<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema" xmlns:cc="http://www.xml-cml.org/dictionary/compchem/" xmlns:cml="http://www.xml-cml.org/schema" xmlns:cmlx="http://www.xml-cml.org/schema/cmlx" xmlns:compchem="http://www.xml-cml.org/dictionary/compchem/" xmlns:convention="http://www.xml-cml.org/convention/" xmlns:g="http://www.iochem-bd.org/dictionary/gaussian/" xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/" xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/" xmlns:si="http://www.xml-cml.org/unit/si/" xmlns:xi="http://www.w3.org/2001/XInclude" xmlns:xsd="http://www.w3.org/2001/XMLSchema" convention="convention:compchem" id="gaussian.log">
<module dictRef="cc:jobList" id="jobList1">
<module cmlx:templateRef="job" dictRef="cc:job" id="job">
<module dictRef="cc:environment" id="environment">
<parameterList>
<parameter dictRef="cc:program">
<scalar dataType="xsd:string">Gaussian 16</scalar>
</parameter>
<parameter dictRef="cc:hostname">
<scalar dataType="xsd:string">GINC-O0033</scalar>
</parameter>
<parameter dictRef="cc:jobname">
<scalar dataType="xsd:string">OSASU81</scalar>
</parameter>
<parameter dictRef="cc:title">
<scalar dataType="xsd:string">Checking optimization</scalar>
</parameter>
<parameter dictRef="cc:version">
<scalar dataType="xsd:string">ES64L-G16RevA.03</scalar>
</parameter>
<parameter dictRef="cc:run.date">
<scalar dataType="xsd:string">11-Dec-2024</scalar>
</parameter>
<parameter dictRef="cc:program">
<scalar dataType="xsd:string">Gaussian 16</scalar>
</parameter>
<parameter dictRef="cc:program.date">
<scalar dataType="xsd:string">25-Dec-2016</scalar>
</parameter>
<parameter dictRef="cc:version">
<scalar dataType="xsd:string">ES64L-G16RevA.03</scalar>
</parameter>
</parameterList>
</module>
<module dictRef="cc:initialization" id="initialization">
<parameterList>
<parameter dictRef="cc:nactiveatoms">
<scalar dataType="xsd:integer">56</scalar>
</parameter>
<parameter dictRef="cc:natoms">
<scalar dataType="xsd:integer">56</scalar>
</parameter>
<parameter dictRef="cc:betae">
<scalar dataType="xsd:integer">96</scalar>
</parameter>
<parameter dictRef="cc:alphae">
<scalar dataType="xsd:integer">96</scalar>
</parameter>
<parameter dictRef="cc:basiscount">
<scalar dataType="xsd:integer">936</scalar>
</parameter>
<parameter dictRef="cc:diffuse">
<scalar dataType="xsd:string">(5D, 7F)</scalar>
</parameter>
<parameter dictRef="cc:basis">
<scalar dataType="xsd:string">def2TZVP</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">162</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C14H32N4O6)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
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<module cmlx:templateRef="l1" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l1.end">
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<module cmlx:templateRef="l101.isotope2">
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<array cmlx:templateRef="iatwgt" dataType="xsd:integer" dictRef="x:x" size="56">12 14 12 12 1 14 1 1 1 16 12 12 1 1 14 1 1 12 12 12 1 1 1 1 1 1 1 1 1 1 16 12 12 1 1 14 1 1 12 12 12 1 1 1 1 1 16 1 1 1 1 16 1 12 16 16</array>
<array cmlx:templateRef="atmwgt" dataType="xsd:double" dictRef="x:x" size="56">12.0000000 14.0030740 12.0000000 12.0000000 1.0078250 14.0030740 1.0078250 1.0078250 1.0078250 15.9949146 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 12.0000000 15.9949146 15.9949146</array>
<array cmlx:templateRef="nucspn" dataType="xsd:integer" dictRef="x:x" size="56">0 2 0 0 1 2 1 1 1 0 0 0 1 1 2 1 1 0 0 0 1 1 1 1 1 1 1 1 1 1 0 0 0 1 1 2 1 1 0 0 0 1 1 1 1 1 0 1 1 1 1 0 1 0 0 0</array>
<array cmlx:templateRef="atzeff" dataType="xsd:double" dictRef="x:x" size="56">-0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000</array>
</module>
<list cmlx:templateRef="rest">
<scalar dataType="xsd:string" dictRef="x:l101">(Enter /usr/local/gaussian/g16a03/g16/l101.exe)</scalar>
</list>
</module>
<module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
<list cmlx:templateRef="berny">
<scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
</list>
<module cmlx:templateRef="l103.init">
<list cmlx:templateRef="length">
<array dataType="xsd:string" dictRef="g:symbol" size="57">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="57">1 1 1 2 2 3 3 4 4 6 9 10 10 11 11 11 12 12 12 15 15 15 18 18 18 19 19 19 20 20 20 30 31 32 32 32 33 33 33 36 36 36 39 39 39 40 40 40 41 41 41 47 51 52 52 54 54</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="57">2 6 8 3 9 4 5 6 7 53 10 11 30 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 31 32 33 34 35 36 37 38 39 40 51 41 42 43 44 45 46 47 48 49 50 52 53 54 55 56</array>
<array dataType="xsd:double" dictRef="cc:distance" size="57">1.3423 1.3384 1.0832 1.3693 1.6849 1.375 1.081 1.3696 1.0812 1.8921 1.0099 1.4097 1.8402 1.5023 1.0964 1.0965 1.5215 1.0892 1.0888 1.4925 1.4951 1.4901 1.0863 1.0859 1.086 1.0865 1.0861 1.0835 1.0856 1.0864 1.0861 0.978 1.4185 1.512 1.0988 1.0966 1.4597 1.1035 1.0936 1.4627 1.4555 1.9973 1.5041 1.0929 1.1025 1.1009 1.0897 1.089 1.4193 1.0964 1.0957 0.9629 0.9797 0.9824 1.43 1.2584 1.2584</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="57">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2</array>
</list>
<list cmlx:templateRef="angle">
<array dataType="xsd:string" dictRef="g:symbol" size="98">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="98">2 2 6 1 1 3 2 2 4 3 3 6 1 1 4 9 9 11 10 10 10 12 12 13 11 11 11 15 15 16 12 12 12 18 18 19 15 15 15 21 21 22 15 15 15 24 24 25 15 15 15 27 27 28 30 31 31 31 33 33 34 32 32 32 36 36 37 33 33 33 39 39 40 36 36 36 41 41 42 36 36 36 44 44 45 39 39 39 47 47 48 41 51 51 53 52 52 55</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="98">1 1 1 2 2 2 3 3 3 4 4 4 6 6 6 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 15 15 15 15 15 15 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 31 32 32 32 32 32 32 33 33 33 33 33 33 36 36 36 36 36 36 39 39 39 39 39 39 40 40 40 40 40 40 41 41 41 41 41 41 47 52 52 52 54 54 54</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="98">6 8 8 3 9 9 4 5 5 6 7 7 4 53 53 11 30 30 12 13 14 13 14 14 15 16 17 16 17 17 18 19 20 19 20 20 21 22 23 22 23 23 24 25 26 25 26 26 27 28 29 28 29 29 32 33 34 35 34 35 35 36 37 38 37 38 38 39 40 51 40 51 51 41 42 43 42 43 43 44 45 46 45 46 46 47 48 49 48 49 49 50 53 54 54 55 56 56</array>
<array dataType="xsd:double" dictRef="cc:angle" size="98">115.3988 122.2643 122.3294 103.3868 118.3974 124.1001 108.7956 121.617 129.5873 109.1644 129.2269 121.607 103.2543 107.024 126.1565 106.6903 97.5155 110.1259 112.5913 111.0872 110.9333 105.3052 110.453 106.1416 116.2403 111.776 108.5393 105.5059 105.8358 108.574 107.5307 110.9943 111.4607 108.3245 109.0563 109.3884 108.6239 108.6457 108.8624 110.1537 110.2171 110.2917 108.0706 108.5102 109.142 110.0702 110.5404 110.4441 109.3093 108.9868 108.164 110.5545 109.721 110.0602 107.7445 107.5952 111.2995 110.2615 109.4247 111.2965 106.9954 113.375 109.8297 108.0801 111.2309 107.6307 106.3784 109.0158 111.6555 111.1478 111.9806 116.4887 96.0916 114.7873 107.2292 111.0291 108.8568 107.9039 106.7269 112.7432 110.1461 110.2514 108.2849 108.2969 106.92 109.2074 107.8213 111.2855 111.0652 110.7579 106.6521 107.9569 104.5036 127.7482 127.7482 120.0 120.0 120.0</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="98">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2</array>
</list>
<list cmlx:templateRef="lll">
<array dataType="xsd:string" dictRef="g:symbol" size="8">A99 A100 A101 A102 A103 A104 A105 A106</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="8">2 10 36 6 2 10 36 6</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="8">9 30 51 53 9 30 51 53</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="8">10 31 52 52 10 31 52 52</array>
<array dataType="xsd:integer" dictRef="g:atom4" size="8">13 4 2 12 13 4 2 12</array>
<array dataType="xsd:integer" dictRef="g:atom5" size="8">-1 -1 -1 -1 -2 -2 -2 -2</array>
<scalar dataType="xsd:double" dictRef="g:lll">173.484</scalar>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="8">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2</array>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">180.6166</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">173.6081</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">172.5848</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">190.8586</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">174.8637</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">184.4378</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">180.612</scalar>
</list>
<list cmlx:templateRef="dihed">
<array dataType="xsd:string" dictRef="g:symbol" size="142">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="142">6 6 8 8 2 2 8 8 1 1 9 9 1 1 3 3 2 2 5 5 3 3 7 7 1 1 4 4 9 9 9 30 30 30 9 11 10 10 10 13 13 13 14 14 14 11 11 11 16 16 16 17 17 17 12 12 12 19 19 19 20 20 20 12 12 12 18 18 18 20 20 20 12 12 12 18 18 18 19 19 19 30 30 30 31 31 31 34 34 34 35 35 35 32 32 32 37 37 37 38 38 38 33 33 33 40 40 40 51 51 51 33 33 33 39 39 39 51 51 51 33 33 39 39 40 40 36 36 36 42 42 42 43 43 43 39 48 49 51 51 53 53</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="142">1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 6 6 6 6 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 31 31 31 32 32 32 32 32 32 32 32 32 33 33 33 33 33 33 33 33 33 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 39 39 39 39 39 39 39 39 39 41 41 41 52 52 52 52</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="142">2 2 2 2 6 6 6 6 3 3 3 3 10 10 10 10 4 4 4 4 6 6 6 6 52 52 52 52 11 11 11 11 11 11 31 31 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 32 32 32 33 33 33 33 33 33 33 33 33 36 36 36 36 36 36 36 36 36 39 39 39 39 39 39 39 39 39 40 40 40 40 40 40 40 40 40 52 52 52 52 52 52 41 41 41 41 41 41 41 41 41 47 47 47 54 54 54 54</array>
<array dataType="xsd:integer" dictRef="g:atom4" size="142">3 9 3 9 4 53 4 53 4 5 4 5 11 30 11 30 6 7 6 7 1 53 1 53 51 54 51 54 12 13 14 12 13 14 32 32 15 16 17 15 16 17 15 16 17 18 19 20 18 19 20 18 19 20 21 22 23 21 22 23 21 22 23 24 25 26 24 25 26 24 25 26 27 28 29 27 28 29 27 28 29 33 34 35 36 37 38 36 37 38 36 37 38 39 40 51 39 40 51 39 40 51 41 42 43 41 42 43 41 42 43 44 45 46 44 45 46 44 45 46 53 54 53 54 53 54 47 48 49 47 48 49 47 48 49 50 50 50 55 56 55 56</array>
<array dataType="xsd:double" dictRef="cc:dihed" size="142">0.0807 141.6902 -178.9419 -37.3323 -0.0888 -135.0022 178.9331 44.0197 -0.0371 179.8168 -138.7583 41.0956 44.151 -67.0869 173.0063 61.7684 -0.014 -179.5422 -179.8525 0.6193 0.0587 123.0595 179.6296 -57.3696 91.7811 -83.189 -27.6809 157.349 -154.23 -36.3991 81.4101 -49.4385 68.3923 -173.7984 3.0992 -107.4211 -61.4747 59.7153 179.4346 177.3348 -61.4752 58.244 63.1493 -175.6607 -55.9415 -163.249 78.4322 -43.771 72.2805 -46.0384 -168.2416 -42.6991 -161.0179 76.7789 -55.9082 -175.7385 64.1251 64.1193 -55.711 -175.8474 -176.9087 63.261 -56.8754 178.2052 58.8707 -61.5346 60.3677 -58.9667 -179.3721 -58.3942 -177.7286 61.866 67.5536 -53.3761 -173.0229 -173.8775 65.1928 -54.454 -55.5708 -176.5005 63.8527 174.3532 54.4784 -64.0984 -162.2612 72.6227 -43.0386 -41.2035 -166.3195 78.0192 76.8383 -48.2777 -163.939 174.7177 -61.0328 44.9894 -60.923 63.3265 169.3488 55.2376 179.4871 -74.4907 -173.0328 -51.9728 64.2622 62.9096 -176.0305 -59.7955 -46.2987 74.7612 -169.0038 -61.9694 59.105 176.8658 60.5994 -178.3261 -60.5653 -177.6116 -56.5372 61.2237 -70.8455 109.9719 161.9487 -17.2339 44.1195 -135.0632 59.7101 -179.5063 -62.8726 -60.4537 60.3299 176.9636 -175.9181 -55.1344 61.4992 -178.5517 62.6659 -55.6536 -68.3189 111.6811 111.6811 -68.3189</array>
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</list>
</module>
</module>
<module cmlx:templateRef="l301.basis" dictRef="g:primbasis">
<module cmlx:templateRef="ernie">
<scalar dataType="xsd:double" dictRef="g:thresh">0.10000e-02</scalar>
<scalar dataType="xsd:double" dictRef="g:tol">0.10000e-05</scalar>
<scalar dataType="xsd:string" dictRef="g:strict">F</scalar>
</module>
<list cmlx:templateRef="symmadaptcart">
<array dataType="xsd:integer" dictRef="cc:adapted" size="1">1056</array>
<array dataType="xsd:string" dictRef="cc:symm" size="1">A</array>
</list>
<list cmlx:templateRef="symmadapt">
<array dataType="xsd:integer" dictRef="cc:adapted" size="1">936</array>
<array dataType="xsd:string" dictRef="cc:symm" size="1">A</array>
</list>
<scalar dataType="xsd:integer" dictRef="g:primbasis">1480</scalar>
<scalar dataType="xsd:integer" dictRef="cc:cartesianbasis">1056</scalar>
<scalar dataType="xsd:double" dictRef="cc:nucrepener">2311.3390823508</scalar>
<scalar dataType="xsd:integer" dictRef="cc:uniqatoms">56</scalar>
<scalar dataType="xsd:double" dictRef="g:sfac">1.00e+00</scalar>
<scalar dataType="xsd:integer" dictRef="g:natfmm">60</scalar>
<scalar dataType="xsd:string" dictRef="g:big">F</scalar>
<scalar dataType="xsd:string" dictRef="g:misc">IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX=  0.000000</scalar>
<scalar dataType="xsd:string" dictRef="g:misc">ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000</scalar>
<scalar dataType="xsd:string" dictRef="g:misc">IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4</scalar>
</module>
<module cmlx:templateRef="l302.basis" dictRef="cc:userDefinedModule">
<list cmlx:templateRef="basis">
<scalar dataType="xsd:string" dictRef="g:basis">NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1</scalar>
<scalar dataType="xsd:string" dictRef="g:basis">NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.</scalar>
<scalar dataType="xsd:string" dictRef="g:basis">One-electron integrals computed using PRISM.</scalar>
<scalar dataType="xsd:string" dictRef="g:basis">One-electron integral symmetry used in STVInt</scalar>
</list>
</module>
<module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
<list cmlx:templateRef="berny">
<scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
</list>
<module cmlx:templateRef="l103.localminsaddle">
<scalar cmlx:templateRef="r" dataType="xsd:string" dictRef="cc:minmaxts">local minimum</scalar>
<array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="9">Step number 105 out of a maximum of 315</array>
<array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="7">All quantities printed in internal units (Hartrees-Bohrs-Radians)</array>
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</module>
<module cmlx:templateRef="rfo">
<list cmlx:templateRef="rfo">
<scalar dataType="xsd:double" dictRef="g:lambda">-1.03726450e-07</scalar>
</list>
</module>
<module cmlx:templateRef="l103.deltas">
<list cmlx:templateRef="delta">
<array dataType="xsd:string" dictRef="cc:variable" size="305">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142</array>
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</list>
</module>
<module cmlx:templateRef="l103.itemconverge">
<list cmlx:templateRef="row">
<array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">|Maximum Force|RMS     Force|Maximum Displacement|RMS     Displacement|</array>
<array dataType="xsd:double" dictRef="g:value" size="4">0.000029 0.000006 0.001599 0.000418</array>
<array dataType="xsd:double" dictRef="g:threshold" size="4">0.000450 0.000300 0.001800 0.001200</array>
<array dataType="xsd:string" dictRef="g:converged" size="4">YES YES YES YES</array>
</list>
</module>
<module cmlx:templateRef="preddelta">
<list cmlx:templateRef="predicted">
<scalar dataType="xsd:double" dictRef="g:predchange">-5.059350e-08</scalar>
</list>
</module>
<module cmlx:templateRef="l103.optimizedparam">
<list cmlx:templateRef="completed">
<scalar dataType="xsd:string" dictRef="g:optimization">Optimization completed.</scalar>
<scalar dataType="xsd:string" dictRef="g:optimization">-- Stationary point found.</scalar>
</list>
<list cmlx:templateRef="length">
<array dataType="xsd:string" dictRef="g:symbol" size="57">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="57">1 1 1 2 2 3 3 4 4 6 9 10 10 11 11 11 12 12 12 15 15 15 18 18 18 19 19 19 20 20 20 30 31 32 32 32 33 33 33 36 36 36 39 39 39 40 40 40 41 41 41 47 51 52 52 54 54</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="57">2 6 8 3 9 4 5 6 7 53 10 11 30 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 31 32 33 34 35 36 37 38 39 40 51 41 42 43 44 45 46 47 48 49 50 52 53 54 55 56</array>
<array dataType="xsd:double" dictRef="cc:distance" size="57">1.3189 1.3466 1.0804 1.3734 1.7613 1.3636 1.0781 1.3681 1.0759 1.0077 0.9942 1.4144 1.8746 1.5024 1.0968 1.0957 1.5208 1.0902 1.0886 1.4938 1.4943 1.4902 1.0863 1.0864 1.0858 1.0864 1.0862 1.0836 1.0854 1.0865 1.086 0.9751 1.4206 1.5115 1.0953 1.0974 1.462 1.1025 1.0927 1.4638 1.4562 1.8656 1.504 1.0925 1.1019 1.0998 1.0888 1.0895 1.4195 1.0961 1.0959 0.963 0.9925 3.1641 1.3791 1.2523 1.2494</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="57">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
</list>
<list cmlx:templateRef="angle">
<array dataType="xsd:string" dictRef="g:symbol" size="98">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="98">2 2 6 1 1 3 2 2 4 3 3 6 1 1 4 9 9 11 10 10 10 12 12 13 11 11 11 15 15 16 12 12 12 18 18 19 15 15 15 21 21 22 15 15 15 24 24 25 15 15 15 27 27 28 30 31 31 31 33 33 34 32 32 32 36 36 37 33 33 33 39 39 40 36 36 36 41 41 42 36 36 36 44 44 45 39 39 39 47 47 48 41 51 51 53 52 52 55</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="98">1 1 1 2 2 2 3 3 3 4 4 4 6 6 6 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 15 15 15 15 15 15 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 31 32 32 32 32 32 32 33 33 33 33 33 33 36 36 36 36 36 36 39 39 39 39 39 39 40 40 40 40 40 40 41 41 41 41 41 41 47 52 52 52 54 54 54</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="98">6 8 8 3 9 9 4 5 5 6 7 7 4 53 53 11 30 30 12 13 14 13 14 14 15 16 17 16 17 17 18 19 20 19 20 20 21 22 23 22 23 23 24 25 26 25 26 26 27 28 29 28 29 29 32 33 34 35 34 35 35 36 37 38 37 38 38 39 40 51 40 51 51 41 42 43 42 43 43 44 45 46 45 46 46 47 48 49 48 49 49 50 53 54 54 55 56 56</array>
<array dataType="xsd:double" dictRef="cc:angle" size="98">110.9297 126.4241 122.6283 105.6824 121.0861 123.6585 110.0179 121.6473 128.3348 105.3355 132.6013 122.0622 108.0336 125.6691 126.2857 107.046 93.7468 111.7348 112.6797 111.0049 110.709 105.2042 110.7187 106.2027 116.4549 111.6964 108.5192 105.582 105.7261 108.4734 107.4419 111.2003 111.3768 108.3226 108.9534 109.4534 108.6401 108.5558 108.8629 110.2153 110.1932 110.3252 108.1536 108.5143 109.2444 110.0988 110.4036 110.3697 109.3781 108.9546 108.178 110.5497 109.6423 110.0944 106.4704 108.1581 110.6198 110.2295 109.5463 111.3099 106.9895 113.2789 109.4472 108.2075 111.1833 107.8907 106.556 109.6682 111.823 109.0206 112.0833 113.5396 100.4371 114.607 107.1124 111.0361 109.0071 107.7929 107.0191 112.5952 110.1023 110.3665 108.1566 108.3587 107.0764 109.2026 107.8102 111.2066 111.0902 110.7892 106.6899 107.8652 111.2659 107.6289 124.6905 117.1475 114.7011 128.1513</array>
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</list>
<list cmlx:templateRef="lll">
<array dataType="xsd:string" dictRef="g:symbol" size="7">A99 A100 A101 A102 A103 A104 A105</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="7">2 10 36 6 2 10 36</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="7">9 30 51 53 9 30 51</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="7">10 31 52 52 10 31 52</array>
<array dataType="xsd:integer" dictRef="g:atom4" size="7">13 4 2 12 13 4 2</array>
<array dataType="xsd:integer" dictRef="g:atom5" size="7">-1 -1 -1 -1 -2 -2 -2</array>
<scalar dataType="xsd:double" dictRef="g:lll">172.8636</scalar>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="7">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">174.2268</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">168.3794</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">95.8897</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">193.3994</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">166.6255</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">187.92</scalar>
</list>
<list cmlx:templateRef="dihed">
<array dataType="xsd:string" dictRef="g:symbol" size="141">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="141">6 6 8 8 2 2 8 8 1 1 9 9 1 1 3 3 2 2 5 5 3 3 7 7 1 1 4 4 9 9 9 30 30 30 9 11 10 10 10 13 13 13 14 14 14 11 11 11 16 16 16 17 17 17 12 12 12 19 19 19 20 20 20 12 12 12 18 18 18 20 20 20 12 12 12 18 18 18 19 19 19 30 30 30 31 31 31 34 34 34 35 35 35 32 32 32 37 37 37 38 38 38 33 33 33 40 40 40 51 51 51 33 33 33 39 39 39 51 51 51 33 33 39 39 40 40 36 36 36 42 42 42 43 43 43 39 48 49 51 51 53</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="141">1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 6 6 6 6 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 31 31 31 32 32 32 32 32 32 32 32 32 33 33 33 33 33 33 33 33 33 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 39 39 39 39 39 39 39 39 39 41 41 41 52 52 52</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="141">2 2 2 2 6 6 6 6 3 3 3 3 10 10 10 10 4 4 4 4 6 6 6 6 52 52 52 52 11 11 11 11 11 11 31 31 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 32 32 32 33 33 33 33 33 33 33 33 33 36 36 36 36 36 36 36 36 36 39 39 39 39 39 39 39 39 39 40 40 40 40 40 40 40 40 40 52 52 52 52 52 52 41 41 41 41 41 41 41 41 41 47 47 47 54 54 54</array>
<array dataType="xsd:integer" dictRef="g:atom4" size="141">3 9 3 9 4 53 4 53 4 5 4 5 11 30 11 30 6 7 6 7 1 53 1 53 51 54 51 54 12 13 14 12 13 14 32 32 15 16 17 15 16 17 15 16 17 18 19 20 18 19 20 18 19 20 21 22 23 21 22 23 21 22 23 24 25 26 24 25 26 24 25 26 27 28 29 27 28 29 27 28 29 33 34 35 36 37 38 36 37 38 36 37 38 39 40 51 39 40 51 39 40 51 41 42 43 41 42 43 41 42 43 44 45 46 44 45 46 44 45 46 53 54 53 54 53 54 47 48 49 47 48 49 47 48 49 50 50 50 55 56 55</array>
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</list>
</module>
<scalar dictRef="l103.converged.count">1</scalar>
</module>
</module>
</module>
<module dictRef="cc:calculation" id="calculation">
<module dictRef="cc:userDefinedModule" id="otherComponents">
<module cmlx:templateRef="l301">
<module cmlx:templateRef="l301.pcm.standard">
<scalar dataType="xsd:string" dictRef="g:model">PCM</scalar>
<scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
<scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
<scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
<scalar dataType="xsd:string" dictRef="g:solutionmethod">Iterative solution</scalar>
<scalar dataType="xsd:string" dictRef="g:solvent">Ethanol</scalar>
<scalar dataType="xsd:double" dictRef="g:eps">24.852000</scalar>
<scalar dataType="xsd:double" dictRef="g:epsinfinity">1.852593</scalar>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.044209" y3="2.665886" z3="0.083046">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.966942" y3="2.719654" z3="-0.890279">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.222534" y3="2.918473" z3="-2.022199">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.106519" y3="2.975016" z3="-1.67414">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.683844" y3="3.003944" z3="-2.996125">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.223708" y3="2.813498" z3="-0.319175">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="1.972342" y3="3.126489" z3="-2.303719">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.307059" y3="2.498028" z3="1.120402">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-2.28876" y3="1.678777" z3="-0.79971">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a10" x3="-2.940475" y3="0.922134" z3="-0.649269">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-3.297964" y3="0.9607" z3="0.713774">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a12" x3="-3.732238" y3="-0.379844" z3="1.234675">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a13" x3="-2.444161" y3="1.250797" z3="1.337467">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a14" x3="-4.076046" y3="1.712023" z3="0.893593">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a15" x3="-4.958933" y3="-0.992608" z3="0.575251">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a16" x3="-2.945066" y3="-1.126148" z3="1.135719">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a17" x3="-3.982062" y3="-0.277033" z3="2.289422">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-5.459691" y3="-2.073734" z3="1.474099">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.609338" y3="-1.602613" z3="-0.744181">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-6.036675" y3="0.018259" z3="0.382862">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a21" x3="-4.651862" y3="-2.777478" z3="1.653742">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a22" x3="-6.290346" y3="-2.574384" z3="0.985639">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a23" x3="-5.78546" y3="-1.629427" z3="2.410019">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a24" x3="-5.508527" y3="-2.051987" z3="-1.156564">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-3.852517" y3="-2.364559" z3="-0.582094">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-4.233318" y3="-0.830093" z3="-1.404281">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-5.716613" y3="0.748414" z3="-0.354021">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-6.2422" y3="0.501185" z3="1.334045">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="-6.924284" y3="-0.496695" z3="0.027027">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-1.77296" y3="-0.466225" z3="-0.958622">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a31" x3="-1.141524" y3="-1.209009" z3="-1.036549">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a32" x3="0.148035" y3="-0.659261" z3="-1.2532">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="1.140448" y3="-1.799818" z3="-1.232836">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
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</property>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a56" x3="4.211898" y3="1.431401" z3="2.651849">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0442,2.6659,.083;-.9669,2.7197,-.8903;-.2225,2.9185,-2.0222;1.1065,2.975,-1.6741;-.6838,3.0039,-2.9961;1.2237,2.8135,-.3192;1.9723,3.1265,-2.3037;-.3071,2.498,1.1204;-2.2888,1.6788,-.7997;-2.9405,.9221,-.6493;-3.298,.9607,.7138;-3.7322,-.3798,1.2347;-2.4442,1.2508,1.3375;-4.076,1.712,.8936;-4.9589,-.9926,.5753;-2.9451,-1.1261,1.1357;-3.9821,-.277,2.2894;-5.4597,-2.0737,1.4741;-4.6093,-1.6026,-.7442;-6.0367,.0183,.3829;-4.6519,-2.7775,1.6537;-6.2903,-2.5744,.9856;-5.7855,-1.6294,2.41;-5.5085,-2.052,-1.1566;-3.8525,-2.3646,-.5821;-4.2333,-.8301,-1.4043;-5.7166,.7484,-.354;-6.2422,.5012,1.334;-6.9243,-.4967,.027;-1.773,-.4662,-.9586;-1.1415,-1.209,-1.0365;.148,-.6593,-1.2532;1.1404,-1.7998,-1.2328;.4092,.0664,-.4706;.1767,-.1234,-2.2096;2.5192,-1.3643,-1.0323;1.0407,-2.3993,-2.1539;.8786,-2.4628,-.4035;3.3769,-2.542,-.9024;2.9643,-.4814,-2.1004;4.8028,-2.2453,-.5271;2.935,-3.1811,-.1339;3.3871,-3.1288,-1.8357;2.9589,-.9703,-3.0867;2.3235,.3986,-2.1514;3.9743,-.1268,-1.9;4.8264,-1.5713,.7217;5.3403,-3.1992,-.4703;5.3017,-1.6494,-1.2995;5.744,-1.3702,.9332;2.6412,-.008,.4286;2.6603,.7449,1.0552;2.2428,1.4855,.5627;3.1795,.7622,2.3875;2.604,.1081,3.2955;4.2119,1.4314,2.6518;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2774130 0.1058615 0.0994070</array>
</module>
</module>
<module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
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<module cmlx:templateRef="l601.state">
<scalar dataType="xsd:string" dictRef="g:l601.state">1-A.</scalar>
</module>
<list cmlx:templateRef="multipole" dictRef="cc:multipole">
<array dataType="xsd:double" dictRef="cc:dipole" size="3">-25.2990 -13.7942 -6.8590</array>
<scalar dataType="xsd:double" dictRef="x:dipole">29.6204</scalar>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-50.0242 -163.5282 -176.9242</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-1.7901 -65.8614 -2.6321</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="6">80.1346 -33.3693 -46.7653 -1.7901 -65.8614 -2.6321</array>
<array dataType="xsd:double" dictRef="cc:octapole" size="10">-629.8594 -149.1918 -106.4512 -53.5728 -249.7852 -60.7033 -152.8289 -32.6280 12.4923 -14.7087</array>
<array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-6174.4006 -3239.1229 -2452.6006 83.2867 -969.2799 -21.9731 49.2192 -448.2118 -60.9472 -1970.2140 -2282.8754 -862.3123 -193.1022 -126.4131 -65.3577</array>
</list>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.001273" y3="2.658531" z3="0.170783">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.930469" y3="2.737021" z3="-0.792643">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.195875" y3="2.959869" z3="-1.92748">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.13618" y3="3.002497" z3="-1.595132">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.6666" y3="3.070635" z3="-2.893994">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.263187" y3="2.813718" z3="-0.244035">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
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<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
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</module>
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<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
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<bondArray/>
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</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3071343 0.1063931 0.0992523</array>
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</module>
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<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2993362 0.1070685 0.0988907</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.052289" y3="2.597266" z3="0.199033">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.903545" y3="2.714547" z3="-0.726364">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
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</property>
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</property>
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</property>
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</atom>
</atomArray>
<bondArray/>
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<property dictRef="cml:molmass">
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</property>
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2987535 0.1057970 0.0962679</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</atom>
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</atom>
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</atom>
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</atom>
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</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
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<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0903,2.5947,.1937;-.8507,2.6982,-.7493;-.1371,2.9644,-1.8895;1.201,2.9861,-1.5841;-.6249,3.1065,-2.8431;1.35,2.7517,-.2422;2.0517,3.1622,-2.2266;-.1357,2.3571,1.2257;-2.168,1.614,-.6831;-2.8689,.8964,-.5735;-3.2466,.8965,.7839;-3.8318,-.4187,1.2122;-2.3799,1.0556,1.4363;-3.945,1.7142,.9974;-5.1064,-.8477,.5028;-3.1279,-1.2387,1.0736;-4.0871,-.357,2.2687;-5.7194,-1.9476,1.3047;-4.811,-1.3729,-.8658;-6.0764,.2793,.4028;-4.9892,-2.7441,1.4177;-6.595,-2.3145,.7774;-6.0021,-1.5565,2.2776;-5.7465,-1.7009,-1.3101;-4.1279,-2.2122,-.7728;-4.3628,-.5849,-1.4592;-5.6818,1.0349,-.2696;-6.2356,.6966,1.3931;-7.0097,-.1112,.0075;-1.8114,-.6025,-.8956;-1.1973,-1.3655,-.8767;.0922,-.8486,-1.1561;1.112,-1.944,-.9479;.3228,-.0119,-.4894;.1286,-.4646,-2.1823;2.4855,-1.4285,-.9043;1.0107,-2.7138,-1.7295;.9062,-2.4335,.007;3.3991,-2.527,-.5672;2.8657,-.8087,-2.1712;4.819,-2.0894,-.3708;3.0253,-2.9899,.3486;3.3885,-3.3014,-1.3501;2.8356,-1.5223,-3.0053;2.1976,.0207,-2.399;3.8736,-.4024,-2.0968;4.8762,-1.1172,.6609;5.3997,-2.9854,-.122;5.2352,-1.6884,-1.3029;5.7894,-.8243,.7437;2.5833,-.0586,.1263;2.7086,.7523,.7336;2.3034,1.6508,.4029;3.3782,.6292,2.1611;2.8667,-.2723,2.8256;4.1169,1.5852,2.3989;</scalar>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3043154 0.1058499 0.0973295</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
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<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
<atom elementType="O" id="a47" x3="5.030779" y3="-1.199543" z3="0.59166">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a48" x3="5.481679" y3="-2.999351" z3="-0.369614">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
<atom elementType="H" id="a51" x3="2.680958" y3="-0.174154" z3="0.279231">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a53" x3="2.222197" y3="1.532003" z3="0.413622">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="3.244423" y3="0.686344" z3="2.303412">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a55" x3="2.883689" y3="-0.310417" z3="2.887694">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a56" x3="3.875082" y3="1.696686" z3="2.513469">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0648,2.4981,.1587;-.8543,2.6418,-.801;-.1087,2.8175,-1.938;1.2229,2.7815,-1.6099;-.5729,2.9605,-2.9031;1.3381,2.5882,-.2579;2.0918,2.8966,-2.2413;-.1897,2.3084,1.1936;-2.2456,1.6579,-.7282;-2.9131,.9143,-.6067;-3.3673,.9792,.7262;-3.9155,-.3339,1.211;-2.5461,1.2207,1.4117;-4.1114,1.7749,.8482;-5.1237,-.8856,.4687;-3.1654,-1.1222,1.1674;-4.2324,-.2156,2.2458;-5.7132,-1.9676,1.3119;-4.7228,-1.482,-.843;-6.1549,.1664,.2422;-4.9443,-2.7078,1.5146;-6.5359,-2.4218,.7671;-6.0712,-1.5337,2.2409;-5.611,-1.9019,-1.307;-3.9932,-2.2649,-.6573;-4.2953,-.7086,-1.4696;-5.7733,.8995,-.4616;-6.3929,.6377,1.1917;-7.039,-.3108,-.17;-1.7676,-.5413,-.7784;-1.1296,-1.2824,-.8023;.1515,-.7177,-1.0235;1.1723,-1.8296,-.9375;.3773,.0506,-.2729;.1829,-.2314,-2.0058;2.5527,-1.3365,-.8677;1.055,-2.5166,-1.7894;.9808,-2.4108,-.0327;3.4601,-2.4744,-.6692;2.9024,-.5752,-2.0683;4.9018,-2.0802,-.5143;3.123,-3.0053,.2236;3.3871,-3.1801,-1.51;2.8419,-1.1867,-2.9779;2.2362,.2786,-2.1794;3.9136,-.1831,-1.9796;5.0308,-1.1995,.5917;5.4817,-2.9994,-.3696;5.2815,-1.6101,-1.4282;5.9524,-.9272,.6522;2.681,-.1742,.2792;2.6858,.6901,.8186;2.2222,1.532,.4136;3.2444,.6863,2.3034;2.8837,-.3104,2.8877;3.8751,1.6967,2.5135;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3126200 0.1047255 0.0977252</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.032281" y3="2.506004" z3="0.212273">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.897288" y3="2.688325" z3="-0.729182">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.16727" y3="2.977309" z3="-1.853786">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.167722" y3="2.95675" z3="-1.538546">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.644084" y3="3.18022" z3="-2.801749">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.29886" y3="2.654285" z3="-0.208231">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="2.028064" y3="3.144175" z3="-2.164171">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.206299" y3="2.226336" z3="1.230213">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-2.245266" y3="1.630814" z3="-0.717048">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a10" x3="-2.90355" y3="0.879569" z3="-0.603043">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-3.376339" y3="0.943035" z3="0.723828">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a12" x3="-3.936968" y3="-0.369302" z3="1.194777">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</property>
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="2.697571" y3="-0.091667" z3="0.144012">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a52" x3="2.729998" y3="0.76287" z3="0.708354">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a53" x3="2.23358" y3="1.619867" z3="0.345386">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="3.25142" y3="0.665608" z3="2.216751">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a55" x3="3.031318" y3="-0.432363" z3="2.668246">
<property dictRef="g:atomicType">
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</property>
</atom>
<atom elementType="O" id="a56" x3="3.725611" y3="1.721284" z3="2.556268">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0323,2.506,.2123;-.8973,2.6883,-.7292;-.1673,2.9773,-1.8538;1.1677,2.9567,-1.5385;-.6441,3.1802,-2.8017;1.2989,2.6543,-.2082;2.0281,3.1442,-2.1642;-.2063,2.2263,1.2302;-2.2453,1.6308,-.717;-2.9036,.8796,-.603;-3.3763,.943,.7238;-3.937,-.3693,1.1948;-2.5639,1.1762,1.4224;-4.1182,1.742,.8393;-5.1406,-.9056,.4363;-3.1913,-1.1623,1.1537;-4.2643,-.2558,2.2268;-5.7388,-1.9991,1.2591;-4.7335,-1.48,-.8834;-6.165,.1553,.2217;-4.9746,-2.7461,1.4545;-6.5605,-2.4409,.7029;-6.1002,-1.5785,2.1929;-5.619,-1.8932,-1.3582;-4.0035,-2.2649,-.708;-4.3041,-.6958,-1.4953;-5.7743,.8992,-.4656;-6.407,.6103,1.1782;-7.0487,-.3097,-.2051;-1.7544,-.5871,-.7443;-1.1135,-1.3242,-.7041;.161,-.7792,-1.0035;1.1947,-1.8638,-.8;.3876,.0699,-.3471;.177,-.4074,-2.0348;2.5745,-1.3597,-.84;1.0573,-2.6636,-1.5428;1.0388,-2.3135,.1836;3.4895,-2.4607,-.4979;2.8823,-.7728,-2.1471;4.9469,-2.0848,-.4744;3.1883,-2.8271,.4861;3.3665,-3.2958,-1.2026;2.8066,-1.5073,-2.9588;2.2004,.0485,-2.357;3.8874,-.3578,-2.1444;5.1457,-1.02,.4417;5.5157,-2.9756,-.1818;5.2987,-1.8064,-1.4729;6.0755,-.7716,.411;2.6976,-.0917,.144;2.73,.7629,.7084;2.2336,1.6199,.3454;3.2514,.6656,2.2168;3.0313,-.4324,2.6682;3.7256,1.7213,2.5563;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3126993 0.1047934 0.0962074</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.091864" y3="2.569105" z3="0.119734">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.859603" y3="2.635328" z3="-0.812827">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.15815" y3="2.791495" z3="-1.981889">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.18553" y3="2.792202" z3="-1.70211">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.659346" y3="2.884694" z3="-2.934317">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.346901" y3="2.651501" z3="-0.348627">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="2.031414" y3="2.889836" z3="-2.366678">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.120227" y3="2.414592" z3="1.1697">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-2.192269" y3="1.555724" z3="-0.629033">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a10" x3="-2.867912" y3="0.819248" z3="-0.533263">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-3.428816" y3="0.933351" z3="0.755459">
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</property>
</atom>
<atom elementType="C" id="a12" x3="-4.067448" y3="-0.347609" z3="1.210506">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</atom>
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</atom>
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</property>
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</property>
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</property>
</atom>
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</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
<atom elementType="O" id="a56" x3="3.641576" y3="1.87721" z3="2.590536">
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0919,2.5691,.1197;-.8596,2.6353,-.8128;-.1582,2.7915,-1.9819;1.1855,2.7922,-1.7021;-.6593,2.8847,-2.9343;1.3469,2.6515,-.3486;2.0314,2.8898,-2.3667;-.1202,2.4146,1.1697;-2.1923,1.5557,-.629;-2.8679,.8192,-.5333;-3.4288,.9334,.7555;-4.0674,-.3476,1.2105;-2.6579,1.1505,1.5043;-4.146,1.7614,.8036;-5.2466,-.8425,.3904;-3.3536,-1.1709,1.2263;-4.4517,-.2042,2.2187;-5.9299,-1.9049,1.1876;-4.7955,-1.4385,-.905;-6.2128,.2585,.1186;-5.2085,-2.6814,1.4255;-6.7403,-2.3169,.5936;-6.3194,-1.4619,2.0996;-5.6709,-1.821,-1.4227;-4.105,-2.2492,-.6916;-4.3073,-.6738,-1.4973;-5.7545,.9822,-.5483;-6.4865,.7278,1.0594;-7.0912,-.1707,-.3542;-1.7603,-.6917,-.5323;-1.1054,-1.409,-.43;.1457,-.8748,-.8316;1.2126,-1.9056,-.5427;.371,.0451,-.2819;.1191,-.6209,-1.8973;2.5816,-1.3978,-.7241;1.0482,-2.7998,-1.1616;1.1202,-2.2199,.5005;3.5221,-2.4454,-.2915;2.8211,-.9746,-2.1057;4.9821,-2.129,-.4863;3.3202,-2.6281,.7664;3.3157,-3.3831,-.8259;2.7178,-1.8009,-2.8195;2.1198,-.1891,-2.3774;3.8199,-.5538,-2.1986;5.3014,-.9048,.1521;5.5622,-2.9582,-.064;5.2341,-2.0858,-1.5509;6.2295,-.7179,-.0241;2.7163,-.02,.1576;2.8685,.8731,.6597;2.3393,1.7233,.286;3.297,.7872,2.1946;3.1883,-.3444,2.6101;3.6416,1.8772,2.5905;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3179966 0.1022138 0.0939499</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.0383" y3="2.563085" z3="0.11812">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.898915" y3="2.662746" z3="-0.824088">
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</property>
</atom>
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</property>
</atom>
<atom elementType="C" id="a4" x3="1.161152" y3="2.786252" z3="-1.686072">
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</property>
</atom>
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</property>
</atom>
<atom elementType="N" id="a6" x3="1.299958" y3="2.632283" z3="-0.331966">
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</property>
</atom>
<atom elementType="H" id="a7" x3="2.018644" y3="2.8676" z3="-2.337662">
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</property>
</atom>
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</property>
</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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<bondArray/>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3194737 0.1022313 0.0936291</array>
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</module>
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<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<module cmlx:templateRef="l202.orient">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3219684 0.1038364 0.0953983</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.061139" y3="2.518903" z3="0.121014">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.854959" y3="2.642671" z3="-0.844169">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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<bondArray/>
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<property dictRef="cml:molmass">
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</property>
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3215573 0.1049609 0.0973598</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0689,2.5069,.2253;-.8225,2.6745,-.7558;-.0493,2.8511,-1.8739;1.2741,2.7833,-1.5222;-.4903,3.0158,-2.8461;1.3481,2.5687,-.172;2.161,2.8785,-2.131;-.2098,2.314,1.2528;-2.1441,1.5555,-.7238;-2.7554,.7693,-.6124;-3.3839,.8976,.6433;-4.0192,-.3868,1.0942;-2.66,1.1553,1.4259;-4.1213,1.7082,.6307;-5.1257,-.9443,.2124;-3.2887,-1.189,1.1862;-4.4728,-.2213,2.0699;-5.8666,-1.9652,1.0104;-4.5624,-1.619,-.9977;-6.0756,.1244,-.2082;-5.1607,-2.7158,1.3544;-6.6186,-2.422,.3733;-6.3383,-1.4764,1.8575;-5.3879,-2.0451,-1.5608;-3.8889,-2.4065,-.6706;-4.0292,-.8895,-1.5954;-5.5684,.8124,-.8772;-6.4335,.6458,.6752;-6.9056,-.3454,-.7274;-1.5434,-.6474,-.5547;-.8597,-1.345,-.4887;.3736,-.7638,-.8796;1.4596,-1.7911,-.6621;.5913,.125,-.2778;.3279,-.4443,-1.9276;2.8123,-1.2378,-.7703;1.3281,-2.6351,-1.3576;1.3504,-2.1949,.3472;3.7764,-2.2858,-.3993;3.0725,-.691,-2.0961;5.2193,-1.8633,-.4288;3.5209,-2.6128,.6105;3.6626,-3.1586,-1.0589;3.0115,-1.4536,-2.8847;2.3524,.0933,-2.3238;4.0617,-.2389,-2.1265;5.3949,-.7579,.4442;5.8228,-2.7185,-.1048;5.5425,-1.6151,-1.4459;6.3221,-.499,.4142;2.9316,.0825,.2965;2.898,.9104,.8953;2.3092,1.7139,.4511;2.4329,.5716,2.3044;2.5028,-.6259,2.5262;2.0891,1.5727,2.9092;</scalar>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3272026 0.1071389 0.0995928</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
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<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a47" x3="5.407156" y3="-0.747295" z3="0.415068">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a48" x3="5.838449" y3="-2.684893" z3="-0.213992">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="5.515278" y3="-1.534927" z3="-1.504233">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="2.931694" y3="0.093666" z3="0.318136">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a53" x3="2.267952" y3="1.716469" z3="0.481696">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="2.465733" y3="0.558624" z3="2.318612">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a55" x3="2.57863" y3="-0.636879" z3="2.545749">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a56" x3="2.102751" y3="1.541299" z3="2.945304">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0548,2.5246,.2067;-.8208,2.6604,-.7917;-.0317,2.7875,-1.9061;1.2866,2.7161,-1.5348;-.4582,2.919,-2.8898;1.34,2.546,-.1771;2.1825,2.7736,-2.1345;-.2384,2.3713,1.2363;-2.1373,1.5281,-.7269;-2.7524,.7472,-.6035;-3.3956,.9149,.6396;-4.045,-.3546,1.1095;-2.6799,1.1833,1.4263;-4.1262,1.7308,.5973;-5.129,-.9268,.211;-3.319,-1.1561,1.238;-4.522,-.1647,2.0695;-5.8818,-1.9453,1.0017;-4.5337,-1.6061,-.9813;-6.0728,.1345,-.2396;-5.1791,-2.6855,1.3738;-6.6127,-2.4167,.3511;-6.38,-1.4503,1.83;-5.3435,-2.0378,-1.5628;-3.8655,-2.3889,-.6332;-3.9883,-.8774,-1.5693;-5.5521,.82,-.9011;-6.4538,.6604,.6314;-6.8884,-.3427,-.7746;-1.5595,-.681,-.4932;-.8745,-1.3763,-.4283;.3498,-.7794,-.8225;1.4534,-1.7959,-.6399;.5649,.1036,-.2113;.2871,-.4462,-1.8654;2.7969,-1.2203,-.7656;1.3219,-2.6262,-1.3513;1.3676,-2.2228,.3618;3.7819,-2.2644,-.4448;3.0153,-.6525,-2.091;5.2189,-1.824,-.4899;3.5469,-2.6233,.5597;3.6681,-3.1191,-1.1279;2.9481,-1.4068,-2.8868;2.2778,.1226,-2.2914;3.9961,-.1833,-2.1412;5.4072,-.7473,.4151;5.8384,-2.6849,-.214;5.5153,-1.5349,-1.5042;6.3324,-.4831,.3743;2.9317,.0937,.3181;2.9073,.9233,.9174;2.268,1.7165,.4817;2.4657,.5586,2.3186;2.5786,-.6369,2.5457;2.1028,1.5413,2.9453;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3296581 0.1067943 0.0997860</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.064512" y3="2.527215" z3="0.179372">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.80799" y3="2.654168" z3="-0.819389">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.018425" y3="2.766637" z3="-1.936299">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.30001" y3="2.690968" z3="-1.564899">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.443972" y3="2.888448" z3="-2.921483">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.350638" y3="2.535559" z3="-0.205149">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="2.196839" y3="2.733556" z3="-2.163557">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.227327" y3="2.380947" z3="1.209641">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-2.102049" y3="1.481352" z3="-0.72736">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a10" x3="-2.723591" y3="0.70728" z3="-0.603315">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-3.369839" y3="0.89506" z3="0.635228">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a12" x3="-4.049555" y3="-0.358756" z3="1.105587">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a13" x3="-2.649144" y3="1.144575" z3="1.42353">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</property>
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</property>
</atom>
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</property>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="2.92699" y3="0.106352" z3="0.329333">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a52" x3="2.914127" y3="0.955828" z3="0.905568">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a53" x3="2.242903" y3="1.754097" z3="0.439229">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="2.468089" y3="0.600176" z3="2.296348">
<property dictRef="g:atomicType">
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</property>
</atom>
<atom elementType="O" id="a55" x3="2.589275" y3="-0.590605" z3="2.556347">
<property dictRef="g:atomicType">
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</property>
</atom>
<atom elementType="O" id="a56" x3="2.101158" y3="1.583155" z3="2.923825">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0645,2.5272,.1794;-.808,2.6542,-.8194;-.0184,2.7666,-1.9363;1.3,2.691,-1.5649;-.444,2.8884,-2.9215;1.3506,2.5356,-.2051;2.1968,2.7336,-2.1636;-.2273,2.3809,1.2096;-2.102,1.4814,-.7274;-2.7236,.7073,-.6033;-3.3698,.8951,.6352;-4.0496,-.3588,1.1056;-2.6491,1.1446,1.4235;-4.0802,1.7289,.5899;-5.1507,-.9015,.2101;-3.343,-1.1771,1.2384;-4.5241,-.1549,2.0638;-5.9278,-1.8983,1.0051;-4.5856,-1.5972,-.9883;-6.064,.1884,-.2331;-5.2438,-2.6547,1.3795;-6.6711,-2.3539,.3576;-6.4123,-1.3873,1.832;-5.4142,-1.9989,-1.565;-3.9428,-2.4033,-.6463;-4.0199,-.8862,-1.5784;-5.5255,.859,-.8961;-6.4242,.7235,.641;-6.8968,-.2629,-.7642;-1.5688,-.7487,-.4706;-.884,-1.4407,-.3874;.3349,-.8278,-.7715;1.4573,-1.8265,-.5964;.5348,.0566,-.1567;.2694,-.4939,-1.8138;2.7929,-1.2272,-.7325;1.3373,-2.6537,-1.3128;1.3856,-2.2614,.4025;3.7909,-2.2633,-.4313;2.9881,-.6731,-2.0698;5.2256,-1.8188,-.5015;3.5683,-2.6295,.5744;3.6746,-3.1141,-1.1189;2.9288,-1.4415,-2.8522;2.2374,.0864,-2.2748;3.9605,-.1874,-2.1373;5.4441,-.7512,.4057;5.8505,-2.6854,-.2559;5.4963,-1.5177,-1.5194;6.3711,-.4972,.345;2.927,.1064,.3293;2.9141,.9558,.9056;2.2429,1.7541,.4392;2.4681,.6002,2.2963;2.5893,-.5906,2.5563;2.1012,1.5832,2.9238;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3306243 0.1064219 0.0993965</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.036447" y3="2.544938" z3="0.212375">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.798374" y3="2.73033" z3="-0.798917">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="0.021861" y3="2.835487" z3="-1.898306">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.32756" y3="2.692242" z3="-1.503322">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.373737" y3="2.998728" z3="-2.889215">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.334404" y3="2.511056" z3="-0.14477">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="2.241049" y3="2.706667" z3="-2.074874">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.27792" y3="2.378783" z3="1.23095">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-2.061589" y3="1.468948" z3="-0.720837">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a10" x3="-2.667933" y3="0.68938" z3="-0.599434">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-3.322369" y3="0.895288" z3="0.632431">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</property>
</atom>
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</atom>
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</atom>
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</property>
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
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</property>
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</atom>
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</atom>
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<property dictRef="g:atomicType">
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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<property dictRef="g:atomicType">
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0364,2.5449,.2124;-.7984,2.7303,-.7989;.0219,2.8355,-1.8983;1.3276,2.6922,-1.5033;-.3737,2.9987,-2.8892;1.3344,2.5111,-.1448;2.241,2.7067,-2.0749;-.2779,2.3788,1.2309;-2.0616,1.4689,-.7208;-2.6679,.6894,-.5994;-3.3224,.8953,.6324;-4.0128,-.3556,1.0936;-2.6025,1.1262,1.4274;-4.0195,1.7402,.5821;-5.0818,-.9052,.1679;-3.3034,-1.1678,1.2514;-4.5175,-.1509,2.0358;-5.8644,-1.9148,.9418;-4.4809,-1.5859,-1.0235;-5.9913,.1805,-.2904;-5.1803,-2.6623,1.333;-6.5853,-2.3807,.2773;-6.3756,-1.4099,1.7568;-5.2928,-1.9901,-1.6224;-3.8375,-2.3868,-.672;-3.9099,-.8641,-1.5953;-5.4412,.8574,-.9383;-6.3748,.7088,.5776;-6.8098,-.2739,-.8411;-1.586,-.812,-.4442;-.9157,-1.5113,-.3531;.2968,-.8593,-.6856;1.4473,-1.8377,-.5825;.4776,-.0123,-.0131;.2272,-.4642,-1.7059;2.7701,-1.1884,-.6951;1.348,-2.6153,-1.3536;1.4005,-2.3404,.3846;3.7818,-2.2279,-.4686;2.9363,-.6065,-2.032;5.2163,-1.7878,-.5544;3.569,-2.6491,.52;3.6612,-3.0398,-1.2013;2.9064,-1.3718,-2.818;2.162,.1281,-2.2264;3.8907,-.0834,-2.1019;5.4993,-.774,.3906;5.8356,-2.6793,-.3938;5.4514,-1.4321,-1.5634;6.4328,-.5538,.3081;2.8831,.1552,.374;2.8813,1.0109,.9503;2.0915,1.8561,.4241;2.3665,.5603,2.2335;2.4991,-.6414,2.4908;1.9347,1.4741,2.9381;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3328511 0.1088293 0.1010267</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.012972" y3="2.575969" z3="0.240188">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.841579" y3="2.832996" z3="-0.750862">
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</atom>
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</property>
</atom>
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</atom>
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</property>
</atom>
<atom elementType="N" id="a6" x3="1.285277" y3="2.543205" z3="-0.131398">
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</property>
</atom>
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</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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</atomArray>
<bondArray/>
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<property dictRef="cml:molmass">
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</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3249019 0.1097076 0.1009163</array>
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</module>
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<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3127314 0.1090305 0.0993218</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.051756" y3="2.643042" z3="0.268541">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.903606" y3="2.91162" z3="-0.691657">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
</atomArray>
<bondArray/>
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<property dictRef="cml:molmass">
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</property>
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3129956 0.1068336 0.0978881</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</atom>
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</atom>
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</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
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</property>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3112441 0.1075729 0.0983090</array>
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</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
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<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a48" x3="5.884408" y3="-2.751588" z3="-0.478146">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<property dictRef="g:atomicType">
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</property>
</atom>
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</property>
</atom>
<atom elementType="H" id="a53" x3="1.985135" y3="2.17156" z3="0.34195">
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</property>
</atom>
<atom elementType="C" id="a54" x3="2.317355" y3="0.429686" z3="2.260928">
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</property>
</atom>
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</property>
</atom>
<atom elementType="O" id="a56" x3="2.030384" y3="1.375039" z3="3.024054">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0738,2.5793,.3432;-.9511,2.9822,-.5586;-.2003,3.2887,-1.6696;1.1238,3.0766,-1.4149;-.6573,3.6607,-2.5729;1.1896,2.6394,-.1198;2.0075,3.2201,-2.0127;-.3029,2.2379,1.3406;-2.1821,1.5638,-.6495;-2.6743,.7162,-.565;-3.2208,.6805,.7394;-3.8595,-.6459,1.0303;-2.4389,.8065,1.4973;-3.9326,1.4987,.8869;-5.0376,-1.0431,.155;-3.1504,-1.4683,.9478;-4.2385,-.6218,2.0508;-5.7538,-2.1551,.8487;-4.5712,-1.5406,-1.1759;-5.9856,.09,-.0432;-5.0474,-2.9565,1.0448;-6.5509,-2.5079,.2011;-6.1645,-1.7788,1.7808;-5.4432,-1.8539,-1.7436;-3.9078,-2.3861,-1.0162;-4.0498,-.7421,-1.6899;-5.5109,.8582,-.6454;-6.2711,.4863,.9271;-6.8601,-.2918,-.5618;-1.505,-.7341,-.7441;-.8047,-1.4117,-.7824;.4252,-.7066,-.8031;1.5295,-1.7306,-.9258;.5583,-.1257,.1186;.4356,.0015,-1.6407;2.8804,-1.1677,-.8309;1.4104,-2.2936,-1.8652;1.412,-2.4478,-.111;3.84,-2.2728,-.7218;3.1819,-.3004,-1.9643;5.2698,-1.8463,-.5414;3.5365,-2.8686,.142;3.7811,-2.9283,-1.6042;3.2034,-.8456,-2.9179;2.4354,.4878,-2.0382;4.1465,.1841,-1.8207;5.3733,-1.0675,.6405;5.8844,-2.7516,-.4781;5.6298,-1.2812,-1.4084;6.2973,-.8231,.7585;2.972,-.0058,.4836;2.9272,.8037,1.0862;1.9851,2.1716,.3419;2.3174,.4297,2.2609;2.1248,-.7932,2.4346;2.0304,1.375,3.0241;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3085092 0.1094424 0.0998209</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.076583" y3="2.600633" z3="0.335039">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.986858" y3="3.038028" z3="-0.518943">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.281703" y3="3.379646" z3="-1.647609">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.050506" y3="3.150127" z3="-1.457091">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.77186" y3="3.783308" z3="-2.51916">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.161801" y3="2.670105" z3="-0.181909">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="1.909376" y3="3.305399" z3="-2.087223">
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</property>
</atom>
<atom elementType="H" id="a8" x3="-0.267742" y3="2.235526" z3="1.332084">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-2.261355" y3="1.651929" z3="-0.602036">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
<atom elementType="C" id="a54" x3="2.272762" y3="0.500647" z3="2.237684">
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</property>
</atom>
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</property>
</atom>
<atom elementType="O" id="a56" x3="2.058765" y3="1.462588" z3="3.000213">
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0766,2.6006,.335;-.9869,3.038,-.5189;-.2817,3.3796,-1.6476;1.0505,3.1501,-1.4571;-.7719,3.7833,-2.5192;1.1618,2.6701,-.1819;1.9094,3.3054,-2.0872;-.2677,2.2355,1.3321;-2.2614,1.6519,-.602;-2.717,.7834,-.534;-3.1841,.6456,.7931;-3.7493,-.7245,1.0246;-2.3688,.7502,1.5193;-3.9155,1.4245,1.0314;-4.9424,-1.1145,.1694;-3.0056,-1.4987,.8424;-4.0762,-.7993,2.0605;-5.5608,-2.3248,.7891;-4.5049,-1.4627,-1.2179;-5.9585,-.0254,.1112;-4.8032,-3.098,.8769;-6.3703,-2.6644,.1498;-5.9418,-2.0586,1.7705;-5.3783,-1.7885,-1.7764;-3.7762,-2.2667,-1.1588;-4.0623,-.5883,-1.6795;-5.5498,.8182,-.4365;-6.22,.2674,1.1239;-6.8338,-.4089,-.405;-1.4996,-.595,-.8529;-.8207,-1.2918,-.9092;.437,-.642,-.8158;1.5,-1.706,-.9672;.5528,-.1465,.1573;.5225,.1324,-1.5884;2.8668,-1.2072,-.8466;1.3541,-2.2384,-1.9219;1.3441,-2.4414,-.1748;3.7759,-2.344,-.6703;3.2468,-.3716,-1.9759;5.2148,-1.9672,-.4494;3.4211,-2.899,.2013;3.7247,-3.0259,-1.5333;3.276,-.9291,-2.9235;2.5442,.4515,-2.091;4.2282,.0688,-1.806;5.3037,-1.1357,.6989;5.7876,-2.8913,-.3144;5.6336,-1.4597,-1.3256;6.2308,-.9144,.8361;2.9715,.0115,.4883;2.9263,.8346,1.0571;1.9897,2.2608,.2553;2.2728,.5006,2.2377;1.9771,-.7038,2.3946;2.0588,1.4626,3.0002;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3001852 0.1120812 0.1010075</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.081432" y3="2.621635" z3="0.27987">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.994617" y3="3.035066" z3="-0.582548">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.294318" y3="3.343839" z3="-1.723035">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.037856" y3="3.114184" z3="-1.533712">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.7876" y3="3.719814" z3="-2.604945">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.15226" y3="2.658204" z3="-0.250321">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="1.893296" y3="3.240489" z3="-2.174837">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.268929" y3="2.284005" z3="1.287289">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-2.299278" y3="1.677897" z3="-0.614317">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a10" x3="-2.754513" y3="0.809833" z3="-0.546185">
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</property>
</atom>
<atom elementType="C" id="a11" x3="-3.202393" y3="0.663213" z3="0.78704">
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</property>
</atom>
<atom elementType="C" id="a12" x3="-3.757312" y3="-0.709248" z3="1.037943">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</atom>
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</atom>
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</atom>
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</property>
</atom>
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
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</property>
</atom>
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</atom>
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</atom>
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</property>
</atom>
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</atom>
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0814,2.6216,.2799;-.9946,3.0351,-.5825;-.2943,3.3438,-1.723;1.0379,3.1142,-1.5337;-.7876,3.7198,-2.6049;1.1523,2.6582,-.2503;1.8933,3.2405,-2.1748;-.2689,2.284,1.2873;-2.2993,1.6779,-.6143;-2.7545,.8098,-.5462;-3.2024,.6632,.787;-3.7573,-.7092,1.0379;-2.3758,.7732,1.5001;-3.9333,1.4388,1.037;-4.9738,-1.1167,.2224;-3.0118,-1.4808,.8513;-4.0608,-.7732,2.081;-5.5955,-2.2903,.9059;-4.5813,-1.5353,-1.1589;-5.9745,-.0148,.1438;-4.8486,-3.0734,.9999;-6.4299,-2.6385,.3041;-5.9422,-1.9809,1.8875;-5.4736,-1.8836,-1.6715;-3.8555,-2.3402,-1.0824;-4.1506,-.6881,-1.6778;-5.5651,.7992,-.4465;-6.2063,.3229,1.1499;-6.8685,-.4031,-.3356;-1.5296,-.5527,-.881;-.8567,-1.2557,-.9334;.4129,-.6366,-.7908;1.4503,-1.7253,-.9373;.5156,-.1658,.1956;.5413,.1514,-1.5436;2.8286,-1.2576,-.838;1.2803,-2.2607,-1.8863;1.2872,-2.4521,-.1376;3.7111,-2.41,-.6296;3.2161,-.4643,-1.9944;5.1674,-2.0723,-.463;3.3623,-2.9205,.271;3.6238,-3.1259,-1.4617;3.2261,-1.0493,-2.9259;2.5271,.3683,-2.1265;4.2072,-.038,-1.8458;5.3157,-1.1822,.6332;5.7102,-3.0072,-.2846;5.5824,-1.6355,-1.3783;6.2532,-.9837,.7279;2.9742,.0197,.4826;2.9828,.8689,1.006;1.9883,2.2743,.1948;2.4273,.6083,2.26;2.1249,-.5799,2.4987;2.3042,1.6132,2.9849;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2946989 0.1105110 0.0996479</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.074953" y3="2.612887" z3="0.298178">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.981077" y3="3.020467" z3="-0.57211">
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</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
<atom elementType="N" id="a6" x3="1.167529" y3="2.683386" z3="-0.209539">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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</atomArray>
<bondArray/>
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</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2948225 0.1109553 0.1002377</array>
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</module>
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<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2925598 0.1116557 0.1008635</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.963571" y3="3.006722" z3="-0.581575">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2927955 0.1121225 0.1012777</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0409,2.6066,.2887;-.9594,2.9956,-.5768;-.2599,3.3449,-1.7076;1.078,3.1617,-1.5071;-.7595,3.7074,-2.5916;1.1975,2.6989,-.2262;1.9347,3.3153,-2.1404;-.2239,2.2382,1.2861;-2.2591,1.6662,-.6256;-2.7445,.8111,-.5717;-3.1153,.6265,.7814;-3.6768,-.7448,1.0187;-2.2458,.7056,1.445;-3.8233,1.3987,1.0992;-4.9289,-1.1053,.2379;-2.9536,-1.525,.7862;-3.9451,-.8261,2.0704;-5.541,-2.2989,.8945;-4.594,-1.4672,-1.174;-5.9156,.0115,.2473;-4.8028,-3.0955,.9255;-6.4033,-2.6092,.3119;-5.8443,-2.0279,1.9016;-5.5084,-1.7845,-1.6673;-3.8764,-2.2828,-1.1595;-4.1736,-.6021,-1.673;-5.5178,.8484,-.3182;-6.1075,.3025,1.2764;-6.8312,-.342,-.2174;-1.542,-.5254,-1.0151;-.8702,-1.2249,-1.1255;.3948,-.6362,-.8692;1.4347,-1.7208,-1.0278;.441,-.2269,.1482;.576,.1943,-1.5625;2.8092,-1.2538,-.841;1.3117,-2.1993,-2.0131;1.2413,-2.4923,-.2793;3.6765,-2.412,-.6104;3.2593,-.4542,-1.9735;5.1283,-2.0866,-.3921;3.2886,-2.9327,.2682;3.618,-3.119,-1.4538;3.3395,-1.0419,-2.8993;2.5648,.3652,-2.1506;4.2317,-.0106,-1.7626;5.2546,-1.213,.7185;5.6571,-3.0306,-.2156;5.5725,-1.6416,-1.2896;6.1898,-1.0168,.837;2.9146,.0398,.4992;2.9342,.8677,1.0465;2.0311,2.3175,.2206;2.3272,.5881,2.2679;1.9862,-.5965,2.4651;2.2077,1.5772,3.0147;</scalar>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2930526 0.1123148 0.1013608</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
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<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
<atom elementType="O" id="a47" x3="5.218235" y3="-1.236491" z3="0.759016">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a48" x3="5.623122" y3="-3.05809" z3="-0.167585">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="5.572133" y3="-1.667307" z3="-1.241905">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a53" x3="2.055029" y3="2.329515" z3="0.21155">
<property dictRef="g:atomicType">
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</property>
</atom>
<atom elementType="C" id="a54" x3="2.292018" y3="0.585805" z3="2.255834">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a55" x3="1.938439" y3="-0.597419" z3="2.436785">
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</property>
</atom>
<atom elementType="O" id="a56" x3="2.162539" y3="1.571746" z3="3.004882">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0175,2.6007,.2999;-.9484,2.9806,-.5566;-.2641,3.3383,-1.6941;1.0774,3.1683,-1.5069;-.7765,3.699,-2.5715;1.2148,2.7077,-.2271;1.9262,3.3324,-2.1483;-.1868,2.2311,1.2993;-2.2631,1.6874,-.5855;-2.7533,.8328,-.5433;-3.1073,.6164,.8097;-3.6574,-.764,1.0204;-2.2327,.6879,1.4668;-3.8186,1.3755,1.1512;-4.9069,-1.1157,.2318;-2.9306,-1.5348,.769;-3.9232,-.8693,2.0709;-5.523,-2.3144,.8751;-4.564,-1.4642,-1.1815;-5.8937,.001,.2462;-4.7862,-3.1121,.9041;-6.3825,-2.6191,.2855;-5.8311,-2.0511,1.8827;-5.4756,-1.7755,-1.6838;-3.8478,-2.2812,-1.1713;-4.1393,-.595,-1.6692;-5.4931,.8431,-.3097;-6.0912,.2825,1.2767;-6.8066,-.3483,-.2269;-1.5324,-.4673,-1.0298;-.8659,-1.1656,-1.1778;.4049,-.6041,-.8931;1.4301,-1.7008,-1.0627;.4468,-.2189,.1338;.611,.2392,-1.5644;2.8067,-1.252,-.8478;1.3139,-2.1581,-2.0586;1.2178,-2.4842,-.3323;3.6561,-2.4202,-.6011;3.2894,-.4566,-1.97;5.1064,-2.1092,-.3539;3.2463,-2.9346,.2714;3.6052,-3.1284,-1.4442;3.3972,-1.0488,-2.8902;2.5998,.3609,-2.1726;4.2547,-.0112,-1.7324;5.2182,-1.2365,.759;5.6231,-3.0581,-.1676;5.5721,-1.6673,-1.2419;6.152,-1.044,.8934;2.9101,.0452,.4957;2.9308,.8684,1.0483;2.055,2.3295,.2115;2.292,.5858,2.2558;1.9384,-.5974,2.4368;2.1625,1.5717,3.0049;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2931906 0.1131693 0.1020400</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.01915" y3="2.601126" z3="0.305955">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.953995" y3="2.983547" z3="-0.544977">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.275516" y3="3.341542" z3="-1.685362">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.066758" y3="3.170312" z3="-1.505682">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.792111" y3="3.704678" z3="-2.559271">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.210467" y3="2.707821" z3="-0.227294">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="1.912179" y3="3.33704" z3="-2.150684">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.184023" y3="2.232134" z3="1.306191">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-2.275522" y3="1.702243" z3="-0.564949">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a10" x3="-2.763136" y3="0.845667" z3="-0.528249">
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</property>
</atom>
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</property>
</atom>
<atom elementType="C" id="a12" x3="-3.660632" y3="-0.769381" z3="1.0204">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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<property dictRef="g:atomicType">
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</property>
</atom>
<atom elementType="O" id="a52" x3="2.941043" y3="0.864772" z3="1.041059">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a53" x3="2.053029" y3="2.329535" z3="0.206174">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="2.313136" y3="0.583562" z3="2.252833">
<property dictRef="g:atomicType">
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</property>
</atom>
<atom elementType="O" id="a55" x3="1.952901" y3="-0.597827" z3="2.435406">
<property dictRef="g:atomicType">
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</property>
</atom>
<atom elementType="O" id="a56" x3="2.194193" y3="1.568708" z3="3.005145">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0192,2.6011,.306;-.954,2.9835,-.545;-.2755,3.3415,-1.6854;1.0668,3.1703,-1.5057;-.7921,3.7047,-2.5593;1.2105,2.7078,-.2273;1.9122,3.337,-2.1507;-.184,2.2321,1.3062;-2.2755,1.7022,-.5649;-2.7631,.8457,-.5282;-3.1208,.617,.8213;-3.6606,-.7694,1.0204;-2.2494,.6898,1.4827;-3.8383,1.3688,1.166;-4.9098,-1.1251,.2318;-2.9276,-1.5315,.7611;-3.9234,-.8868,2.0702;-5.51,-2.3385,.8628;-4.5702,-1.4531,-1.1874;-5.909,-.0196,.2629;-4.7627,-3.1267,.8821;-6.3662,-2.6479,.2709;-5.8201,-2.0903,1.8737;-5.4824,-1.7619,-1.6902;-3.8498,-2.2664,-1.191;-4.1518,-.5753,-1.6649;-5.5198,.8328,-.2852;-6.105,.2485,1.2972;-6.8201,-.374,-.2099;-1.5294,-.4409,-1.0216;-.8638,-1.1374,-1.1817;.4106,-.5837,-.8971;1.4292,-1.6852,-1.0756;.4578,-.206,.1323;.6194,.2635,-1.5629;2.8084,-1.2475,-.858;1.3097,-2.1349,-2.0745;1.2111,-2.4724,-.3506;3.6516,-2.4218,-.6178;3.2963,-.4458,-1.973;5.1016,-2.119,-.3585;3.2357,-2.9436,.2475;3.6023,-3.1203,-1.4687;3.4057,-1.0314,-2.8973;2.6087,.3745,-2.172;4.2618,-.0042,-1.7291;5.209,-1.2679,.7719;5.6153,-3.0718,-.1856;5.5734,-1.6622,-1.2359;6.1425,-1.0801,.9147;2.9191,.0401,.4893;2.941,.8648,1.0411;2.053,2.3295,.2062;2.3131,.5836,2.2528;1.9529,-.5978,2.4354;2.1942,1.5687,3.0051;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2927265 0.1129680 0.1018480</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.001286" y3="2.595663" z3="0.346221">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.947343" y3="2.986339" z3="-0.487513">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.282857" y3="3.386654" z3="-1.621677">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.06321" y3="3.233815" z3="-1.45567">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.811325" y3="3.766072" z3="-2.481316">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.223025" y3="2.736905" z3="-0.192361">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="1.901147" y3="3.436148" z3="-2.100107">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.153818" y3="2.197673" z3="1.336952">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-2.286339" y3="1.756178" z3="-0.511342">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a10" x3="-2.780227" y3="0.900459" z3="-0.496854">
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
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</property>
</atom>
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</atom>
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</property>
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</property>
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</atom>
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</atom>
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0013,2.5957,.3462;-.9473,2.9863,-.4875;-.2829,3.3867,-1.6217;1.0632,3.2338,-1.4557;-.8113,3.7661,-2.4813;1.223,2.7369,-.1924;1.9011,3.4361,-2.1001;-.1538,2.1977,1.337;-2.2863,1.7562,-.5113;-2.7802,.9005,-.4969;-3.0981,.6055,.8484;-3.5966,-.8026,1;-2.2126,.6703,1.4923;-3.8237,1.3235,1.2443;-4.8576,-1.16,.2298;-2.85,-1.5306,.6871;-3.8268,-.9749,2.0497;-5.4009,-2.4215,.8187;-4.5519,-1.408,-1.2138;-5.8884,-.0893,.3414;-4.6242,-3.1807,.7904;-6.256,-2.7384,.2291;-5.7001,-2.2286,1.8447;-5.4734,-1.7058,-1.7065;-3.8184,-2.2068,-1.2801;-4.1621,-.4992,-1.6556;-5.5404,.7992,-.1766;-6.0613,.1252,1.3922;-6.8021,-.4505,-.1212;-1.5246,-.3219,-1.079;-.8659,-1.0055,-1.3085;.4137,-.5065,-.9569;1.4101,-1.6203,-1.1779;.443,-.1971,.0957;.6629,.3761,-1.5604;2.791,-1.2268,-.8987;1.3081,-2.0066,-2.2048;1.1533,-2.4442,-.5084;3.6012,-2.428,-.6764;3.3355,-.3945,-1.9636;5.0423,-2.1648,-.337;3.1392,-2.9825,.1438;3.5788,-3.0824,-1.5621;3.4871,-.9518,-2.8992;2.6606,.4347,-2.1703;4.2902,.0343,-1.66;5.1103,-1.3996,.8567;5.5377,-3.1344,-.2106;5.5561,-1.6531,-1.1589;6.0387,-1.2298,1.0476;2.8991,.02,.4809;2.9269,.834,1.0497;2.0713,2.3534,.2225;2.2868,.543,2.2486;1.8671,-.6246,2.394;2.2094,1.5074,3.0334;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2890730 0.1146697 0.1030910</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.008158" y3="2.592655" z3="0.344174">
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</property>
</atom>
<atom elementType="N" id="a2" x3="-0.948627" y3="2.987975" z3="-0.493585">
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
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</property>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2889052 0.1145826 0.1029905</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
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<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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<bondArray/>
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2847852 0.1160623 0.1039597</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.003672" y3="2.582714" z3="0.369391">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.931105" y3="3.004789" z3="-0.461654">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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<bondArray/>
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</property>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2812745 0.1178811 0.1049296</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
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<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0018,2.5971,.3533;-.9294,3.0057,-.488;-.246,3.4586,-1.5908;1.0979,3.3179,-1.3991;-.7601,3.8601,-2.4491;1.2351,2.7744,-.1518;1.9477,3.5535,-2.016;-.1678,2.1575,1.3238;-2.2855,1.7993,-.5625;-2.8005,.9554,-.5444;-3.1187,.6828,.8053;-3.5454,-.7438,.9987;-2.244,.812,1.454;-3.8827,1.3759,1.1734;-4.784,-1.1921,.2401;-2.7583,-1.4387,.7087;-3.7686,-.8969,2.0529;-5.2445,-2.4752,.8493;-4.4697,-1.4477,-1.2001;-5.8778,-.1854,.3409;-4.4256,-3.1883,.8158;-6.0894,-2.8466,.2763;-5.54,-2.2903,1.8778;-5.3709,-1.8193,-1.6796;-3.6836,-2.1955,-1.2521;-4.1452,-.5241,-1.6645;-5.5882,.7139,-.1937;-6.0593,.0352,1.3891;-6.7696,-.6088,-.1116;-1.5536,-.284,-1.1235;-.8978,-.9688,-1.3577;.3825,-.4863,-.9841;1.3684,-1.6112,-1.1958;.3996,-.1842,.0706;.6494,.396,-1.58;2.7528,-1.2386,-.9068;1.2684,-1.9976,-2.2233;1.0966,-2.4307,-.5268;3.5459,-2.4531,-.699;3.3135,-.3982,-1.9573;4.988,-2.2117,-.3489;3.0724,-3.0125,.1111;3.5193,-3.0958,-1.5934;3.4561,-.9431,-2.9016;2.6557,.4473,-2.1509;4.2758,.0075,-1.6466;5.0547,-1.4473,.8452;5.4696,-3.1879,-.2199;5.5149,-1.7055,-1.1655;5.9827,-1.2791,1.0397;2.8629,-.0087,.4917;2.9098,.7996,1.0695;2.0817,2.3951,.2655;2.2574,.5229,2.2622;1.8164,-.6368,2.4107;2.1921,1.4902,3.0452;</scalar>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2833662 0.1168413 0.1042393</array>
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</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
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<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a48" x3="5.592223" y3="-3.087133" z3="-0.20921">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
<atom elementType="H" id="a53" x3="2.058099" y3="2.3513" z3="0.241187">
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</property>
</atom>
<atom elementType="C" id="a54" x3="2.294826" y3="0.552325" z3="2.264601">
<property dictRef="g:atomicType">
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</property>
</atom>
<atom elementType="O" id="a55" x3="1.916803" y3="-0.625927" z3="2.434256">
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</property>
</atom>
<atom elementType="O" id="a56" x3="2.186306" y3="1.529342" z3="3.029831">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0182,2.6007,.3199;-.9432,2.99,-.5376;-.2529,3.3784,-1.6607;1.0883,3.2185,-1.4642;-.7605,3.7515,-2.5356;1.2174,2.7288,-.1939;1.9415,3.4064,-2.093;-.1942,2.2088,1.3095;-2.2675,1.7164,-.588;-2.7671,.8664,-.5523;-3.1162,.6365,.799;-3.6327,-.7575,1.0081;-2.2431,.7257,1.4565;-3.8435,1.3786,1.1441;-4.8851,-1.1353,.2351;-2.889,-1.5076,.743;-3.8826,-.8768,2.0607;-5.4491,-2.3667,.8648;-4.5609,-1.4447,-1.192;-5.9054,-.0506,.2908;-4.6853,-3.1392,.8626;-6.3094,-2.6883,.2851;-5.7466,-2.1352,1.8833;-5.4743,-1.7693,-1.6825;-3.823,-2.2418,-1.2127;-4.1691,-.5544,-1.6691;-5.5412,.8138,-.2559;-6.0908,.2052,1.3302;-6.8164,-.4188,-.1714;-1.5419,-.426,-1.0612;-.8744,-1.118,-1.232;.3972,-.5726,-.9187;1.4163,-1.6726,-1.1029;.4301,-.2143,.1183;.6156,.2857,-1.5664;2.7953,-1.2429,-.8684;1.3044,-2.1088,-2.1088;1.19,-2.4689,-.3903;3.6333,-2.4242,-.6443;3.2938,-.4217,-1.9646;5.0821,-2.1301,-.369;3.2099,-2.9612,.2077;3.5885,-3.1059,-1.5088;3.4082,-.9902,-2.8988;2.6109,.4049,-2.1527;4.2591,.0119,-1.7056;5.1823,-1.2997,.7773;5.5922,-3.0871,-.2092;5.5617,-1.6589,-1.2344;6.1147,-1.1126,.9283;2.8992,.021,.4972;2.9286,.8385,1.0611;2.0581,2.3513,.2412;2.2948,.5523,2.2646;1.9168,-.6259,2.4343;2.1863,1.5293,3.0298;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2903046 0.1137192 0.1023431</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.02584" y3="2.614383" z3="0.365681">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.920804" y3="3.019926" z3="-0.460836">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.254974" y3="3.480764" z3="-1.570899">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.092248" y3="3.346346" z3="-1.400055">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.783693" y3="3.883981" z3="-2.419404">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.250855" y3="2.803443" z3="-0.155645">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="1.931695" y3="3.590759" z3="-2.027694">
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</property>
</atom>
<atom elementType="H" id="a8" x3="-0.127403" y3="2.172483" z3="1.337634">
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</property>
</atom>
<atom elementType="H" id="a9" x3="-2.298822" y3="1.856152" z3="-0.50225">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</property>
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
<atom elementType="O" id="a52" x3="2.908337" y3="0.795772" z3="1.053973">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a53" x3="2.104388" y3="2.428913" z3="0.250195">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="2.237212" y3="0.534885" z3="2.240694">
<property dictRef="g:atomicType">
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</property>
</atom>
<atom elementType="O" id="a55" x3="1.763317" y3="-0.612732" z3="2.382994">
<property dictRef="g:atomicType">
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</property>
</atom>
<atom elementType="O" id="a56" x3="2.189987" y3="1.502766" z3="3.024115">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0258,2.6144,.3657;-.9208,3.0199,-.4608;-.255,3.4808,-1.5709;1.0922,3.3463,-1.4001;-.7837,3.884,-2.4194;1.2509,2.8034,-.1556;1.9317,3.5908,-2.0277;-.1274,2.1725,1.3376;-2.2988,1.8562,-.5022;-2.82,1.014,-.5008;-3.1336,.7059,.8423;-3.5035,-.74,1.0091;-2.2685,.8581,1.4982;-3.926,1.362,1.2186;-4.7168,-1.2289,.2337;-2.6867,-1.397,.7125;-3.7264,-.9202,2.0592;-5.123,-2.5409,.82;-4.3831,-1.4464,-1.2087;-5.8572,-.2759,.3412;-4.2713,-3.2144,.7873;-5.9428,-2.9439,.2321;-5.4383,-2.3838,1.8473;-5.2652,-1.8479,-1.6999;-3.5651,-2.1586,-1.2694;-4.0969,-.5019,-1.655;-5.6085,.6426,-.1812;-6.0543,-.0771,1.3908;-6.7259,-.7356,-.1212;-1.5545,-.1868,-1.1213;-.9142,-.8762,-1.3831;.3765,-.4353,-.9962;1.3316,-1.5852,-1.2141;.3951,-.1471,.0623;.6745,.4466,-1.5784;2.7217,-1.2474,-.9143;1.2271,-1.9592,-2.2457;1.0345,-2.4037,-.5549;3.4869,-2.4792,-.7043;3.3085,-.4197,-1.9598;4.928,-2.269,-.3302;2.9911,-3.0351,.0949;3.4602,-3.1141,-1.6042;3.4501,-.9687,-2.902;2.6685,.4375,-2.1619;4.2754,-.0322,-1.6398;4.9917,-1.5264,.878;5.3908,-3.2555,-.211;5.4755,-1.758,-1.1301;5.9196,-1.3739,1.085;2.8559,-.0141,.4796;2.9083,.7958,1.054;2.1044,2.4289,.2502;2.2372,.5349,2.2407;1.7633,-.6127,2.383;2.19,1.5028,3.0241;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2801429 0.1190659 0.1053913</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.007246" y3="2.607508" z3="0.347844">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.929699" y3="3.007896" z3="-0.49167">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.253081" y3="3.439676" z3="-1.606973">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.091654" y3="3.293733" z3="-1.4251">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.772505" y3="3.83165" z3="-2.466486">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.237141" y3="2.77122" z3="-0.170021">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="1.937333" y3="3.51501" z3="-2.053003">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.156201" y3="2.185161" z3="1.3269">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-2.286202" y3="1.79784" z3="-0.541203">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a10" x3="-2.797896" y3="0.952024" z3="-0.525794">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
<atom elementType="C" id="a12" x3="-3.560375" y3="-0.748455" z3="1.006879">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</atom>
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</property>
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</property>
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</property>
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</property>
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<scalar dataType="xsd:integer">0</scalar>
</property>
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</property>
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</atom>
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</property>
</atom>
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</atom>
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0072,2.6075,.3478;-.9297,3.0079,-.4917;-.2531,3.4397,-1.607;1.0917,3.2937,-1.4251;-.7725,3.8316,-2.4665;1.2371,2.7712,-.17;1.9373,3.515,-2.053;-.1562,2.1852,1.3269;-2.2862,1.7978,-.5412;-2.7979,.952,-.5258;-3.126,.6769,.8215;-3.5604,-.7485,1.0069;-2.2556,.801,1.4766;-3.8903,1.3714,1.1861;-4.7936,-1.1888,.2349;-2.7747,-1.447,.722;-3.794,-.9032,2.0587;-5.2691,-2.4684,.8408;-4.4652,-1.4463,-1.2018;-5.8833,-.1762,.3225;-4.4542,-3.1865,.8195;-6.1086,-2.8362,.2581;-5.5762,-2.2789,1.8652;-5.3629,-1.8136,-1.6911;-3.6817,-2.1974,-1.2467;-4.132,-.5239,-1.6622;-5.5841,.7207,-.2109;-6.0745,.0472,1.3683;-6.7726,-.5962,-.1383;-1.5487,-.2882,-1.1001;-.8963,-.9795,-1.3245;.3868,-.493,-.9666;1.3702,-1.6215,-1.1709;.4115,-.1768,.084;.6507,.3813,-1.5755;2.7562,-1.2444,-.8963;1.2632,-2.02,-2.193;1.1028,-2.4328,-.4904;3.5525,-2.4555,-.6807;3.3069,-.4166,-1.9616;4.9976,-2.2094,-.3457;3.0862,-3.0057,.1399;3.5188,-3.1088,-1.5672;3.4386,-.972,-2.9014;2.6482,.4277,-2.1576;4.273,-.0092,-1.6651;5.076,-1.4316,.839;5.4803,-3.1842,-.2102;5.5173,-1.7126,-1.1727;6.0061,-1.2643,1.0238;2.8758,.0001,.4879;2.918,.8126,1.0589;2.085,2.3943,.248;2.262,.5392,2.2521;1.8284,-.6226,2.4046;2.1884,1.5107,3.0287;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2844573 0.1165799 0.1039817</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.020886" y3="2.610675" z3="0.367059">
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</property>
</atom>
<atom elementType="N" id="a2" x3="-0.909456" y3="3.010456" z3="-0.479615">
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</atom>
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</property>
</atom>
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</atom>
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</atom>
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</property>
</atom>
<atom elementType="H" id="a7" x3="1.971446" y3="3.581049" z3="-1.992479">
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atomArray>
<bondArray/>
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<property dictRef="cml:molmass">
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
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</module>
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<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2830661 0.1173779 0.1047496</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</property>
</atom>
<atom elementType="N" id="a2" x3="-0.800151" y3="2.962371" z3="-0.460139">
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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<bondArray/>
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<property dictRef="cml:molmass">
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</property>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2753438 0.1232139 0.1091072</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</atom>
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</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
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<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0586,2.6283,.3812;-.8735,2.995,-.4783;-.1893,3.442,-1.583;1.1553,3.3393,-1.3749;-.7042,3.8108,-2.4553;1.2928,2.8284,-.1142;2.0056,3.5825,-1.9882;-.1116,2.2051,1.3584;-2.2511,1.8482,-.4993;-2.8054,1.027,-.5017;-3.0995,.6952,.8401;-3.4744,-.7517,.9911;-2.2274,.8405,1.4875;-3.8891,1.3422,1.2368;-4.7116,-1.2102,.234;-2.6705,-1.4124,.6681;-3.68,-.9452,2.0421;-5.1276,-2.5269,.8044;-4.4142,-1.4023,-1.2191;-5.833,-.2402,.3848;-4.2908,-3.2163,.7321;-5.9716,-2.9005,.2323;-5.409,-2.3852,1.8435;-5.313,-1.7788,-1.6992;-3.6081,-2.1243,-1.3142;-4.1231,-.4521,-1.6504;-5.5787,.685,-.1229;-6.0059,-.0606,1.4423;-6.7188,-.6742,-.0689;-1.5775,-.1862,-1.1968;-.9206,-.8488,-1.4853;.3521,-.424,-1.026;1.3189,-1.5628,-1.2539;.3228,-.181,.0437;.6702,.4824,-1.5567;2.7031,-1.2328,-.9152;1.2383,-1.9069,-2.2978;1.012,-2.4023,-.626;3.4603,-2.4732,-.7246;3.3125,-.3792,-1.9276;4.901,-2.2851,-.3369;2.953,-3.0441,.0566;3.438,-3.0869,-1.639;3.4664,-.9023,-2.8823;2.6812,.4878,-2.1148;4.276,-.0069,-1.5808;4.9689,-1.572,.8885;5.3517,-3.2795,-.2383;5.4584,-1.7635,-1.123;5.8982,-1.4333,1.0992;2.8188,-.0407,.5058;2.8846,.758,1.0935;2.1426,2.4756,.3173;2.1941,.4973,2.2659;1.7001,-.6444,2.3923;2.1515,1.4577,3.0596;</scalar>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2796647 0.1194961 0.1062208</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
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<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a47" x3="5.004766" y3="-1.523826" z3="0.870078">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a48" x3="5.395844" y3="-3.245753" z3="-0.232088">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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<property dictRef="g:atomicType">
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a53" x3="2.122043" y3="2.450559" z3="0.302617">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="2.212016" y3="0.504847" z3="2.264735">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a55" x3="1.737794" y3="-0.644251" z3="2.397254">
<property dictRef="g:atomicType">
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</property>
</atom>
<atom elementType="O" id="a56" x3="2.157411" y3="1.467798" z3="3.054395">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0392,2.6206,.3714;-.8914,3.0011,-.4837;-.2058,3.4484,-1.5874;1.1383,3.3313,-1.3832;-.7192,3.8275,-2.4562;1.2739,2.8116,-.1258;1.9895,3.5698,-1.9971;-.1324,2.1933,1.3467;-2.2622,1.8326,-.5228;-2.8035,1.0038,-.5183;-3.1068,.6921,.8266;-3.498,-.7486,.9929;-2.2345,.8338,1.4749;-3.8895,1.354,1.2124;-4.7355,-1.2041,.2354;-2.6992,-1.421,.6816;-3.7101,-.9278,2.0452;-5.1657,-2.5104,.8187;-4.4328,-1.4159,-1.214;-5.8482,-.2221,.3707;-4.3346,-3.2078,.7583;-6.0103,-2.8832,.2468;-5.4511,-2.3548,1.8547;-5.3319,-1.7927,-1.6934;-3.6313,-2.1444,-1.2962;-4.1334,-.4732,-1.6561;-5.5827,.695,-.1459;-6.0234,-.0294,1.4255;-6.7362,-.6525,-.0822;-1.5705,-.2222,-1.1735;-.9143,-.8946,-1.4402;.3612,-.4485,-1.0094;1.335,-1.5827,-1.2291;.347,-.1833,.0553;.6624,.4493,-1.5643;2.7196,-1.2358,-.9096;1.247,-1.9438,-2.2667;1.0411,-2.4142,-.5846;3.4913,-2.4663,-.7133;3.3087,-.3863,-1.9372;4.9337,-2.2578,-.3426;2.9984,-3.0332,.08;3.4657,-3.0912,-1.62;3.4559,-.917,-2.8889;2.6671,.473,-2.1247;4.2727,-.0019,-1.6057;5.0048,-1.5238,.8701;5.3958,-3.2458,-.2321;5.4783,-1.7433,-1.1422;5.9343,-1.3742,1.0722;2.8337,-.0298,.503;2.8931,.7719,1.0876;2.122,2.4506,.3026;2.212,.5048,2.2647;1.7378,-.6443,2.3973;2.1574,1.4678,3.0544;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2809666 0.1186031 0.1055368</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.032628" y3="2.630405" z3="0.37158">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.887691" y3="3.000013" z3="-0.499288">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.190506" y3="3.426757" z3="-1.603352">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.151335" y3="3.310102" z3="-1.382413">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.693921" y3="3.793757" z3="-2.483179">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.272927" y3="2.807739" z3="-0.115845">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="2.009464" y3="3.536872" z3="-1.99107">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.150106" y3="2.220344" z3="1.352206">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-2.253709" y3="1.819144" z3="-0.536708">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a10" x3="-2.793919" y3="0.990669" z3="-0.531634">
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</property>
</atom>
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</property>
</atom>
<atom elementType="C" id="a12" x3="-3.507145" y3="-0.745807" z3="0.988649">
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</property>
</atom>
<atom elementType="H" id="a13" x3="-2.23393" y3="0.831474" z3="1.464465">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a53" x3="2.115149" y3="2.451801" z3="0.327883">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="2.189958" y3="0.494297" z3="2.274348">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a55" x3="1.734158" y3="-0.662721" z3="2.401688">
<property dictRef="g:atomicType">
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</property>
</atom>
<atom elementType="O" id="a56" x3="2.1089" y3="1.456976" z3="3.0619">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0326,2.6304,.3716;-.8877,3,-.4993;-.1905,3.4268,-1.6034;1.1513,3.3101,-1.3824;-.6939,3.7938,-2.4832;1.2729,2.8077,-.1158;2.0095,3.5369,-1.9911;-.1501,2.2203,1.3522;-2.2537,1.8191,-.5367;-2.7939,.9907,-.5316;-3.1047,.6906,.8143;-3.5071,-.7458,.9886;-2.2339,.8315,1.4645;-3.8848,1.3601,1.1923;-4.7465,-1.1948,.2305;-2.7138,-1.4268,.683;-3.723,-.9166,2.0416;-5.1957,-2.4887,.8267;-4.4398,-1.4264,-1.2148;-5.8484,-.1984,.3498;-4.3738,-3.1974,.7774;-6.0429,-2.8569,.2555;-5.4831,-2.3184,1.8599;-5.3421,-1.7938,-1.6954;-3.6502,-2.1691,-1.2855;-4.1231,-.4933,-1.6653;-5.5708,.7099,-.1759;-6.0262,.0078,1.4016;-6.7393,-.6243,-.1023;-1.5684,-.2487,-1.1848;-.9072,-.9214,-1.4366;.3623,-.462,-1.0015;1.3465,-1.5887,-1.214;.3409,-.1926,.0621;.6565,.4364,-1.559;2.7291,-1.23,-.8977;1.2623,-1.9565,-2.2496;1.0589,-2.4187,-.5647;3.5104,-2.4549,-.7046;3.3086,-.3763,-1.9274;4.9558,-2.2368,-.3511;3.0286,-3.0215,.0958;3.4795,-3.084,-1.6084;3.4461,-.903,-2.8826;2.6661,.4845,-2.1045;4.276,.006,-1.6033;5.0382,-1.4891,.8523;5.4222,-3.2222,-.2351;5.49,-1.7298,-1.1624;5.9696,-1.3391,1.045;2.8346,-.0297,.519;2.8844,.7704,1.1061;2.1151,2.4518,.3279;2.19,.4943,2.2743;1.7342,-.6627,2.4017;2.1089,1.457,3.0619;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2822958 0.1182170 0.1054419</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.070305" y3="2.67115" z3="0.399401">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.833948" y3="3.023327" z3="-0.495272">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.118947" y3="3.480295" z3="-1.574597">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.219076" y3="3.399816" z3="-1.314775">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.60649" y3="3.83991" z3="-2.46631">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.31847" y3="2.885513" z3="-0.049334">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="2.087916" y3="3.655333" z3="-1.896155">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.130925" y3="2.245784" z3="1.369808">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-2.235994" y3="1.907413" z3="-0.533115">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a10" x3="-2.817297" y3="1.105513" z3="-0.539754">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-3.113697" y3="0.793154" z3="0.806967">
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</property>
</atom>
<atom elementType="C" id="a12" x3="-3.374502" y3="-0.673289" z3="1.00429">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</atom>
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</atom>
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</property>
</atom>
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</property>
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</property>
</atom>
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</property>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0703,2.6711,.3994;-.8339,3.0233,-.4953;-.1189,3.4803,-1.5746;1.2191,3.3998,-1.3148;-.6065,3.8399,-2.4663;1.3185,2.8855,-.0493;2.0879,3.6553,-1.8962;-.1309,2.2458,1.3698;-2.236,1.9074,-.5331;-2.8173,1.1055,-.5398;-3.1137,.7932,.807;-3.3745,-.6733,1.0043;-2.2712,1.031,1.4646;-3.9611,1.3885,1.1653;-4.5457,-1.2604,.2323;-2.5098,-1.275,.7246;-3.5932,-.8463,2.0567;-4.8794,-2.5781,.8498;-4.1835,-1.4959,-1.1987;-5.7443,-.378,.3034;-3.9959,-3.209,.8228;-5.6833,-3.0334,.2784;-5.1936,-2.4172,1.8767;-5.0304,-1.9696,-1.6868;-3.3192,-2.1533,-1.2303;-3.9554,-.5475,-1.6708;-5.5538,.5373,-.2479;-5.9635,-.1605,1.3452;-6.578,-.9066,-.1495;-1.6193,-.1172,-1.2953;-.9605,-.773,-1.59;.2961,-.383,-1.0597;1.2524,-1.5332,-1.2764;.2205,-.1691,.0138;.6483,.5326,-1.5516;2.6361,-1.2358,-.9081;1.1906,-1.8677,-2.3252;.9153,-2.3715,-.6629;3.3631,-2.4969,-.7426;3.2781,-.3709,-1.8909;4.8044,-2.3505,-.34;2.8347,-3.0726,.0212;3.3347,-3.0908,-1.6703;3.4076,-.8658,-2.8642;2.6857,.5291,-2.0439;4.257,-.0526,-1.5348;4.881,-1.6385,.8852;5.225,-3.3581,-.239;5.3845,-1.8451,-1.1197;5.8115,-1.525,1.1055;2.7447,-.0791,.5525;2.8141,.7124,1.1483;2.156,2.5553,.4174;2.0619,.4731,2.2858;1.5449,-.6604,2.3995;1.9986,1.4383,3.0724;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2728521 0.1248463 0.1097043</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.049585" y3="2.642795" z3="0.382039">
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</property>
</atom>
<atom elementType="N" id="a2" x3="-0.868576" y3="3.01019" z3="-0.491932">
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
<atom elementType="N" id="a6" x3="1.290954" y3="2.838213" z3="-0.095058">
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</atom>
<atom elementType="H" id="a7" x3="2.032296" y3="3.592491" z3="-1.958763">
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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<bondArray/>
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<property dictRef="cml:molmass">
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2782798 0.1206105 0.1069283</array>
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</module>
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<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2775026 0.1217741 0.1079093</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.038459" y3="2.649808" z3="0.439545">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.848501" y3="3.019133" z3="-0.465518">
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
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</atom>
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<bondArray/>
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<property dictRef="cml:molmass">
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</property>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2771875 0.1229170 0.1088926</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0614,2.67,.5058;-.7857,3.0235,-.443;-.0036,3.4798,-1.4751;1.3159,3.3979,-1.1342;-.4349,3.8395,-2.3952;1.3349,2.8879,.1348;2.2192,3.6532,-1.6604;-.1963,2.2457,1.463;-2.1842,1.9234,-.5678;-2.7549,1.1125,-.5904;-3.0123,.7314,.7458;-3.2793,-.7403,.8747;-2.1456,.9246,1.3873;-3.8403,1.3137,1.1651;-4.5189,-1.2661,.1664;-2.4486,-1.3347,.4951;-3.4192,-.9747,1.9284;-4.8226,-2.6127,.7361;-4.2779,-1.4177,-1.3011;-5.6906,-.3709,.3845;-3.944,-3.2419,.6269;-5.6592,-3.0404,.1913;-5.0743,-2.4995,1.7864;-5.1828,-1.8132,-1.7535;-3.455,-2.111,-1.4482;-4.0372,-.4491,-1.7235;-5.5183,.5746,-.1209;-5.821,-.214,1.4517;-6.5688,-.8553,-.0322;-1.5291,-.0218,-1.4399;-.8496,-.6357,-1.7742;.3738,-.2966,-1.1402;1.3442,-1.4251,-1.3997;.2362,-.1742,-.0591;.7587,.6547,-1.5302;2.6978,-1.1535,-.9182;1.3487,-1.6585,-2.477;.9764,-2.3182,-.8898;3.4298,-2.4183,-.8033;3.387,-.2044,-1.7824;4.8395,-2.2946,-.297;2.8619,-3.0584,-.1238;3.4693,-2.9357,-1.7753;3.5865,-.614,-2.7832;2.7869,.697,-1.8987;4.3355,.0948,-1.3376;4.8234,-1.7086,.9952;5.2706,-3.3021,-.2664;5.4589,-1.7079,-.9847;5.735,-1.6273,1.2945;2.6902,-.13,.6432;2.6861,.6143,1.2994;2.1394,2.5618,.6541;1.7708,.3113,2.2901;1.2389,-.8204,2.2479;1.5898,1.2252,3.1192;</scalar>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2762770 0.1270132 0.1121602</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
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<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</property>
</atom>
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
<atom elementType="H" id="a48" x3="5.307048" y3="-3.292363" z3="-0.248302">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
<atom elementType="H" id="a53" x3="2.136723" y3="2.524476" z3="0.491751">
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</property>
</atom>
<atom elementType="C" id="a54" x3="1.968016" y3="0.396295" z3="2.287989">
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</property>
</atom>
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</property>
</atom>
<atom elementType="O" id="a56" x3="1.844788" y3="1.332412" z3="3.102418">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0536,2.6557,.4465;-.8347,3.0227,-.4579;-.0986,3.4793,-1.524;1.2348,3.3831,-1.2481;-.5703,3.8502,-2.4196;1.3094,2.8639,.0146;2.1141,3.6339,-1.8156;-.1613,2.2274,1.4127;-2.2256,1.8936,-.5408;-2.7829,1.0742,-.5545;-3.0557,.7187,.7858;-3.3652,-.7436,.9301;-2.1857,.8949,1.4281;-3.8683,1.3301,1.1935;-4.5997,-1.2484,.1989;-2.5418,-1.3653,.5798;-3.5358,-.9572,1.9837;-4.9499,-2.5808,.7754;-4.3265,-1.4249,-1.2605;-5.7545,-.3236,.3783;-4.0868,-3.2344,.6885;-5.7877,-2.9902,.2185;-5.2187,-2.4512,1.8196;-5.2241,-1.8222,-1.726;-3.5053,-2.1262,-1.376;-4.0688,-.4654,-1.6932;-5.5487,.6115,-.1334;-5.908,-.1519,1.44;-6.6333,-.7922,-.0549;-1.5552,-.098,-1.3285;-.8885,-.7409,-1.6356;.3625,-.3543,-1.0891;1.3279,-1.492,-1.3279;.2804,-.1644,-.0117;.7171,.5731,-1.5573;2.6998,-1.1927,-.9194;1.2877,-1.7849,-2.3898;.9873,-2.3564,-.7536;3.4415,-2.4476,-.7671;3.3499,-.29,-1.8607;4.8682,-2.2904,-.3203;2.9033,-3.0526,-.0335;3.447,-3.0157,-1.7111;3.5195,-.7559,-2.8421;2.738,.5984,-2.0088;4.3099,.0421,-1.4671;4.8955,-1.6301,.9357;5.307,-3.2924,-.2483;5.4581,-1.7409,-1.0624;5.8169,-1.5204,1.1932;2.7562,-.0849,.5819;2.7839,.6855,1.2076;2.1367,2.5245,.4918;1.968,.3963,2.288;1.4581,-.7451,2.326;1.8448,1.3324,3.1024;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2769206 0.1236449 0.1094152</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.11999" y3="2.676203" z3="0.476798">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.779629" y3="3.045979" z3="-0.414288">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.056547" y3="3.505526" z3="-1.48937">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.281154" y3="3.413123" z3="-1.228629">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.539884" y3="3.878543" z3="-2.377878">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.369257" y3="2.883375" z3="0.027135">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="2.153754" y3="3.666253" z3="-1.805185">
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</property>
</atom>
<atom elementType="H" id="a8" x3="-0.074218" y3="2.245772" z3="1.446461">
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</property>
</atom>
<atom elementType="H" id="a9" x3="-2.17426" y3="1.904263" z3="-0.479314">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<property dictRef="g:atomicType">
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</property>
</atom>
<atom elementType="H" id="a53" x3="2.197299" y3="2.552575" z3="0.503679">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="1.84211" y3="0.37846" z3="2.262557">
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</property>
</atom>
<atom elementType="O" id="a55" x3="1.277088" y3="-0.736694" z3="2.248573">
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</property>
</atom>
<atom elementType="O" id="a56" x3="1.716954" y3="1.308559" z3="3.084155">
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.12,2.6762,.4768;-.7796,3.046,-.4143;-.0565,3.5055,-1.4894;1.2812,3.4131,-1.2286;-.5399,3.8785,-2.3779;1.3693,2.8834,.0271;2.1538,3.6663,-1.8052;-.0742,2.2458,1.4465;-2.1743,1.9043,-.4793;-2.7309,1.085,-.5104;-2.9292,.6423,.8167;-3.2621,-.8204,.8745;-2.0189,.7536,1.4171;-3.7016,1.2389,1.3132;-4.5463,-1.2419,.1779;-2.4738,-1.4337,.4381;-3.3804,-1.1044,1.9186;-4.9142,-2.5964,.6868;-4.3428,-1.3267,-1.3011;-5.6562,-.2918,.4727;-4.0786,-3.2692,.5168;-5.7903,-2.9436,.1471;-5.1288,-2.5243,1.7485;-5.2663,-1.6805,-1.7507;-3.5375,-2.0269,-1.4989;-4.0881,-.3441,-1.6812;-5.4317,.6694,.0205;-5.756,-.1914,1.5498;-6.5711,-.6938,.0482;-1.546,-.0233,-1.4023;-.8778,-.652,-1.7365;.3653,-.3062,-1.1435;1.3062,-1.467,-1.3711;.2549,-.1241,-.0673;.7631,.6139,-1.5913;2.6741,-1.2092,-.9197;1.2869,-1.739,-2.4391;.9289,-2.3327,-.8221;3.3812,-2.4805,-.749;3.3744,-.3135,-1.8306;4.7936,-2.3449,-.2554;2.8101,-3.074,-.0311;3.4033,-3.0505,-1.6919;3.5749,-.7771,-2.8072;2.7812,.584,-1.9976;4.3234,.0025,-1.3983;4.7805,-1.68,.998;5.2185,-3.3513,-.1656;5.4151,-1.8024,-.9769;5.6914,-1.5923,1.2982;2.7114,-.1211,.6085;2.7346,.6418,1.2393;2.1973,2.5526,.5037;1.8421,.3785,2.2626;1.2771,-.7367,2.2486;1.717,1.3086,3.0842;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2755652 0.1271449 0.1118192</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.054192" y3="2.647896" z3="0.410513">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.861609" y3="3.020895" z3="-0.463592">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.157988" y3="3.471794" z3="-1.554407">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.182954" y3="3.36422" z3="-1.324132">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.656884" y3="3.846802" z3="-2.433409">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.296491" y3="2.84551" z3="-0.064253">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="2.044363" y3="3.607407" z3="-1.92167">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.130486" y3="2.221721" z3="1.383983">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-2.243933" y3="1.868577" z3="-0.513436">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a10" x3="-2.79172" y3="1.043463" z3="-0.521544">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-3.070059" y3="0.698256" z3="0.820351">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</property>
</atom>
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</property>
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</property>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
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</atom>
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</atom>
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</property>
</atom>
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</atom>
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</property>
</atom>
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</atom>
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</atom>
<atom elementType="O" id="a56" x3="2.006636" y3="1.403211" z3="3.07996">
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0542,2.6479,.4105;-.8616,3.0209,-.4636;-.158,3.4718,-1.5544;1.183,3.3642,-1.3241;-.6569,3.8468,-2.4334;1.2965,2.8455,-.0643;2.0444,3.6074,-1.9217;-.1305,2.2217,1.384;-2.2439,1.8686,-.5134;-2.7917,1.0435,-.5215;-3.0701,.6983,.8204;-3.4162,-.7561,.9638;-2.1953,.8539,1.4615;-3.867,1.3299,1.2276;-4.6532,-1.2301,.2172;-2.6044,-1.3994,.6254;-3.6055,-.9624,2.0156;-5.0441,-2.5543,.7866;-4.365,-1.4105,-1.2391;-5.788,-.2787,.3837;-4.1981,-3.2308,.7051;-5.8875,-2.9388,.2204;-5.3193,-2.4211,1.8286;-5.262,-1.7969,-1.7146;-3.5514,-2.1221,-1.3434;-4.089,-.4548,-1.6688;-5.5537,.653,-.1217;-5.9528,-.1074,1.4439;-6.6711,-.7253,-.0637;-1.5683,-.1518,-1.2525;-.9087,-.8068,-1.551;.3566,-.397,-1.0571;1.3222,-1.5363,-1.2882;.3082,-.1731,.0159;.6902,.5167,-1.5657;2.7019,-1.2187,-.9201;1.2584,-1.86,-2.3399;1.0005,-2.3852,-.681;3.453,-2.4645,-.7429;3.3283,-.3444,-1.9036;4.8856,-2.2843,-.3234;2.9309,-3.0495,.0179;3.4464,-3.0611,-1.6691;3.4882,-.8442,-2.8698;2.7054,.5318,-2.0746;4.2906,.0117,-1.5374;4.9279,-1.5853,.9113;5.3336,-3.2803,-.2283;5.4596,-1.7531,-1.0909;5.8523,-1.4586,1.1495;2.7888,-.0613,.5405;2.8357,.7265,1.1437;2.1374,2.4965,.3843;2.0872,.4525,2.2773;1.5882,-.6905,2.366;2.0066,1.4032,3.08;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2778580 0.1216200 0.1078019</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.018232" y3="2.718503" z3="0.61492">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.765548" y3="3.10603" z3="-0.373792">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
<atom elementType="N" id="a6" x3="1.313666" y3="2.921288" z3="0.317009">
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</property>
</atom>
<atom elementType="H" id="a7" x3="2.314656" y3="3.703032" z3="-1.408965">
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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<bondArray/>
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</module>
<module cmlx:templateRef="l202.rotconst">
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<module cmlx:templateRef="l202.orient">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2748125 0.1272157 0.1119754</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.029185" y3="2.648751" z3="0.404335">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.884551" y3="3.031119" z3="-0.468222">
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</property>
</atom>
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</property>
</atom>
<atom elementType="C" id="a4" x3="1.1621" y3="3.356083" z3="-1.330923">
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</property>
</atom>
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</property>
</atom>
<atom elementType="N" id="a6" x3="1.272895" y3="2.835475" z3="-0.071502">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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<bondArray/>
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<property dictRef="cml:molmass">
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</property>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2778624 0.1208286 0.1071784</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0439,2.685,.5331;-.8219,3.0901,-.3762;-.0614,3.5824,-1.4089;1.2659,3.468,-1.1081;-.512,3.9892,-2.2999;1.3096,2.9002,.1346;2.1584,3.7333,-1.6476;-.187,2.2248,1.4809;-2.211,1.9408,-.5363;-2.7418,1.1061,-.5712;-2.9498,.6779,.76;-3.2144,-.7973,.8442;-2.0576,.844,1.3743;-3.758,1.248,1.2307;-4.4755,-1.296,.1575;-2.3968,-1.379,.4186;-3.3212,-1.0683,1.8932;-4.764,-2.6628,.6857;-4.2784,-1.3887,-1.322;-5.6367,-.4083,.4484;-3.8926,-3.2902,.5228;-5.6207,-3.0669,.1541;-4.9799,-2.5892,1.7473;-5.1888,-1.7875,-1.7605;-3.4463,-2.0575,-1.5189;-4.0702,-.4008,-1.7161;-5.4782,.5561,-.0245;-5.7313,-.2938,1.5246;-6.5294,-.8744,.0419;-1.5201,.0186,-1.4467;-.8448,-.5933,-1.7956;.3899,-.2583,-1.1793;1.3441,-1.4023,-1.4348;.2675,-.1148,-.0987;.7818,.6814,-1.5899;2.7001,-1.1538,-.9453;1.3495,-1.6343,-2.5123;.9606,-2.2896,-.9263;3.4135,-2.4272,-.8196;3.4112,-.2146,-1.8021;4.8073,-2.3114,-.2692;2.8229,-3.0637,-.1564;3.4738,-2.9431,-1.7914;3.6224,-.6298,-2.7981;2.8214,.6915,-1.9312;4.3553,.078,-1.3438;4.7492,-1.7174,1.0187;5.2343,-3.3197,-.2198;5.4508,-1.7287,-.9382;5.6484,-1.6533,1.3575;2.6857,-.1344,.6326;2.6684,.6081,1.2895;2.1208,2.5483,.6268;1.7533,.2878,2.278;1.22,-.8414,2.2136;1.576,1.1879,3.1232;</scalar>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2723291 0.1288586 0.1128947</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2775889 0.1209008 0.1072251</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.071613" y3="2.717287" z3="0.630593">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.748537" y3="3.137459" z3="-0.311654">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
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</property>
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2645365 0.1392157 0.1191676</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.075051" y3="2.687592" z3="0.52881">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.798468" y3="3.085086" z3="-0.375742">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.048908" y3="3.584998" z3="-1.412815">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.28119" y3="3.485267" z3="-1.116735">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.507884" y3="3.987468" z3="-2.301427">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.336434" y3="2.913252" z3="0.124382">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="2.168617" y3="3.760776" z3="-1.659424">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.148024" y3="2.224148" z3="1.476838">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-2.188788" y3="1.940454" z3="-0.517217">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a10" x3="-2.734779" y3="1.115793" z3="-0.555959">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.93007" y3="0.675372" z3="0.773021">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a12" x3="-3.200179" y3="-0.799569" z3="0.847505">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a13" x3="-2.031081" y3="0.83187" z3="1.380101">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a14" x3="-3.731287" y3="1.244135" z3="1.256754">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a15" x3="-4.466299" y3="-1.290397" z3="0.163127">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a16" x3="-2.386544" y3="-1.380289" z3="0.413457">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a17" x3="-3.301796" y3="-1.077765" z3="1.895112">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-4.758998" y3="-2.658129" z3="0.68744">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.274522" y3="-1.37963" z3="-1.317255">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-5.621523" y3="-0.396901" z3="0.460536">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a36" x3="2.677615" y3="-1.168384" z3="-0.942624">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a39" x3="3.373216" y3="-2.450229" z3="-0.806561">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a48" x3="5.182787" y3="-3.362564" z3="-0.204202">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="5.418751" y3="-1.77992" z3="-0.935488">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="5.622973" y3="-1.686563" z3="1.357816">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="2.674677" y3="-0.139162" z3="0.622503">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a52" x3="2.66999" y3="0.605305" z3="1.277129">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a53" x3="2.151618" y3="2.564441" z3="0.611803">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="1.755837" y3="0.302482" z3="2.270035">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a55" x3="1.196587" y3="-0.814324" z3="2.206109">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a56" x3="1.604928" y3="1.203033" z3="3.119887">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0751,2.6876,.5288;-.7985,3.0851,-.3757;-.0489,3.585,-1.4128;1.2812,3.4853,-1.1167;-.5079,3.9875,-2.3014;1.3364,2.9133,.1244;2.1686,3.7608,-1.6594;-.148,2.2241,1.4768;-2.1888,1.9405,-.5172;-2.7348,1.1158,-.556;-2.9301,.6754,.773;-3.2002,-.7996,.8475;-2.0311,.8319,1.3801;-3.7313,1.2441,1.2568;-4.4663,-1.2904,.1631;-2.3865,-1.3803,.4135;-3.3018,-1.0778,1.8951;-4.759,-2.6581,.6874;-4.2745,-1.3796,-1.3173;-5.6215,-.3969,.4605;-3.893,-3.2899,.5131;-5.6231,-3.0537,.1616;-4.9645,-2.5882,1.7513;-5.1872,-1.7749,-1.754;-3.4435,-2.0487,-1.5194;-4.0658,-.3909,-1.7093;-5.4586,.5673,-.011;-5.7118,-.2842,1.5374;-6.5186,-.856,.0564;-1.5323,.0346,-1.4642;-.8576,-.577,-1.814;.3761,-.2491,-1.1925;1.3202,-1.4042,-1.4349;.2479,-.0959,-.1137;.7783,.6838,-1.608;2.6776,-1.1684,-.9426;1.3272,-1.6459,-2.5104;.9252,-2.2833,-.9209;3.3732,-2.4502,-.8066;3.4066,-.2445,-1.8017;4.7694,-2.349,-.2603;2.7745,-3.0727,-.1374;3.4251,-2.9749,-1.7741;3.6186,-.6699,-2.7932;2.8309,.6688,-1.9411;4.352,.038,-1.3395;4.7219,-1.7446,1.0229;5.1828,-3.3626,-.2042;5.4188,-1.7799,-.9355;5.623,-1.6866,1.3578;2.6747,-.1392,.6225;2.67,.6053,1.2771;2.1516,2.5644,.6118;1.7558,.3025,2.27;1.1966,-.8143,2.2061;1.6049,1.203,3.1199;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2711893 0.1296280 0.1132758</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.035224" y3="2.663464" z3="0.442231">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.865568" y3="3.05111" z3="-0.441184">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.142699" y3="3.503417" z3="-1.518581">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.19416" y3="3.384141" z3="-1.269816">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.62596" y3="3.888493" z3="-2.401962">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.285994" y3="2.855468" z3="-0.012456">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="2.065731" y3="3.624773" z3="-1.853494">
<property dictRef="g:atomicType">
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</property>
</atom>
<atom elementType="H" id="a8" x3="-0.166208" y3="2.232073" z3="1.409953">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-2.247034" y3="1.886592" z3="-0.527961">
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</atom>
<atom elementType="O" id="a10" x3="-2.783296" y3="1.055057" z3="-0.540323">
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</property>
</atom>
<atom elementType="C" id="a11" x3="-3.052821" y3="0.697756" z3="0.800696">
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</property>
</atom>
<atom elementType="C" id="a12" x3="-3.380132" y3="-0.761335" z3="0.9375">
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</property>
</atom>
<atom elementType="H" id="a13" x3="-2.176308" y3="0.858684" z3="1.438309">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0352,2.6635,.4422;-.8656,3.0511,-.4412;-.1427,3.5034,-1.5186;1.1942,3.3841,-1.2698;-.626,3.8885,-2.402;1.286,2.8555,-.0125;2.0657,3.6248,-1.8535;-.1662,2.2321,1.41;-2.247,1.8866,-.528;-2.7833,1.0551,-.5403;-3.0528,.6978,.8007;-3.3801,-.7613,.9375;-2.1763,.8587,1.4383;-3.8545,1.318,1.2159;-4.6196,-1.2477,.2036;-2.5643,-1.3912,.5843;-3.5535,-.9777,1.9901;-4.9775,-2.5852,.7639;-4.3516,-1.4089,-1.2586;-5.7669,-.3166,.3988;-4.1202,-3.2447,.6629;-5.8218,-2.9797,.2061;-5.2393,-2.4679,1.8112;-5.2501,-1.8043,-1.724;-3.5285,-2.1066,-1.384;-4.098,-.4448,-1.6832;-5.5563,.6234,-.1017;-5.9155,-.1578,1.4633;-6.6507,-.7726,-.0374;-1.5607,-.1255,-1.2907;-.8962,-.771,-1.5981;.3625,-.3689,-1.0812;1.3298,-1.5058,-1.317;.2986,-.1599,-.0062;.7028,.5521,-1.5719;2.7057,-1.1958,-.9294;1.2777,-1.8135,-2.3741;1,-2.3634,-.7265;3.4547,-2.4446,-.7675;3.3422,-.3039,-1.8901;4.8825,-2.2724,-.329;2.9237,-3.0446,-.0246;3.4595,-3.0231,-1.7052;3.5057,-.7837,-2.8659;2.7248,.5791,-2.0461;4.304,.0395,-1.5105;4.9104,-1.5895,.9148;5.3277,-3.2703,-.241;5.4665,-1.7326,-1.083;5.8319,-1.4791,1.1716;2.7739,-.0719,.5612;2.8001,.7034,1.1808;2.1181,2.4984,.446;2.0262,.3975,2.2891;1.5421,-.7541,2.3427;1.9103,1.3313,3.1067;</scalar>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2766327 0.1227493 0.1086622</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</atomArray>
<bondArray/>
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<property dictRef="cml:molmass">
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</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1043,2.7036,.5597;-.7139,3.0768,-.4073;.1117,3.5041,-1.4177;1.4195,3.3924,-1.0375;-.2843,3.8682,-2.3517;1.3954,2.9005,.2375;2.3431,3.6234,-1.5385;-.1969,2.2855,1.5058;-2.0921,1.9165,-.5879;-2.6743,1.1181,-.6002;-2.896,.7005,.7329;-3.1991,-.7666,.8116;-2.0012,.8416,1.3499;-3.6939,1.2887,1.1991;-4.4781,-1.224,.1303;-2.3999,-1.3639,.374;-3.3049,-1.0438,1.8585;-4.7739,-2.6043,.6247;-4.3158,-1.2809,-1.3544;-5.6074,-.3097,.4696;-3.9094,-3.2311,.424;-5.643,-2.9851,.0987;-4.9638,-2.5556,1.6924;-5.2492,-1.64,-1.7785;-3.5004,-1.9564,-1.6;-4.0981,-.2864,-1.7242;-5.4236,.6608,.0177;-5.6714,-.2187,1.5508;-6.5287,-.7271,.0763;-1.5538,-.0473,-1.5295;-.8543,-.6454,-1.8502;.3331,-.2997,-1.1578;1.3146,-1.4279,-1.366;.1326,-.1658,-.0878;.7357,.6483,-1.5375;2.6604,-1.136,-.8747;1.3394,-1.6823,-2.4385;.9399,-2.3149,-.8497;3.4111,-2.3885,-.7584;3.3426,-.1729,-1.7294;4.8354,-2.2426,-.3038;2.8676,-3.0302,-.0604;3.4356,-2.9146,-1.7257;3.5405,-.5675,-2.7367;2.7404,.7291,-1.8294;4.2923,.1213,-1.283;4.8531,-1.608,.9612;5.2689,-3.2475,-.2434;5.4305,-1.6837,-1.0352;5.7718,-1.5541,1.243;2.6375,-.1691,.679;2.5934,.5392,1.3687;2.1777,2.5516,.7767;1.602,.1683,2.2451;1.0949,-.9638,2.079;1.3275,1.0192,3.1141;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2815355 0.1302330 0.1145832</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.081771" y3="2.701043" z3="0.541897">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.784402" y3="3.080699" z3="-0.378407">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.022502" y3="3.544161" z3="-1.423479">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.304611" y3="3.442588" z3="-1.117226">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.472499" y3="3.92519" z3="-2.326034">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.34778" y3="2.907487" z3="0.139352">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="2.197353" y3="3.695227" z3="-1.662357">
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</property>
</atom>
<atom elementType="H" id="a8" x3="-0.149052" y3="2.266848" z3="1.501729">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-2.186492" y3="1.953604" z3="-0.500161">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
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</property>
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2721975 0.1301176 0.1139760</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.07787" y3="2.713056" z3="0.578228">
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</property>
</atom>
<atom elementType="N" id="a2" x3="-0.783542" y3="3.118155" z3="-0.334958">
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</property>
</atom>
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</property>
</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
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<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0779,2.7131,.5782;-.7835,3.1182,-.335;-.0171,3.6064,-1.3656;1.309,3.4948,-1.0558;-.4627,4.0113,-2.2599;1.346,2.9255,.1861;2.2044,3.7597,-1.5906;-.1572,2.2552,1.5259;-2.1787,1.9721,-.4953;-2.7115,1.1397,-.5467;-2.8762,.6541,.7708;-3.1259,-.8256,.8005;-1.9678,.8015,1.366;-3.6747,1.196,1.2885;-4.4074,-1.3068,.139;-2.3195,-1.381,.3219;-3.1926,-1.1416,1.8402;-4.6604,-2.7004,.6137;-4.2665,-1.3284,-1.3493;-5.5636,-.4445,.5156;-3.7894,-3.3081,.3858;-5.5337,-3.0899,.0989;-4.8323,-2.678,1.6855;-5.1883,-1.7178,-1.772;-3.4336,-1.9745,-1.61;-4.0856,-.3203,-1.7038;-5.4294,.5418,.0818;-5.6159,-.38,1.5989;-6.4687,-.8983,.1236;-1.5176,.107,-1.513;-.8361,-.4781,-1.894;.3847,-.1927,-1.2277;1.3198,-1.3515,-1.4875;.2283,-.0768,-.1483;.8128,.7483,-1.5967;2.6667,-1.1462,-.9547;1.3495,-1.5541,-2.5705;.9032,-2.244,-1.0152;3.3466,-2.4378,-.8345;3.4256,-.2067,-1.7692;4.727,-2.3643,-.2451;2.7234,-3.0736,-.2011;3.4234,-2.9356,-1.8145;3.6588,-.6065,-2.7667;2.8608,.7153,-1.8975;4.3612,.0544,-1.2756;4.647,-1.7931,1.0516;5.1296,-3.3828,-.2034;5.4009,-1.784,-.886;5.5362,-1.7691,1.4207;2.6324,-.1665,.6464;2.6083,.5631,1.3153;2.1515,2.5706,.6839;1.6584,.2415,2.2678;1.0967,-.8705,2.1574;1.481,1.1224,3.133;</scalar>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2694943 0.1323013 0.1152221</array>
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</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
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<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</property>
</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2656104 0.1353692 0.1170531</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.091135" y3="2.759718" z3="0.593019">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.791983" y3="3.169469" z3="-0.297268">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.048713" y3="3.64333" z3="-1.352119">
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</property>
</atom>
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</property>
</atom>
<atom elementType="H" id="a5" x3="-0.51493" y3="4.050629" z3="-2.234726">
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</property>
</atom>
<atom elementType="N" id="a6" x3="1.350634" y3="2.954259" z3="0.162669">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</property>
</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
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</property>
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2661252 0.1342987 0.1160992</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.080339" y3="2.779678" z3="0.622634">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.798498" y3="3.202487" z3="-0.266127">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.049386" y3="3.680803" z3="-1.314888">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.281339" y3="3.542953" z3="-1.042536">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.510769" y3="4.096954" z3="-2.19587">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.342367" y3="2.973249" z3="0.198535">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="2.166261" y3="3.792546" z3="-1.60177">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.138386" y3="2.3225" z3="1.574709">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-2.1885" y3="2.016533" z3="-0.417869">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a10" x3="-2.700581" y3="1.175068" z3="-0.486529">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.817313" y3="0.636609" z3="0.816068">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a12" x3="-3.026306" y3="-0.849831" z3="0.798152">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a13" x3="-1.898274" y3="0.789117" z3="1.392833">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a14" x3="-3.617057" y3="1.136532" z3="1.37231">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a16" x3="-2.207346" y3="-1.366569" z3="0.297878">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a17" x3="-3.076205" y3="-1.198986" z3="1.828013">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-4.50185" y3="-2.764798" z3="0.553381">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.170872" y3="-1.317935" z3="-1.360238">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
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</property>
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</property>
</atom>
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a52" x3="2.555875" y3="0.556542" z3="1.289268">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a53" x3="2.157507" y3="2.596388" z3="0.665927">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="1.636789" y3="0.198481" z3="2.258766">
<property dictRef="g:atomicType">
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</property>
</atom>
<atom elementType="O" id="a55" x3="1.089239" y3="-0.920172" z3="2.138995">
<property dictRef="g:atomicType">
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</property>
</atom>
<atom elementType="O" id="a56" x3="1.468325" y3="1.054393" z3="3.150799">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0803,2.7797,.6226;-.7985,3.2025,-.2661;-.0494,3.6808,-1.3149;1.2813,3.543,-1.0425;-.5108,4.097,-2.1959;1.3424,2.9732,.1985;2.1663,3.7925,-1.6018;-.1384,2.3225,1.5747;-2.1885,2.0165,-.4179;-2.7006,1.1751,-.4865;-2.8173,.6366,.8161;-3.0263,-.8498,.7982;-1.8983,.7891,1.3928;-3.6171,1.1365,1.3723;-4.2976,-1.3475,.1288;-2.2073,-1.3666,.2979;-3.0762,-1.199,1.828;-4.5019,-2.7648,.5534;-4.1709,-1.3179,-1.3602;-5.4784,-.5377,.543;-3.6168,-3.3365,.2888;-5.3716,-3.159,.0362;-4.6579,-2.7884,1.6275;-5.0807,-1.7315,-1.7858;-3.3144,-1.9208,-1.6471;-4.0352,-.2932,-1.6863;-5.385,.4642,.1354;-5.5222,-.5047,1.6279;-6.3713,-1.0119,.1471;-1.5494,.1786,-1.5175;-.8721,-.3836,-1.9393;.3538,-.1299,-1.2709;1.2596,-1.3156,-1.5137;.1921,-.0016,-.1938;.8076,.7973,-1.6434;2.6087,-1.1402,-.9763;1.2882,-1.5338,-2.5939;.8176,-2.1909,-1.0323;3.2536,-2.4481,-.8437;3.3992,-.2276,-1.7923;4.6327,-2.4127,-.2454;2.6064,-3.064,-.2148;3.3261,-2.9511,-1.8214;3.6343,-.6443,-2.7823;2.8607,.7073,-1.937;4.3357,.0159,-1.2911;4.5693,-1.8225,1.0436;4.9998,-3.4438,-.1898;5.3289,-1.8647,-.8908;5.4544,-1.8442,1.4228;2.5802,-.1645,.6074;2.5559,.5565,1.2893;2.1575,2.5964,.6659;1.6368,.1985,2.2588;1.0892,-.9202,2.139;1.4683,1.0544,3.1508;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2634705 0.1366269 0.1175202</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.405707" y3="2.747731" z3="0.491608">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.616021" y3="3.177623" z3="-0.166754">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.079871" y3="3.838317" z3="-1.272788">
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</property>
</atom>
<atom elementType="C" id="a4" x3="1.310515" y3="3.748422" z3="-1.235258">
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</property>
</atom>
<atom elementType="H" id="a5" x3="-0.706767" y3="4.323128" z3="-2.006751">
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</property>
</atom>
<atom elementType="N" id="a6" x3="1.534194" y3="3.050767" z3="-0.094125">
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</property>
</atom>
<atom elementType="H" id="a7" x3="2.097919" y3="4.105196" z3="-1.875858">
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</property>
</atom>
<atom elementType="H" id="a8" x3="0.408037" y3="2.200475" z3="1.416886">
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</property>
</atom>
<atom elementType="H" id="a9" x3="-1.950078" y3="1.90895" z3="-0.157979">
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</property>
</atom>
<atom elementType="O" id="a10" x3="-2.503101" y3="1.064129" z3="-0.20693">
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</property>
</atom>
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</property>
</atom>
<atom elementType="C" id="a12" x3="-2.709877" y3="-1.151051" z3="0.602484">
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</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
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</property>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2603693 0.1514790 0.1232167</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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<bondArray/>
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2428818 0.1638464 0.1323563</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.055368" y3="2.836564" z3="0.707338">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.816984" y3="3.312774" z3="-0.158929">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.059311" y3="3.837572" z3="-1.179125">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.269319" y3="3.681272" z3="-0.904906">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.512839" y3="4.297683" z3="-2.042209">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.320121" y3="3.046107" z3="0.305515">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
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</property>
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2530991 0.1481154 0.1240275</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1352,2.8504,.7789;-.7495,3.3728,-.0457;-.011,3.9507,-1.049;1.3184,3.7618,-.8171;-.4781,4.4613,-1.8756;1.3936,3.0674,.3619;2.1981,4.056,-1.3628;-.0872,2.3093,1.6848;-2.1158,2.1532,-.3028;-2.5912,1.2952,-.423;-2.46,.5703,.7898;-2.5895,-.915,.5995;-1.4615,.7033,1.2263;-3.1765,.933,1.5342;-3.9246,-1.4375,.0867;-1.8337,-1.2927,-.0898;-2.4348,-1.3949,1.5642;-3.9439,-2.9139,.3223;-4.0792,-1.2069,-1.3835;-5.0703,-.8173,.8091;-3.0812,-3.3537,-.1695;-4.8617,-3.3186,-.0933;-3.9038,-3.099,1.392;-5.0266,-1.6359,-1.6961;-3.258,-1.6981,-1.8978;-4.0685,-.1412,-1.5828;-5.1393,.2322,.5417;-4.9179,-.9255,1.8795;-5.978,-1.3316,.5072;-1.5452,.5264,-1.7067;-.8797,-.0039,-2.1878;.3445,.1506,-1.4832;1.1398,-1.121,-1.6729;.1593,.2923,-.4103;.8876,1.0371,-1.8325;2.447,-1.1109,-1.0243;1.2262,-1.3477,-2.7489;.5631,-1.9368,-1.229;2.9293,-2.4888,-.8863;3.406,-.2645,-1.722;4.2419,-2.6428,-.1672;2.1605,-3.0464,-.3468;3.036,-2.9633,-1.8753;3.7083,-.6829,-2.693;2.9814,.7225,-1.8962;4.3009,-.128,-1.1158;4.1318,-2.1125,1.1462;4.4777,-3.7125,-.1382;5.0548,-2.1569,-.7188;4.9701,-2.2588,1.5972;2.3189,-.1856,.5305;2.3071,.4537,1.2965;2.205,2.6281,.773;1.3322,.0539,2.1743;.6581,-.9582,1.8628;1.2231,.7641,3.1985;</scalar>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2473486 0.1563371 0.1278795</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</property>
</atom>
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</property>
</atom>
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
<atom elementType="C" id="a54" x3="1.29323" y3="-0.021699" z3="2.171172">
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</property>
</atom>
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</property>
</atom>
<atom elementType="O" id="a56" x3="1.078843" y3="0.695446" z3="3.170174">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1164,2.9446,.8577;-.7494,3.3946,-.0343;.0247,3.8207,-1.0928;1.3481,3.6409,-.8258;-.42,4.2424,-1.9791;1.3845,3.0841,.4199;2.2405,3.8547,-1.3886;-.1163,2.5175,1.8213;-2.133,2.1636,-.1815;-2.6018,1.3113,-.3396;-2.5294,.5703,.8588;-2.629,-.9117,.6438;-1.5615,.7162,1.3473;-3.2897,.9114,1.5683;-3.9147,-1.4554,.0318;-1.8301,-1.2763,.0005;-2.5341,-1.3923,1.6151;-3.9295,-2.9272,.28;-3.9572,-1.2408,-1.4463;-5.1241,-.8372,.6452;-3.024,-3.3547,-.1456;-4.8071,-3.3502,-.1994;-3.9629,-3.0963,1.3523;-4.8831,-1.6654,-1.8227;-3.1019,-1.7392,-1.8966;-3.9246,-.1769,-1.6511;-5.1729,.2067,.35;-5.0681,-.9219,1.7262;-5.9986,-1.3652,.2767;-1.5389,.5769,-1.6281;-.8471,.1373,-2.1589;.3589,.2182,-1.4224;1.1436,-1.0518,-1.6613;.1413,.3305,-.3558;.9327,1.1017,-1.7292;2.451,-1.0553,-1.0116;1.2289,-1.2315,-2.746;.5707,-1.8909,-1.2588;2.9327,-2.4341,-.9061;3.4083,-.1968,-1.6989;4.2559,-2.6177,-.2117;2.1632,-3.0004,-.376;3.0314,-2.8785,-1.9087;3.7036,-.5956,-2.6797;2.9861,.795,-1.8486;4.3083,-.0741,-1.0957;4.1749,-2.141,1.1217;4.4848,-3.6893,-.228;5.0607,-2.1151,-.7603;5.0095,-2.3487,1.5542;2.3443,-.2025,.555;2.2742,.4432,1.3224;2.2039,2.6709,.852;1.2932,-.0217,2.1712;.7312,-1.1004,1.8684;1.0788,.6954,3.1702;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2496842 0.1564859 0.1283441</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.104969" y3="2.851197" z3="0.757847">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.770371" y3="3.320715" z3="-0.110799">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.016243" y3="3.828479" z3="-1.142664">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.311908" y3="3.660807" z3="-0.883205">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.473642" y3="4.284749" z3="-2.005548">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.367947" y3="3.042953" z3="0.335632">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="2.198467" y3="3.920932" z3="-1.435174">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.12012" y3="2.368724" z3="1.696011">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-2.152664" y3="2.116327" z3="-0.305642">
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</property>
</atom>
<atom elementType="O" id="a10" x3="-2.638826" y3="1.264735" z3="-0.42208">
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</property>
</atom>
<atom elementType="C" id="a11" x3="-2.605774" y3="0.585835" z3="0.81945">
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</property>
</atom>
<atom elementType="C" id="a12" x3="-2.744046" y3="-0.902124" z3="0.669948">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a52" x3="2.381856" y3="0.478479" z3="1.316905">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a53" x3="2.183414" y3="2.637803" z3="0.777783">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="1.412379" y3="0.070132" z3="2.207422">
<property dictRef="g:atomicType">
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</property>
</atom>
<atom elementType="O" id="a55" x3="0.813136" y3="-1.000087" z3="1.950063">
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</property>
</atom>
<atom elementType="O" id="a56" x3="1.244342" y3="0.832162" z3="3.182702">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.105,2.8512,.7578;-.7704,3.3207,-.1108;-.0162,3.8285,-1.1427;1.3119,3.6608,-.8832;-.4736,4.2847,-2.0055;1.3679,3.043,.3356;2.1985,3.9209,-1.4352;-.1201,2.3687,1.696;-2.1527,2.1163,-.3056;-2.6388,1.2647,-.4221;-2.6058,.5858,.8195;-2.744,-.9021,.6699;-1.6412,.7269,1.3201;-3.3684,.9825,1.4976;-4.0474,-1.4204,.0794;-1.9531,-1.3164,.0452;-2.6678,-1.3495,1.6593;-4.1153,-2.8842,.3708;-4.0839,-1.2395,-1.4044;-5.2303,-.7476,.6868;-3.228,-3.3596,-.0383;-5.0079,-3.2894,-.0962;-4.1562,-3.0246,1.4471;-5.0148,-1.6603,-1.7734;-3.2372,-1.7637,-1.8388;-4.0327,-.1819,-1.636;-5.2499,.2923,.3758;-5.1648,-.8186,1.7688;-6.1247,-1.2524,.3337;-1.5408,.4361,-1.6356;-.8586,-.0737,-2.1142;.3549,.0842,-1.3954;1.1907,-1.1543,-1.627;.1566,.1963,-.3227;.8797,.9905,-1.7219;2.5124,-1.0968,-1.0072;1.2645,-1.3492,-2.7098;.6595,-2.0061,-1.1953;3.0521,-2.4539,-.8899;3.4164,-.2124,-1.7311;4.3899,-2.5547,-.2093;2.3216,-3.043,-.3305;3.1498,-2.9195,-1.8836;3.6963,-.6111,-2.7167;2.9513,.7607,-1.8787;4.3278,-.0492,-1.1564;4.293,-2.0331,1.1074;4.6724,-3.6134,-.1909;5.165,-2.0318,-.7814;5.1479,-2.151,1.5347;2.4155,-.1875,.5748;2.3819,.4785,1.3169;2.1834,2.6378,.7778;1.4124,.0701,2.2074;.8131,-1.0001,1.9501;1.2443,.8322,3.1827;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2531897 0.1491441 0.1243900</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.079969" y3="2.874275" z3="0.795181">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.781504" y3="3.3465" z3="-0.08642">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.011017" y3="3.851011" z3="-1.108303">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.314102" y3="3.680598" z3="-0.830105">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.455198" y3="4.307798" z3="-1.977915">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.348221" y3="3.062147" z3="0.388724">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="2.20979" y3="3.937382" z3="-1.368812">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.155656" y3="2.397003" z3="1.733401">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-2.161293" y3="2.140173" z3="-0.303333">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a10" x3="-2.62882" y3="1.279176" z3="-0.425921">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.556234" y3="0.579084" z3="0.803555">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a12" x3="-2.645499" y3="-0.909337" z3="0.626904">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</atom>
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</property>
</atom>
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.08,2.8743,.7952;-.7815,3.3465,-.0864;-.011,3.851,-1.1083;1.3141,3.6806,-.8301;-.4552,4.3078,-1.9779;1.3482,3.0621,.3887;2.2098,3.9374,-1.3688;-.1557,2.397,1.7334;-2.1613,2.1402,-.3033;-2.6288,1.2792,-.4259;-2.5562,.5791,.8036;-2.6455,-.9093,.6269;-1.5896,.7432,1.2923;-3.3216,.9369,1.5005;-3.9446,-1.4561,.0563;-1.8583,-1.2846,-.0265;-2.531,-1.3751,1.6042;-3.9581,-2.9274,.3154;-4.0182,-1.2364,-1.4207;-5.1351,-.8389,.7074;-3.0668,-3.366,-.1241;-4.848,-3.3525,-.139;-3.9681,-3.0944,1.3887;-4.9459,-1.6721,-1.7811;-3.1691,-1.7277,-1.8873;-3.9979,-.172,-1.6239;-5.1979,.208,.4278;-5.0414,-.9395,1.785;-6.0201,-1.3642,.3598;-1.5239,.5038,-1.6802;-.8327,.0199,-2.1718;.3605,.1337,-1.4108;1.1866,-1.1092,-1.6533;.1301,.2195,-.3422;.9092,1.0396,-1.6961;2.494,-1.0786,-1.0005;1.2866,-1.2772,-2.7383;.636,-1.9656,-1.2568;3.0198,-2.4428,-.9037;3.4192,-.1857,-1.6856;4.3417,-2.5662,-.1972;2.2743,-3.0383,-.3712;3.1335,-2.8871,-1.9053;3.7106,-.5604,-2.6773;2.9649,.7957,-1.8135;4.3221,-.0475,-1.0916;4.2164,-2.0715,1.1273;4.6185,-3.6266,-.1943;5.1325,-2.0357,-.7403;5.0607,-2.2023,1.5715;2.3588,-.1959,.6016;2.3051,.4588,1.3514;2.157,2.6637,.849;1.3007,.0367,2.2002;.7134,-1.029,1.9012;1.0947,.7849,3.1783;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2508516 0.1538988 0.1271148</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.095827" y3="2.913784" z3="0.855303">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.772647" y3="3.384364" z3="-0.021122">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.014999" y3="3.881513" z3="-1.054272">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.312865" y3="3.700721" z3="-0.793344">
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</property>
</atom>
<atom elementType="H" id="a5" x3="-0.468661" y3="4.337138" z3="-1.919808">
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</property>
</atom>
<atom elementType="N" id="a6" x3="1.359829" y3="3.091217" z3="0.430328">
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</property>
</atom>
<atom elementType="H" id="a7" x3="2.20311" y3="3.945657" z3="-1.34631">
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</property>
</atom>
<atom elementType="H" id="a8" x3="-0.128407" y3="2.449442" z3="1.802873">
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</property>
</atom>
<atom elementType="H" id="a9" x3="-2.153412" y3="2.174959" z3="-0.227157">
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</atom>
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</atom>
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</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</property>
</atom>
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</atom>
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</atom>
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</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2466449 0.1615125 0.1310666</array>
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</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
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<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2509447 0.1547305 0.1277554</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</property>
</atom>
<atom elementType="N" id="a2" x3="-0.751508" y3="3.341191" z3="-0.065036">
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
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</property>
</atom>
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</atom>
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<property dictRef="cml:molmass">
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</property>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2488089 0.1562174 0.1283283</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.18,2.8812,.8387;-.6984,3.3503,-.0269;.049,3.8869,-1.0478;1.3793,3.738,-.7857;-.4131,4.3453,-1.9072;1.44,3.0982,.421;2.2638,4.0171,-1.3314;-.0348,2.3728,1.7658;-2.0915,2.1778,-.2277;-2.6013,1.3422,-.3632;-2.5181,.5968,.8369;-2.5528,-.8861,.6017;-1.5646,.7756,1.3472;-3.3044,.9007,1.5363;-3.8358,-1.4593,.0211;-1.7547,-1.2037,-.07;-2.414,-1.3846,1.5594;-3.7537,-2.945,.1394;-3.9839,-1.1122,-1.4248;-5.0314,-.9778,.7691;-2.856,-3.2834,-.3705;-4.6342,-3.38,-.3245;-3.7119,-3.2125,1.1907;-4.8803,-1.599,-1.7981;-3.1108,-1.4767,-1.958;-4.0672,-.0362,-1.5258;-5.1682,.0825,.5804;-4.884,-1.161,1.8297;-5.8975,-1.5273,.4116;-1.5022,.6311,-1.7073;-.7992,.2173,-2.2398;.3835,.2443,-1.453;1.1551,-1.0267,-1.7234;.1399,.3031,-.3863;.9791,1.1324,-1.6965;2.4361,-1.0922,-1.0211;1.2889,-1.1484,-2.8111;.5499,-1.8723,-1.3877;2.8864,-2.4847,-.9595;3.4318,-.2212,-1.6312;4.1443,-2.7073,-.1664;2.078,-3.0613,-.5039;3.0443,-2.8926,-1.9705;3.7313,-.5599,-2.6335;3.0412,.7914,-1.7176;4.3227,-.1685,-1.0063;3.9295,-2.2816,1.1712;4.3805,-3.7768,-.2054;4.9955,-2.1804,-.6121;4.7444,-2.4269,1.6634;2.298,-.2395,.6229;2.2538,.3971,1.3856;2.2631,2.7327,.8755;1.2059,.0049,2.1908;.5738,-1.0221,1.8487;1.0088,.7348,3.1854;</scalar>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2446514 0.1610821 0.1307677</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
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<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
<atom elementType="H" id="a48" x3="4.353259" y3="-3.785875" z3="-0.200971">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
<atom elementType="H" id="a53" x3="2.280562" y3="2.743996" z3="0.902394">
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</property>
</atom>
<atom elementType="C" id="a54" x3="1.161353" y3="-0.038569" z3="2.188594">
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</property>
</atom>
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</property>
</atom>
<atom elementType="O" id="a56" x3="0.929896" y3="0.684701" z3="3.179977">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1979,2.8922,.8633;-.6794,3.3619,-.0029;.0667,3.893,-1.0266;1.397,3.7391,-.765;-.3955,4.3506,-1.8865;1.4579,3.1026,.4437;2.2819,4.0118,-1.3133;-.0172,2.3847,1.7909;-2.0699,2.1811,-.2129;-2.5821,1.3492,-.3527;-2.4951,.5897,.8382;-2.5335,-.8892,.5809;-1.5389,.7605,1.3467;-3.2779,.8855,1.5449;-3.8223,-1.4521,.0038;-1.7425,-1.1955,-.1039;-2.3851,-1.4037,1.5286;-3.7313,-2.9401,.0788;-3.9937,-1.0685,-1.4301;-5.0073,-.9954,.784;-2.8427,-3.2587,-.4592;-4.6192,-3.3665,-.3788;-3.6659,-3.2366,1.1211;-4.8917,-1.5529,-1.803;-3.1254,-1.4122,-1.9846;-4.0866,.0089,-1.5027;-5.1483,.0696,.6274;-4.8419,-1.2083,1.8364;-5.8783,-1.5357,.4249;-1.4907,.6527,-1.7188;-.7792,.2681,-2.2603;.3917,.2645,-1.4547;1.1558,-1.0089,-1.7336;.1324,.3086,-.391;1.0007,1.1496,-1.6741;2.4304,-1.0884,-1.0206;1.3,-1.1164,-2.8215;.5425,-1.8556,-1.4157;2.8736,-2.4829,-.9664;3.4352,-.2156,-1.6125;4.1248,-2.7145,-.1656;2.0595,-3.059,-.5205;3.0374,-2.886,-1.9785;3.7368,-.5402,-2.619;3.0524,.8013,-1.6841;4.3237,-.1791,-.9831;3.9023,-2.283,1.1686;4.3533,-3.7859,-.201;4.983,-2.1947,-.6062;4.7126,-2.4311,1.6676;2.2829,-.2525,.6413;2.2215,.3729,1.4093;2.2806,2.744,.9024;1.1614,-.0386,2.1886;.5543,-1.0738,1.8277;.9299,.6847,3.18;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2443454 0.1623008 0.1314951</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.191116" y3="2.893374" z3="0.849125">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.693251" y3="3.354276" z3="-0.014759">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="0.04528" y3="3.882709" z3="-1.045384">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.377879" y3="3.737949" z3="-0.788963">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.423672" y3="4.33375" z3="-1.905008">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.448312" y3="3.10814" z3="0.422793">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="2.258748" y3="4.013264" z3="-1.342421">
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</property>
</atom>
<atom elementType="H" id="a8" x3="-0.017032" y3="2.390601" z3="1.780965">
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</property>
</atom>
<atom elementType="H" id="a9" x3="-2.079023" y3="2.16711" z3="-0.211922">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
<atom elementType="H" id="a53" x3="2.273616" y3="2.754548" z3="0.88106">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="1.195645" y3="-0.026865" z3="2.195843">
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</property>
</atom>
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</property>
</atom>
<atom elementType="O" id="a56" x3="0.971095" y3="0.700129" z3="3.185724">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2451352 0.1605338 0.1305501</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.192722" y3="2.885868" z3="0.845821">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.700783" y3="3.345069" z3="-0.009953">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="0.028997" y3="3.886954" z3="-1.040232">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.36425" y3="3.754069" z3="-0.791129">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.448334" y3="4.340838" z3="-1.893629">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.446219" y3="3.11513" z3="0.414672">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="2.239973" y3="4.043757" z3="-1.34541">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.005853" y3="2.373725" z3="1.774878">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-2.079107" y3="2.152654" z3="-0.211858">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a10" x3="-2.59726" y3="1.323528" z3="-0.34655">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.525836" y3="0.57018" z3="0.849235">
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</property>
</atom>
<atom elementType="C" id="a12" x3="-2.588809" y3="-0.908328" z3="0.595804">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</atom>
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</atom>
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</property>
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</property>
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</property>
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</property>
</atom>
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</property>
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</property>
</atom>
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</property>
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</atom>
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</atom>
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</atom>
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</property>
</atom>
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</atom>
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</property>
</atom>
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</atom>
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</atom>
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1927,2.8859,.8458;-.7008,3.3451,-.01;.029,3.887,-1.0402;1.3642,3.7541,-.7911;-.4483,4.3408,-1.8936;1.4462,3.1151,.4147;2.24,4.0438,-1.3454;-.0059,2.3737,1.7749;-2.0791,2.1527,-.2119;-2.5973,1.3235,-.3466;-2.5258,.5702,.8492;-2.5888,-.9083,.5958;-1.5692,.7282,1.3608;-3.3066,.8816,1.5515;-3.8833,-1.4455,.0091;-1.8013,-1.2318,-.085;-2.4576,-1.4265,1.5441;-3.8376,-2.9338,.1249;-4.0124,-1.0902,-1.4365;-5.0684,-.9334,.7542;-2.9484,-3.2934,-.3853;-4.7285,-3.3464,-.339;-3.8012,-3.2016,1.1765;-4.9213,-1.548,-1.8169;-3.1473,-1.4797,-1.9653;-4.0615,-.0122,-1.5371;-5.1688,.1334,.5802;-4.934,-1.1363,1.813;-5.95,-1.448,.3836;-1.5042,.6049,-1.6956;-.7961,.2047,-2.2308;.382,.2268,-1.4359;1.1637,-1.0383,-1.7083;.1308,.2825,-.3707;.9764,1.1169,-1.6733;2.4515,-1.0847,-1.016;1.2929,-1.1594,-2.7965;.5704,-1.8909,-1.3693;2.9216,-2.4695,-.9519;3.4311,-.2031,-1.637;4.2079,-2.6644,-.1983;2.1344,-3.0519,-.4672;3.0565,-2.8881,-1.9622;3.7174,-.534,-2.6458;3.0319,.8071,-1.7115;4.3314,-.1467,-1.0261;4.0429,-2.2027,1.1337;4.4489,-3.7336,-.2188;5.0386,-2.1454,-.6897;4.8789,-2.3273,1.5952;2.3158,-.2395,.6373;2.2473,.3875,1.4031;2.277,2.7725,.8708;1.2094,-.0484,2.2032;.6262,-1.1019,1.8588;.9752,.6749,3.193;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2459708 0.1584348 0.1293423</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.231919" y3="2.877969" z3="0.852696">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.673216" y3="3.33491" z3="0.008432">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
<atom elementType="H" id="a5" x3="-0.446863" y3="4.353836" z3="-1.866353">
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</property>
</atom>
<atom elementType="N" id="a6" x3="1.47909" y3="3.127677" z3="0.415395">
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</property>
</atom>
<atom elementType="H" id="a7" x3="2.249223" y3="4.087327" z3="-1.33833">
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</property>
</atom>
<atom elementType="H" id="a8" x3="0.046308" y3="2.350276" z3="1.775919">
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</property>
</atom>
<atom elementType="H" id="a9" x3="-2.053949" y3="2.152662" z3="-0.190485">
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</property>
</atom>
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</atom>
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</atom>
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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<bondArray/>
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</module>
<module cmlx:templateRef="l202.rotconst">
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</module>
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<module cmlx:templateRef="l202.orient">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2435514 0.1580854 0.1290559</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.311885" y3="2.863855" z3="0.866651">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.614925" y3="3.315418" z3="0.043551">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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<bondArray/>
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<property dictRef="cml:molmass">
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</property>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2436490 0.1591433 0.1295584</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</atom>
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</atom>
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</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2594,2.8816,.8715;-.6492,3.3321,.0286;.0576,3.9064,-.999;1.3972,3.7994,-.7626;-.4374,4.3616,-1.8416;1.5042,3.1431,.4327;2.2614,4.1185,-1.3188;.0766,2.3522,1.7944;-2.0392,2.168,-.1732;-2.5886,1.3602,-.3181;-2.5302,.5807,.8617;-2.5786,-.8929,.5772;-1.5833,.7363,1.3917;-3.3237,.8718,1.5585;-3.8674,-1.431,-.0226;-1.7876,-1.1923,-.1107;-2.4412,-1.4322,1.5125;-3.8043,-2.9212,.0605;-3.9996,-1.046,-1.46;-5.0592,-.9501,.7319;-2.911,-3.2595,-.4567;-4.6905,-3.3335,-.4128;-3.7655,-3.2114,1.1061;-4.905,-1.5017,-1.8513;-3.1318,-1.4172,-1.9976;-4.0572,.0337,-1.5374;-5.1735,.1185,.5803;-4.9226,-1.1725,1.7867;-5.9341,-1.4679,.3501;-1.5015,.6609,-1.6917;-.7916,.2685,-2.2307;.3817,.2674,-1.4269;1.1571,-.9963,-1.7237;.1237,.2982,-.3623;.9814,1.1602,-1.6393;2.4376,-1.0732,-1.0219;1.295,-1.0914,-2.8136;.5526,-1.8509,-1.4105;2.8974,-2.4624,-.9989;3.4291,-.1771,-1.6011;4.1745,-2.6913,-.2397;2.1012,-3.0562,-.5434;3.0411,-2.8486,-2.021;3.7141,-.4662,-2.6233;3.0429,.8405,-1.6316;4.3285,-.159,-.9868;4.0033,-2.2622,1.1022;4.4028,-3.7626,-.2861;5.0153,-2.17,-.7107;4.8403,-2.3879,1.5617;2.2803,-.2858,.6629;2.2045,.3211,1.4435;2.3461,2.8348,.8911;1.1596,-.1302,2.2245;.5803,-1.178,1.8576;.9139,.579,3.2223;</scalar>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2440415 0.1595549 0.1298275</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
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<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
<atom elementType="O" id="a56" x3="0.794963" y3="0.37535" z3="3.27683">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.4008,2.8497,.9175;-.5372,3.2911,.1025;.1283,3.9277,-.9157;1.4741,3.869,-.7025;-.3987,4.3893,-1.7352;1.6279,3.1755,.4671;2.3149,4.2463,-1.258;.2497,2.2858,1.8263;-1.95,2.1878,-.1098;-2.5556,1.4235,-.2757;-2.5272,.5964,.8728;-2.5893,-.8665,.5378;-1.5899,.7255,1.4257;-3.3302,.8717,1.5651;-3.8828,-1.3739,-.0814;-1.8021,-1.1501,-.1607;-2.4563,-1.4408,1.4525;-3.8351,-2.8668,-.0375;-4.0026,-.9479,-1.5081;-5.0741,-.9027,.6785;-2.9424,-3.2009,-.5583;-4.7228,-3.2571,-.5263;-3.8054,-3.1845,1.0004;-4.9149,-1.3735,-1.9167;-3.1404,-1.3203,-2.0541;-4.0392,.1347,-1.5557;-5.1793,.1703,.5538;-4.9441,-1.1516,1.7282;-5.9515,-1.4034,.2799;-1.4848,.7496,-1.6779;-.783,.345,-2.2201;.3839,.3103,-1.4078;1.157,-.9432,-1.7479;.1164,.2988,-.3457;.9879,1.2089,-1.5803;2.424,-1.0553,-1.0295;1.3119,-.9913,-2.8388;.5425,-1.8065,-1.4813;2.8916,-2.4407,-1.0781;3.4192,-.1208,-1.5346;4.1607,-2.7046,-.3171;2.0932,-3.0656,-.6706;3.0537,-2.7683,-2.1181;3.7127,-.3352,-2.5727;3.0327,.8966,-1.495;4.3136,-.1471,-.9136;3.9812,-2.3316,1.04;4.386,-3.774,-.4071;5.0067,-2.167,-.7594;4.8222,-2.4519,1.4935;2.2044,-.3844,.7042;2.1103,.185,1.5109;2.4893,2.9268,.9229;1.0589,-.3012,2.2607;.4914,-1.3387,1.851;.795,.3754,3.2768;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2427060 0.1596096 0.1299152</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.36542" y3="2.866348" z3="0.951794">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.559899" y3="3.294649" z3="0.115823">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="0.117838" y3="3.925133" z3="-0.897532">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.460063" y3="3.871921" z3="-0.663502">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.397832" y3="4.373327" z3="-1.731707">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.598312" y3="3.193257" z3="0.51764">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="2.308029" y3="4.245078" z3="-1.210935">
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</property>
</atom>
<atom elementType="H" id="a8" x3="0.199399" y3="2.317518" z3="1.866775">
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</property>
</atom>
<atom elementType="H" id="a9" x3="-1.973747" y3="2.206085" z3="-0.11518">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
<atom elementType="O" id="a56" x3="0.673489" y3="0.313925" z3="3.251395">
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2435579 0.1604534 0.1300947</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.327986" y3="2.868704" z3="0.936007">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.595239" y3="3.295932" z3="0.09691">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="0.087046" y3="3.919474" z3="-0.918233">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.42855" y3="3.864817" z3="-0.681037">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.425665" y3="4.365671" z3="-1.755174">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.561603" y3="3.192172" z3="0.503335">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="2.279026" y3="4.232155" z3="-1.228546">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="0.161784" y3="2.320029" z3="1.850969">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-1.994785" y3="2.185856" z3="-0.130106">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a10" x3="-2.569281" y3="1.39925" z3="-0.304026">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.52315" y3="0.57791" z3="0.848632">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a12" x3="-2.581352" y3="-0.887616" z3="0.524169">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a13" x3="-1.579485" y3="0.715083" z3="1.388791">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a17" x3="-2.445999" y3="-1.449581" z3="1.446272">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
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</property>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</atom>
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</atom>
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<property dictRef="g:atomicType">
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.328,2.8687,.936;-.5952,3.2959,.0969;.087,3.9195,-.9182;1.4285,3.8648,-.681;-.4257,4.3657,-1.7552;1.5616,3.1922,.5033;2.279,4.2322,-1.2285;.1618,2.32,1.851;-1.9948,2.1859,-.1301;-2.5693,1.3993,-.304;-2.5231,.5779,.8486;-2.5814,-.8876,.5242;-1.5795,.7151,1.3888;-3.3197,.8523,1.5487;-3.8761,-1.4027,-.0866;-1.7946,-1.1782,-.1722;-2.446,-1.4496,1.4463;-3.8274,-2.8942,-.0351;-4.0008,-.982,-1.5144;-5.0677,-.933,.6743;-2.9311,-3.2311,-.5479;-4.7114,-3.288,-.5283;-3.8051,-3.2086,1.0039;-4.9119,-1.4138,-1.9192;-3.1384,-1.3528,-2.0605;-4.0417,.1002,-1.5635;-5.1822,.1379,.5402;-4.9322,-1.172,1.7256;-5.9418,-1.4457,.2833;-1.4729,.7344,-1.678;-.7662,.3154,-2.2049;.3996,.309,-1.3905;1.2,-.9254,-1.7366;.1315,.2835,-.3287;.9829,1.2232,-1.5549;2.4687,-1.023,-1.016;1.3586,-.9641,-2.8271;.6013,-1.8012,-1.4751;2.9531,-2.4038,-1.0697;3.4528,-.0763,-1.5207;4.2192,-2.6563,-.2989;2.1605,-3.0396,-.6684;3.1239,-2.7225,-2.1108;3.7632,-.2986,-2.552;3.0454,.9334,-1.4994;4.3388,-.0784,-.8873;4.0151,-2.3129,1.0632;4.4676,-3.7189,-.4044;5.0595,-2.0936,-.7207;4.8467,-2.4458,1.5304;2.2283,-.3573,.71;2.105,.2065,1.5194;2.4189,2.9371,.9652;1.0379,-.3035,2.229;.5118,-1.3543,1.7963;.7177,.363,3.2366;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2443103 0.1594263 0.1295073</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.240707" y3="2.875277" z3="0.927413">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.671254" y3="3.299041" z3="0.073485">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="0.027189" y3="3.905956" z3="-0.941813">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.365697" y3="3.845596" z3="-0.689582">
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</property>
</atom>
<atom elementType="H" id="a5" x3="-0.473381" y3="4.346081" z3="-1.789128">
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</property>
</atom>
<atom elementType="N" id="a6" x3="1.479253" y3="3.188736" z3="0.5048">
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</property>
</atom>
<atom elementType="H" id="a7" x3="2.225157" y3="4.198593" z3="-1.232588">
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</property>
</atom>
<atom elementType="H" id="a8" x3="0.064658" y3="2.336314" z3="1.845877">
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</property>
</atom>
<atom elementType="H" id="a9" x3="-2.046285" y3="2.158662" z3="-0.163823">
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</atom>
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</atom>
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</property>
</atom>
<atom elementType="C" id="a12" x3="-2.60416" y3="-0.922856" z3="0.536506">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</atom>
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</atom>
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<bondArray/>
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<property dictRef="cml:molmass">
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</property>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2466633 0.1573139 0.1283062</array>
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</module>
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<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2487093 0.1586695 0.1284913</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.299234" y3="2.851808" z3="0.975653">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.62549" y3="3.261305" z3="0.128513">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</property>
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</property>
</atom>
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</property>
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<bondArray/>
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<property dictRef="cml:molmass">
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2480260 0.1566301 0.1278216</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3407,2.8372,.9392;-.5985,3.2531,.1114;.0615,3.9132,-.8952;1.4049,3.896,-.6615;-.4679,4.361,-1.7206;1.5621,3.207,.5107;2.2422,4.3019,-1.2017;.1932,2.2621,1.8411;-1.9883,2.1556,-.1325;-2.5666,1.37,-.3045;-2.5336,.56,.8552;-2.6373,-.9054,.5409;-1.5822,.6734,1.3881;-3.3169,.862,1.559;-3.9401,-1.376,-.0872;-1.8503,-1.2264,-.1417;-2.538,-1.466,1.4688;-3.9561,-2.8684,-.0187;-4.0267,-.9692,-1.5227;-5.1214,-.8454,.6501;-3.0717,-3.2485,-.5223;-4.8534,-3.228,-.5139;-3.9539,-3.172,1.024;-4.9462,-1.375,-1.935;-3.1695,-1.3783,-2.0499;-4.029,.1125,-1.5889;-5.1835,.2287,.5063;-5.0147,-1.083,1.7049;-6.0122,-1.3193,.2486;-1.4777,.6845,-1.6713;-.7725,.2646,-2.1982;.396,.2728,-1.3895;1.2238,-.9407,-1.7447;.1319,.2371,-.3271;.9607,1.1995,-1.5498;2.4958,-1.0073,-1.0266;1.3816,-.9699,-2.8355;.6477,-1.8332,-1.4891;3.0155,-2.3747,-1.0801;3.4563,-.0378,-1.5342;4.295,-2.5916,-.3201;2.2427,-3.0297,-.6708;3.1863,-2.6912,-2.1218;3.7791,-.2609,-2.5616;3.0217,.9605,-1.5248;4.3388,-.0089,-.8962;4.0965,-2.2451,1.042;4.5689,-3.6482,-.4216;5.1167,-2.0105,-.7537;4.9324,-2.3704,1.5034;2.2505,-.3579,.7091;2.1184,.1906,1.5253;2.4308,2.9712,.9615;1.0685,-.3574,2.2339;.5717,-1.417,1.7893;.7364,.2866,3.2511;</scalar>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2464716 0.1559209 0.1278778</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
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<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
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</property>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
<atom elementType="C" id="a54" x3="0.928033" y3="-0.517278" z3="2.174923">
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</property>
</atom>
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</property>
</atom>
<atom elementType="O" id="a56" x3="0.511292" y3="0.068837" z3="3.195819">
<property dictRef="g:atomicType">
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.4394,2.8057,.9979;-.5113,3.2017,.1724;.1303,3.9194,-.8079;1.4709,3.9604,-.558;-.4104,4.364,-1.6275;1.6458,3.2461,.5954;2.2944,4.4219,-1.074;.3108,2.1894,1.8756;-1.9055,2.1583,-.1083;-2.5136,1.3933,-.2953;-2.4921,.5603,.8473;-2.6391,-.8944,.5034;-1.5315,.6333,1.3711;-3.2574,.8697,1.5681;-3.957,-1.3085,-.1293;-1.8654,-1.2237,-.1903;-2.5558,-1.4784,1.4187;-4.0233,-2.8009,-.0926;-4.0346,-.8712,-1.5563;-5.1148,-.7508,.6257;-3.1548,-3.1998,-.609;-4.9351,-3.1181,-.5911;-4.0264,-3.1269,.9432;-4.9662,-1.2439,-1.9728;-3.19,-1.2942,-2.0929;-4.0071,.2109,-1.6024;-5.1394,.3274,.5027;-5.0105,-1.0129,1.6749;-6.0243,-1.1848,.2216;-1.4439,.7141,-1.6849;-.7401,.297,-2.2141;.4158,.2816,-1.3902;1.2585,-.9149,-1.7691;.1319,.212,-.3347;.9783,1.2164,-1.5097;2.5114,-.9913,-1.0191;1.4433,-.9074,-2.856;.6846,-1.8205,-1.5586;3.0466,-2.3516,-1.0903;3.4779,-.0017,-1.4752;4.3101,-2.5679,-.3034;2.2713,-3.0217,-.7113;3.2451,-2.6451,-2.1335;3.8426,-.2055,-2.4925;3.0312,.9907,-1.4684;4.3352,.0293,-.8035;4.0742,-2.2429,1.0583;4.5985,-3.6196,-.4142;5.1355,-1.971,-.7076;4.8967,-2.3786,1.5404;2.1971,-.412,.7284;2.0039,.0912,1.5601;2.525,3.0546,1.0489;.928,-.5173,2.1749;.4939,-1.5704,1.6548;.5113,.0688,3.1958;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2487906 0.1567356 0.1281113</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.415127" y3="2.818986" z3="0.986191">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.532646" y3="3.217696" z3="0.159665">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="0.109816" y3="3.92563" z3="-0.826713">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.451218" y3="3.954875" z3="-0.582267">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.42983" y3="4.369612" z3="-1.647562">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.62385" y3="3.245437" z3="0.5750">
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</property>
</atom>
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</property>
</atom>
<atom elementType="H" id="a8" x3="0.283797" y3="2.210931" z3="1.869355">
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</property>
</atom>
<atom elementType="H" id="a9" x3="-1.92729" y3="2.161179" z3="-0.107811">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
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</property>
</atom>
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</atom>
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</atom>
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
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</property>
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2474364 0.1571072 0.1281078</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.410688" y3="2.813528" z3="0.991484">
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</property>
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</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.4107,2.8135,.9915;-.5404,3.2034,.1648;.0955,3.9203,-.8193;1.4361,3.9646,-.573;-.448,4.3593,-1.6402;1.6151,3.2543,.5825;2.2575,4.4253,-1.0933;.2843,2.2016,1.8726;-1.9305,2.1507,-.1119;-2.5252,1.3772,-.3009;-2.4963,.5446,.8418;-2.6462,-.91,.4988;-1.5323,.6192,1.3596;-3.2576,.8533,1.5669;-3.9694,-1.3238,-.1256;-1.8761,-1.2407,-.1985;-2.5566,-1.4919,1.4146;-4.0412,-2.8151,-.0807;-4.0506,-.8919,-1.5541;-5.1248,-.7616,.6296;-3.1732,-3.2204,-.5929;-4.9533,-3.1319,-.579;-4.0476,-3.1352,.9569;-4.9854,-1.2613,-1.9662;-3.2104,-1.3211,-2.0923;-4.0171,.19,-1.6029;-5.149,.3158,.5015;-5.0183,-1.0186,1.6799;-6.0355,-1.1976,.2295;-1.4492,.6943,-1.6794;-.7396,.2726,-2.1986;.4139,.2691,-1.3699;1.2714,-.9125,-1.7605;.1305,.1833,-.3152;.9643,1.2125,-1.479;2.5297,-.9807,-1.0185;1.4504,-.894,-2.8481;.7095,-1.8263,-1.553;3.0746,-2.3372,-1.0989;3.4839,.0191,-1.4766;4.3396,-2.5515,-.3142;2.3049,-3.0161,-.7245;3.2742,-2.6213,-2.1446;3.8478,-.1798,-2.4952;3.0249,1.0062,-1.4679;4.3425,.059,-.8071;4.0991,-2.2472,1.0514;4.6375,-3.599,-.4381;5.1598,-1.9419,-.71;4.9193,-2.3921,1.5346;2.2221,-.4084,.7308;2.0329,.1013,1.561;2.4947,3.0682,1.0373;.9569,-.4987,2.1814;.5209,-1.5566,1.6724;.5407,.0989,3.1968;</scalar>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2488133 0.1557438 0.1273994</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.412093" y3="2.829427" z3="0.97282">
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<bondArray/>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2467304 0.1571022 0.1278826</array>
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</module>
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<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2470693 0.1564987 0.1276483</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.432093" y3="2.839155" z3="0.968247">
<property dictRef="g:atomicType">
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</property>
</atom>
<atom elementType="N" id="a2" x3="-0.530722" y3="3.209193" z3="0.146229">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
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</property>
</atom>
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</property>
</atom>
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</atom>
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<property dictRef="cml:molmass">
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</property>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2462961 0.1573484 0.1279810</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.4444,2.8447,.9631;-.5241,3.2054,.1434;.0866,3.9148,-.8618;1.4298,3.9831,-.6361;-.4751,4.3306,-1.6827;1.6365,3.2959,.5285;2.2363,4.447,-1.1766;.3395,2.2465,1.8567;-1.9227,2.1524,-.092;-2.5212,1.3811,-.2766;-2.4856,.5452,.8638;-2.6221,-.9104,.5181;-1.5232,.6287,1.3835;-3.2513,.845,1.5881;-3.9404,-1.3367,-.1093;-1.8485,-1.2337,-.1786;-2.528,-1.4931,1.4327;-3.9964,-2.8288,-.0644;-4.0224,-.9065,-1.5382;-5.1034,-.786,.6424;-3.1219,-3.2246,-.573;-4.9028,-3.1558,-.5663;-4.0032,-3.1489,.9731;-4.9528,-1.2845,-1.9525;-3.1766,-1.3271,-2.0745;-3.9993,.1758,-1.587;-5.1384,.2911,.5129;-4.9969,-1.0407,1.6932;-6.0086,-1.2314,.2403;-1.4594,.7036,-1.6712;-.7514,.2923,-2.2003;.4052,.2719,-1.3758;1.2314,-.9356,-1.7542;.1246,.2072,-.3191;.977,1.2005,-1.5;2.4922,-1.0236,-1.0196;1.4037,-.9365,-2.8431;.6489,-1.8325,-1.5303;3.0037,-2.394,-1.0789;3.4673,-.0539,-1.4984;4.2675,-2.6251,-.2973;2.2194,-3.0473,-.6894;3.1913,-2.7009,-2.1205;3.8212,-.2774,-2.5154;3.0313,.9438,-1.5028;4.33,-.0236,-.8337;4.0423,-2.2924,1.064;4.54,-3.6813,-.4052;5.0994,-2.0417,-.7081;4.8589,-2.4566,1.5473;2.2258,-.4106,.7178;2.0671,.1267,1.5374;2.5235,3.1376,.9798;.983,-.4179,2.1924;.5012,-1.4727,1.7203;.6064,.2204,3.1987;</scalar>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2458266 0.1576311 0.1280657</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
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<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</property>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
<atom elementType="H" id="a48" x3="4.531488" y3="-3.688571" z3="-0.401312">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
<atom elementType="H" id="a53" x3="2.524942" y3="3.144785" z3="0.974466">
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</property>
</atom>
<atom elementType="C" id="a54" x3="0.983952" y3="-0.411852" z3="2.19361">
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</property>
</atom>
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</property>
</atom>
<atom elementType="O" id="a56" x3="0.609158" y3="0.228717" z3="3.199085">
<property dictRef="g:atomicType">
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.4461,2.849,.9612;-.5238,3.2068,.1419;.085,3.9149,-.8655;1.4283,3.9854,-.6415;-.4782,4.3281,-1.6867;1.6369,3.3013,.5245;2.2336,4.449,-1.184;.3432,2.2527,1.8564;-1.922,2.153,-.0917;-2.5213,1.3821,-.276;-2.4854,.5461,.8646;-2.6193,-.9099,.5195;-1.5235,.6313,1.3847;-3.252,.8451,1.5883;-3.9364,-1.339,-.1082;-1.8447,-1.2324,-.1764;-2.5249,-1.4917,1.4347;-3.9885,-2.8313,-.064;-4.0195,-.9083,-1.5368;-5.1008,-.7918,.6438;-3.1128,-3.2244,-.5726;-4.8938,-3.1605,-.5663;-3.9948,-3.1519,.9734;-4.9493,-1.2879,-1.951;-3.1731,-1.3271,-2.0734;-3.9986,.174,-1.585;-5.1391,.2852,.5143;-4.9932,-1.046,1.6947;-6.0047,-1.24,.2421;-1.4593,.7061,-1.6694;-.7526,.2939,-2.1996;.4056,.2734,-1.3774;1.2276,-.938,-1.7525;.1267,.2139,-.32;.9796,1.1999,-1.5063;2.4889,-1.0277,-1.0188;1.3988,-.9433,-2.8416;.6424,-1.8321,-1.5247;2.9975,-2.3992,-1.0767;3.4654,-.0605,-1.5002;4.2619,-2.6314,-.2962;2.2124,-3.0501,-.6849;3.1831,-2.7083,-2.118;3.8169,-.2855,-2.5176;3.0318,.9382,-1.5043;4.3295,-.0318,-.8371;4.0396,-2.2939,1.0645;4.5315,-3.6886,-.4013;5.0948,-2.0515,-.7099;4.8567,-2.4577,1.5469;2.2251,-.4101,.718;2.0684,.1297,1.5365;2.5249,3.1448,.9745;.984,-.4119,2.1936;.4999,-1.4668,1.7239;.6092,.2287,3.1991;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2454844 0.1578339 0.1281212</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.448486" y3="2.855783" z3="0.957608">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.52366" y3="3.205774" z3="0.137413">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="0.080876" y3="3.912369" z3="-0.873532">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.423981" y3="3.990055" z3="-0.650882">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.4849" y3="4.319218" z3="-1.696084">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.636567" y3="3.312286" z3="0.518299">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
<atom elementType="H" id="a8" x3="0.349079" y3="2.26269" z3="1.855294">
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</property>
</atom>
<atom elementType="H" id="a9" x3="-1.920471" y3="2.152016" z3="-0.093028">
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</atom>
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</property>
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</property>
</atom>
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</atom>
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</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
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</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
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</property>
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2449501 0.1580330 0.1281422</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</property>
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</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.4482,2.8599,.9566;-.5252,3.2034,.1353;.076,3.9114,-.8766;1.4186,3.9966,-.6534;-.4916,4.3138,-1.7;1.6341,3.3219,.5171;2.2193,4.4646,-1.1989;.3515,2.2673,1.8549;-1.92,2.1501,-.096;-2.523,1.3809,-.2778;-2.4881,.5474,.8645;-2.6164,-.91,.5229;-1.5277,.6365,1.3867;-3.2573,.8459,1.5854;-3.931,-1.3456,-.1053;-1.8395,-1.2317,-.1709;-2.5217,-1.4892,1.4398;-3.9752,-2.838,-.0619;-4.0165,-.9143,-1.5334;-5.098,-.8049,.6473;-3.0976,-3.2264,-.5709;-4.8789,-3.1718,-.5642;-3.9798,-3.1593,.9753;-4.945,-1.2974,-1.9474;-3.1689,-1.33,-2.0706;-3.9997,.1681,-1.5812;-5.1427,.2718,.5174;-4.9883,-1.058,1.6982;-5.9995,-1.2588,.2464;-1.458,.707,-1.6662;-.752,.2952,-2.198;.4079,.2738,-1.3783;1.2243,-.943,-1.7485;.1311,.2208,-.3199;.985,1.1975,-1.5127;2.4863,-1.0354,-1.0164;1.3935,-.9548,-2.8379;.635,-1.8332,-1.5152;2.9906,-2.4084,-1.0743;3.465,-.072,-1.5009;4.2555,-2.6436,-.2952;2.2043,-3.0566,-.6803;3.1735,-2.7191,-2.1155;3.8109,-.2974,-2.5202;3.036,.9287,-1.5018;4.332,-.048,-.8416;4.0366,-2.3002,1.0647;4.5203,-3.7023,-.3969;5.0903,-2.0688,-.7121;4.8546,-2.4631,1.546;2.227,-.4098,.7217;2.0745,.1354,1.5371;2.5247,3.1759,.9653;.9876,-.3973,2.1975;.4966,-1.4512,1.732;.6174,.2488,3.2009;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2446456 0.1580424 0.1280718</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</module>
<module cmlx:templateRef="l202.rotconst">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2440456 0.1580106 0.1278894</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.441134" y3="2.871662" z3="0.958676">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.534993" y3="3.201227" z3="0.135416">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="0.058497" y3="3.911947" z3="-0.878927">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.399937" y3="4.012461" z3="-0.655452">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.513372" y3="4.305277" z3="-1.703833">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.622283" y3="3.344816" z3="0.517884">
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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</property>
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</property>
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</property>
</atom>
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</atom>
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</atom>
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</atom>
</atomArray>
<bondArray/>
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<property dictRef="cml:molmass">
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</property>
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2439371 0.1580318 0.1278658</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
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</atom>
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</atom>
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</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
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</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
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</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2438555 0.1581113 0.1279033</array>
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</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
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<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
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<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
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</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
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</atom>
<atom elementType="H" id="a44" x3="3.809282" y3="-0.287673" z3="-2.521313">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a45" x3="3.041406" y3="0.933668" z3="-1.491778">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a46" x3="4.33798" y3="-0.049972" z3="-0.843457">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a47" x3="4.036783" y3="-2.309288" z3="1.061869">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a48" x3="4.521643" y3="-3.703149" z3="-0.407178">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="5.09244" y3="-2.06806" z3="-0.712297">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="4.855164" y3="-2.472382" z3="1.542417">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="2.232838" y3="-0.411264" z3="0.723836">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a52" x3="2.080818" y3="0.13123" z3="1.540992">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a53" x3="2.513698" y3="3.213047" z3="0.9695">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="0.990671" y3="-0.399673" z3="2.197942">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a55" x3="0.498201" y3="-1.45169" z3="1.73004">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a56" x3="0.62058" y3="0.24593" z3="3.201567">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.4409,2.8741,.9602;-.5352,3.2029,.1365;.0587,3.9124,-.8785;1.4001,4.0132,-.6549;-.5129,4.3048,-1.7041;1.6222,3.3468,.5191;2.196,4.4874,-1.2018;.3489,2.2853,1.8614;-1.9249,2.1459,-.0947;-2.5274,1.3761,-.276;-2.489,.5417,.8655;-2.6121,-.9157,.522;-1.529,.634,1.3878;-3.2593,.8363,1.5869;-3.9254,-1.3551,-.1064;-1.8343,-1.2332,-.1728;-2.5144,-1.4962,1.4378;-3.9648,-2.8478,-.0639;-4.0123,-.9233,-1.5343;-5.0942,-.8184,.6464;-3.0866,-3.233,-.5743;-4.868,-3.1842,-.5652;-3.9669,-3.1695,.9731;-4.9391,-1.3097,-1.949;-3.1628,-1.3352,-2.0715;-3.9996,.1592,-1.5816;-5.1415,.2583,.5182;-4.9844,-1.073,1.6969;-5.9943,-1.2738,.2442;-1.4571,.7065,-1.6617;-.7481,.303,-2.1958;.4108,.2787,-1.3745;1.227,-.9376,-1.7473;.1327,.2232,-.3166;.9886,1.2023,-1.5061;2.4896,-1.0324,-1.0165;1.3956,-.9467,-2.8368;.6376,-1.8282,-1.5161;2.9931,-2.4054,-1.0789;3.4681,-.068,-1.4991;4.257,-2.6449,-.2997;2.2059,-3.0545,-.6883;3.1767,-2.7124,-2.1211;3.8093,-.2877,-2.5213;3.0414,.9337,-1.4918;4.338,-.05,-.8435;4.0368,-2.3093,1.0619;4.5216,-3.7031,-.4072;5.0924,-2.0681,-.7123;4.8552,-2.4724,1.5424;2.2328,-.4113,.7238;2.0808,.1312,1.541;2.5137,3.213,.9695;.9907,-.3997,2.1979;.4982,-1.4517,1.73;.6206,.2459,3.2016;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2437585 0.1581610 0.1279111</array>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.440935" y3="2.874135" z3="0.960152">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.535187" y3="3.202919" z3="0.136468">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="0.058688" y3="3.912401" z3="-0.878534">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.400089" y3="4.013162" z3="-0.654881">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.512902" y3="4.304767" z3="-1.704097">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a6" x3="1.622221" y3="3.3468" z3="0.519136">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a7" x3="2.196022" y3="4.487434" z3="-1.201844">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="0.348901" y3="2.285333" z3="1.861363">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-1.924891" y3="2.14586" z3="-0.094653">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a10" x3="-2.527422" y3="1.376074" z3="-0.275956">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.489005" y3="0.541662" z3="0.865469">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a12" x3="-2.612099" y3="-0.915732" z3="0.522041">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a13" x3="-1.529006" y3="0.634009" z3="1.387844">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a14" x3="-3.259259" y3="0.836319" z3="1.586943">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a15" x3="-3.925379" y3="-1.355111" z3="-0.106404">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a16" x3="-1.834313" y3="-1.233156" z3="-0.172765">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a17" x3="-2.514435" y3="-1.496197" z3="1.437768">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-3.964802" y3="-2.847771" z3="-0.063912">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.01228" y3="-0.923348" z3="-1.534347">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-5.094169" y3="-0.818424" z3="0.646377">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a22" x3="-4.868047" y3="-3.184177" z3="-0.565202">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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</property>
</atom>
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</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a36" x3="2.489573" y3="-1.032388" z3="-1.016487">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a47" x3="4.036783" y3="-2.309288" z3="1.061869">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
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<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="5.09244" y3="-2.06806" z3="-0.712297">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="4.855164" y3="-2.472382" z3="1.542417">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="2.232838" y3="-0.411264" z3="0.723836">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a52" x3="2.080818" y3="0.13123" z3="1.540992">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a53" x3="2.513698" y3="3.213047" z3="0.9695">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="0.990671" y3="-0.399673" z3="2.197942">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a55" x3="0.498201" y3="-1.45169" z3="1.73004">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a56" x3="0.62058" y3="0.24593" z3="3.201567">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C14H32N4O6"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">320.1729999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/14C.4N.6O.32H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.4409,2.8741,.9602;-.5352,3.2029,.1365;.0587,3.9124,-.8785;1.4001,4.0132,-.6549;-.5129,4.3048,-1.7041;1.6222,3.3468,.5191;2.196,4.4874,-1.2018;.3489,2.2853,1.8614;-1.9249,2.1459,-.0947;-2.5274,1.3761,-.276;-2.489,.5417,.8655;-2.6121,-.9157,.522;-1.529,.634,1.3878;-3.2593,.8363,1.5869;-3.9254,-1.3551,-.1064;-1.8343,-1.2332,-.1728;-2.5144,-1.4962,1.4378;-3.9648,-2.8478,-.0639;-4.0123,-.9233,-1.5343;-5.0942,-.8184,.6464;-3.0866,-3.233,-.5743;-4.868,-3.1842,-.5652;-3.9669,-3.1695,.9731;-4.9391,-1.3097,-1.949;-3.1628,-1.3352,-2.0715;-3.9996,.1592,-1.5816;-5.1415,.2583,.5182;-4.9844,-1.073,1.6969;-5.9943,-1.2738,.2442;-1.4571,.7065,-1.6617;-.7481,.303,-2.1958;.4108,.2787,-1.3745;1.227,-.9376,-1.7473;.1327,.2232,-.3166;.9886,1.2023,-1.5061;2.4896,-1.0324,-1.0165;1.3956,-.9467,-2.8368;.6376,-1.8282,-1.5161;2.9931,-2.4054,-1.0789;3.4681,-.068,-1.4991;4.257,-2.6449,-.2997;2.2059,-3.0545,-.6883;3.1767,-2.7124,-2.1211;3.8093,-.2877,-2.5213;3.0414,.9337,-1.4918;4.338,-.05,-.8435;4.0368,-2.3093,1.0619;4.5216,-3.7031,-.4072;5.0924,-2.0681,-.7123;4.8552,-2.4724,1.5424;2.2328,-.4113,.7238;2.0808,.1312,1.541;2.5137,3.213,.9695;.9907,-.3997,2.1979;.4982,-1.4517,1.73;.6206,.2459,3.2016;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2437585 0.1581610 0.1279111</array>
</module>
</module>
<module cmlx:templateRef="l302">
<module cmlx:templateRef="l302.basis2">
<list cmlx:templateRef="basis">
<scalar dataType="xsd:string" dictRef="g:basis">Precomputing XC quadrature grid using</scalar>
<scalar dataType="xsd:string" dictRef="g:basis">IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.</scalar>
<scalar dataType="xsd:string" dictRef="g:basis">Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32</scalar>
<scalar dataType="xsd:string" dictRef="g:basis">NSgBfM=  1029  1029  1029  1029  1029 MxSgAt=    56 MxSgA2=    56.</scalar>
</list>
</module>
</module>
<module cmlx:templateRef="l302">
<module cmlx:templateRef="l302.basis">
<list cmlx:templateRef="basis">
<scalar dataType="xsd:string" dictRef="g:basis">NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1</scalar>
<scalar dataType="xsd:string" dictRef="g:basis">NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.</scalar>
<scalar dataType="xsd:string" dictRef="g:basis">One-electron integrals computed using PRISM.</scalar>
<scalar dataType="xsd:string" dictRef="g:basis">One-electron integral symmetry used in STVInt</scalar>
</list>
</module>
<module cmlx:templateRef="l302.basis2">
<list cmlx:templateRef="basis">
<scalar dataType="xsd:string" dictRef="g:basis">Precomputing XC quadrature grid using</scalar>
<scalar dataType="xsd:string" dictRef="g:basis">IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.</scalar>
<scalar dataType="xsd:string" dictRef="g:basis">Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32</scalar>
<scalar dataType="xsd:string" dictRef="g:basis">NSgBfM=  1042  1041  1042  1042  1042 MxSgAt=    56 MxSgA2=    56.</scalar>
</list>
</module>
</module>
<module cmlx:templateRef="l303.basis">
<list cmlx:templateRef="l303">
<scalar dataType="xsd:integer" dictRef="g:dipdrv">1</scalar>
</list>
</module>
<module cmlx:templateRef="l401"/>
<module cmlx:templateRef="l716.dipole">
<array cmlx:templateRef="dipole" dataType="xsd:double" dictRef="x:d" size="3">-9.95338876e+00 -5.42705752e+00 -2.69855397e+00</array>
</module>
<module cmlx:templateRef="l716.forces">
<list cmlx:templateRef="force">
<array dataType="xsd:integer" dictRef="x:serial" size="56">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56</array>
<array dataType="xsd:integer" dictRef="x:elementType" size="56">6 7 6 6 1 7 1 1 1 8 6 6 1 1 7 1 1 6 6 6 1 1 1 1 1 1 1 1 1 1 8 6 6 1 1 7 1 1 6 6 6 1 1 1 1 1 8 1 1 1 1 8 1 6 8 8</array>
<list>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.004407517 -0.001490367 0.000021567</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.002290680 -0.000040447 0.002422153</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.001677914 0.000207422 0.001146228</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.001133041 0.000789510 -0.003054765</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000281144 0.000207344 0.000345119</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.005709758 -0.010004862 0.001320635</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000213830 -0.000207243 0.000108629</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000206997 -0.000032466 -0.000149179</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000917849 -0.000730760 -0.000173789</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000676122 0.000585749 -0.000025509</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000274683 0.000039006 0.000156337</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000262937 0.000201711 -0.000127424</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000104466 -0.000196140 -0.000037387</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000108632 0.000014970 -0.000010397</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000039826 0.000078936 0.000155912</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000086977 -0.000202697 0.000011791</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000003319 0.000082171 0.000030196</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000097836 -0.000338281 -0.000227534</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000154014 -0.000101790 0.000147128</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000071839 0.000103943 0.000207566</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000008246 -0.000061002 -0.000012917</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000022894 -0.000051892 -0.000036502</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000016899 0.000015861 -0.000070005</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000131629 -0.000003661 -0.000029089</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000012407 0.000151618 -0.000030476</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000051833 0.000121326 -0.000067519</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000105414 0.000014906 0.000050600</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000014109 0.000054989 0.000043407</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000006055 0.000039224 -0.000046369</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000277744 0.000057352 -0.000289127</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000874035 0.000332541 0.000185791</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000520422 -0.000589785 -0.000344768</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.003019161 -0.001276453 -0.000178619</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000495706 -0.000343601 0.000414174</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000152809 0.000020752 0.000151982</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000637814 0.004824748 0.008902866</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000775736 0.000517106 0.000967990</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000301659 0.000779593 0.000126787</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.002067772 -0.002290476 0.000408020</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.001107309 0.002363908 -0.002226813</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000398913 0.000035757 -0.000543087</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000004916 0.000339251 -0.000056172</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000726593 0.000835992 0.000824349</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000205684 -0.000256863 0.000854674</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000078055 -0.000194430 -0.000254063</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000042760 -0.000130695 -0.000154646</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.001617211 0.001026766 0.000764859</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000210212 0.000139737 0.000098342</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000057098 -0.000090179 0.000090515</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000202711 0.000275959 0.000448822</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.007846881 -0.031691493 -0.016203183</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.003389020 0.004484224 -0.014872535</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.011980617 0.035479777 0.010636512</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.035314319 -0.039059935 0.112157506</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.009165734 0.021775023 -0.052630299</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.022362819 0.013388346 -0.051348284</array>
</list>
</list>
<list cmlx:templateRef="cartesianforce">
<scalar dataType="xsd:double" dictRef="cc:maxforce">0.112157506</scalar>
<scalar dataType="xsd:double" dictRef="cc:rmsforce">0.012302526</scalar>
</list>
</module>
<module cmlx:templateRef="l716">
<list cmlx:templateRef="l716">
<scalar dataType="xsd:string" dictRef="g:l716">(Enter /usr/local/gaussian/g16a03/g16/l716.exe)</scalar>
</list>
</module>
<module cmlx:templateRef="l502">
<scalar dataType="xsd:string" dictRef="g:l502.type">Closed</scalar>
<module cmlx:templateRef="l502.cycle">
<list cmlx:templateRef="cycle">
<list>
<scalar dataType="xsd:integer" dictRef="cc:cycle">1</scalar>
<scalar dataType="xsd:integer" dictRef="g:pass">1</scalar>
<scalar dataType="xsd:integer" dictRef="g:idiag">1</scalar>
</list>
</list>
<module cmlx:templateRef="l502.e">
<list cmlx:templateRef="l502.e">
<scalar dataType="xsd:double" dictRef="g:l502.e">-1223.44309369186</scalar>
</list>
</module>
<module cmlx:templateRef="l502.ediff">
<list cmlx:templateRef="l502.ediff">
<list>
<scalar dataType="xsd:double" dictRef="g:l502.e">-1223.44309669468</scalar>
<scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000003002822</scalar>
</list>
</list>
</module>
<module cmlx:templateRef="l502.ediff">
<list cmlx:templateRef="l502.ediff">
<list>
<scalar dataType="xsd:double" dictRef="g:l502.e">-1223.44309666558</scalar>
<scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000029100</scalar>
</list>
</list>
</module>
<module cmlx:templateRef="l502.ediff">
<list cmlx:templateRef="l502.ediff">
<list>
<scalar dataType="xsd:double" dictRef="g:l502.e">-1223.44309669305</scalar>
<scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000027473</scalar>
</list>
</list>
</module>
<module cmlx:templateRef="l502.ediff">
<list cmlx:templateRef="l502.ediff">
<list>
<scalar dataType="xsd:double" dictRef="g:l502.e">-1223.44309671216</scalar>
<scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000019108</scalar>
</list>
</list>
</module>
<module cmlx:templateRef="l502.ediff">
<list cmlx:templateRef="l502.ediff">
<list>
<scalar dataType="xsd:double" dictRef="g:l502.e">-1223.44309666054</scalar>
<scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000051621</scalar>
</list>
</list>
</module>
<module cmlx:templateRef="l502.ediff">
<list cmlx:templateRef="l502.ediff">
<list>
<scalar dataType="xsd:double" dictRef="g:l502.e">-1223.44309667524</scalar>
<scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000014700</scalar>
</list>
</list>
</module>
</module>
<module cmlx:templateRef="l502.footer">
<list cmlx:templateRef="scfdone">
<list>
<scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-1223.44309668</scalar>
<scalar dataType="xsd:integer" dictRef="cc:ncycle">7</scalar>
</list>
</list>
<module cmlx:templateRef="scfdone">
<list cmlx:templateRef="scfdone">
<list>
<scalar dataType="xsd:double" dictRef="cc:kinener">1.218409071583e+03</scalar>
<scalar dataType="xsd:double" dictRef="cc:potener">-7.730527903702e+03</scalar>
<scalar dataType="xsd:double" dictRef="cc:eener">2.855663059744e+03</scalar>
</list>
</list>
</module>
</module>
<list cmlx:templateRef="l502">
<scalar dataType="xsd:string" dictRef="g:l502">Using DIIS extrapolation, IDIIS=  1040.</scalar>
<scalar dataType="xsd:string" dictRef="g:l502">NGot= 14763950080 LenX= 14761680668 LenY= 14760564476</scalar>
<scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.</scalar>
<scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on MAX density matrix=1.00D-06.</scalar>
<scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on             energy=1.00D-06.</scalar>
<scalar dataType="xsd:string" dictRef="g:l502">No special actions if energy rises.</scalar>
<scalar dataType="xsd:string" dictRef="g:l502">Fock matrices will be formed incrementally for  20 cycles.</scalar>
<scalar dataType="xsd:string" dictRef="g:l502"/>
</list>
</module>
<module cmlx:templateRef="l716">
<list cmlx:templateRef="l716">
<scalar dataType="xsd:string" dictRef="g:l716">(Enter /usr/local/gaussian/g16a03/g16/l716.exe)</scalar>
</list>
</module>
</module>
</module>
<module dictRef="cc:finalization" id="finalization">
<propertyList>
<property dictRef="cc:jobtime">
<scalar dataType="xsd:string">PT1283862.700S</scalar>
</property>
<property dictRef="cc:jobdatetime.end">
<scalar dataType="xsd:date">2024-12-11T21:35:43.000</scalar>
</property>
<property>
<module cmlx:templateRef="l601.mullik">
<scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
<scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
<list cmlx:templateRef="row">
<array dataType="xsd:integer" dictRef="cc:serial" size="56">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="56">C N C C H N H H H O C C H H N H H C C C H H H H H H H H H H O C C H H N H H C C C H H H H H O H H H H O H C O O</array>
<array dataType="xsd:double" dictRef="x:charge" size="56">0.341910 -0.711717 0.003389 -0.010348 0.090988 -0.729454 0.095047 0.115960 0.392915 -0.663757 0.091617 -0.077961 0.091442 0.078113 0.137975 0.125432 0.116369 -0.137611 -0.186558 -0.188129 0.127120 0.121721 0.124902 0.125335 0.127405 0.140774 0.133217 0.135916 0.127261 0.352720 -0.640937 0.122956 0.114698 0.006145 0.067348 -0.346266 0.052289 0.060611 0.063713 -0.174981 0.119501 0.065218 0.058727 0.085845 0.095368 0.105712 -0.627282 0.043767 0.060048 0.372811 0.345604 -0.338644 0.392230 0.854864 -0.725678 -0.725659</array>
</list>
<scalar dataType="xsd:double" dictRef="x:chargesum">-0.00000</scalar>
</module>
</property>
<property dictRef="cc:popanal">
<module cmlx:templateRef="l601.popanal">
<array dataType="xsd:double" dictRef="g:alphaocc" size="96">-18.96184 -18.96087 -18.95342 -18.95145 -18.89906 -18.89826 -14.30427 -14.22466 -14.17679 -14.16496 -10.15464 -10.10036 -10.09883 -10.09655 -10.09172 -10.09147 -10.08808 -10.08644 -10.08102 -10.07163 -10.06569 -10.06362 -10.05992 -10.05817 -1.03376 -0.99857 -0.99120 -0.98268 -0.98199 -0.97757 -0.93607 -0.91260 -0.89103 -0.84103 -0.73941 -0.71841 -0.70725 -0.70682 -0.70407 -0.68764 -0.63484 -0.63012 -0.57611 -0.56793 -0.56170 -0.55466 -0.53833 -0.52185 -0.51760 -0.50017 -0.48805 -0.48108 -0.47850 -0.47196 -0.46693 -0.44962 -0.42914 -0.42103 -0.41993 -0.41348 -0.40548 -0.40433 -0.40130 -0.39681 -0.39515 -0.38894 -0.38826 -0.38602 -0.38095 -0.37402 -0.36934 -0.36379 -0.36329 -0.36217 -0.36089 -0.35891 -0.35316 -0.34917 -0.34170 -0.32981 -0.32673 -0.31490 -0.31192 -0.30091 -0.29157 -0.26872 -0.25732 -0.25383 -0.24375 -0.23788 -0.23474 -0.23186 -0.22318 -0.21289 -0.19905 -0.19221</array>
<array dataType="xsd:double" dictRef="g:alphavirt" size="840">-0.00435 0.02275 0.02580 0.04335 0.05277 0.05581 0.06042 0.06271 0.06862 0.07032 0.07349 0.07780 0.07798 0.08198 0.08830 0.09238 0.09867 0.10026 0.10434 0.10904 0.11062 0.11075 0.11714 0.11768 0.12447 0.12869 0.12979 0.13548 0.13609 0.14072 0.14162 0.14776 0.14926 0.15100 0.15378 0.16053 0.16224 0.16472 0.17034 0.17452 0.17804 0.17991 0.18471 0.19279 0.19685 0.20192 0.20881 0.21146 0.21241 0.21761 0.22537 0.22890 0.23539 0.24116 0.24554 0.24998 0.25322 0.26045 0.26247 0.26725 0.26777 0.27078 0.27539 0.27734 0.28603 0.28802 0.29210 0.29724 0.30159 0.30451 0.31139 0.31290 0.32088 0.32704 0.33095 0.33457 0.33887 0.34011 0.34280 0.35068 0.35211 0.35391 0.35660 0.36234 0.36654 0.36839 0.37054 0.37465 0.37765 0.38359 0.38544 0.38979 0.39311 0.39712 0.40157 0.40469 0.40771 0.40932 0.41101 0.41232 0.42185 0.42297 0.42655 0.43067 0.43171 0.43345 0.43503 0.43607 0.43953 0.44124 0.44453 0.44878 0.45283 0.45526 0.45783 0.46301 0.46603 0.46861 0.47225 0.47665 0.48013 0.48355 0.48708 0.48939 0.49409 0.49512 0.50492 0.50697 0.51509 0.51953 0.52332 0.53066 0.53454 0.53671 0.54009 0.54270 0.54846 0.55872 0.56174 0.56816 0.57418 0.58132 0.58661 0.58907 0.59246 0.59352 0.59941 0.61242 0.61350 0.62541 0.62997 0.63040 0.63836 0.64758 0.65641 0.65871 0.66174 0.67257 0.68085 0.68735 0.69159 0.69983 0.70388 0.70815 0.71107 0.72361 0.72860 0.73258 0.73993 0.74330 0.74415 0.75601 0.76434 0.77001 0.77543 0.78834 0.79028 0.79443 0.80009 0.80613 0.80712 0.81988 0.83099 0.83794 0.84305 0.84525 0.84905 0.85474 0.86135 0.86571 0.86984 0.87266 0.87910 0.88495 0.89231 0.90015 0.90873 0.91446 0.91551 0.92423 0.92824 0.93075 0.94043 0.95049 0.95111 0.95588 0.96684 0.97015 0.98101 0.99150 0.99439 1.00773 1.01787 1.02720 1.02957 1.03294 1.04314 1.04715 1.05389 1.06364 1.06814 1.07676 1.08287 1.09318 1.09907 1.10764 1.12017 1.12588 1.13031 1.14225 1.14485 1.15294 1.16094 1.16789 1.17933 1.18119 1.18998 1.19560 1.20632 1.21145 1.22174 1.22251 1.23132 1.23852 1.24368 1.25279 1.26632 1.27301 1.27768 1.28826 1.30414 1.32108 1.32676 1.32843 1.36401 1.36912 1.37574 1.38743 1.39554 1.40686 1.41195 1.41634 1.42577 1.43195 1.44749 1.45537 1.46341 1.46721 1.47311 1.47826 1.48595 1.49142 1.49243 1.49665 1.49890 1.50554 1.50936 1.51266 1.52161 1.52825 1.53156 1.53569 1.53821 1.54873 1.55236 1.55862 1.56112 1.56686 1.56946 1.57169 1.57578 1.58125 1.58717 1.58969 1.59668 1.59752 1.60453 1.61051 1.61259 1.61609 1.62337 1.62944 1.63107 1.64201 1.64456 1.64668 1.65114 1.65318 1.65842 1.66323 1.67082 1.67800 1.68379 1.68946 1.69458 1.70810 1.71109 1.71766 1.72462 1.73728 1.74252 1.75358 1.76275 1.76774 1.77236 1.78384 1.79554 1.80058 1.80416 1.80790 1.82478 1.82840 1.83494 1.84471 1.85143 1.86122 1.86496 1.86834 1.87279 1.88312 1.90124 1.90702 1.91382 1.91561 1.92486 1.94077 1.94470 1.94802 1.95331 1.96367 1.97294 1.98087 1.98986 1.99498 1.99750 2.00733 2.01392 2.03197 2.03549 2.04299 2.04822 2.05471 2.06577 2.08231 2.08801 2.09427 2.09646 2.10198 2.11074 2.11717 2.13040 2.13459 2.13774 2.14248 2.14791 2.15956 2.16547 2.16959 2.17998 2.18296 2.19590 2.20114 2.20771 2.21417 2.22461 2.23868 2.24362 2.24449 2.24956 2.26053 2.26680 2.26994 2.27797 2.28451 2.29033 2.29233 2.29580 2.30919 2.31356 2.31710 2.32599 2.33239 2.34191 2.34914 2.35129 2.36762 2.37116 2.37967 2.38824 2.39112 2.39554 2.40126 2.41392 2.41656 2.42089 2.42394 2.43029 2.43927 2.44446 2.44938 2.45282 2.45967 2.46849 2.47374 2.48112 2.48690 2.48890 2.49524 2.50414 2.50979 2.51472 2.52774 2.53412 2.53638 2.54915 2.55402 2.55742 2.56192 2.57589 2.58401 2.58750 2.59182 2.59911 2.60993 2.61588 2.62071 2.62761 2.63653 2.63885 2.64277 2.64716 2.65185 2.65506 2.66612 2.66869 2.67893 2.68213 2.68740 2.69673 2.71022 2.71431 2.71567 2.73655 2.73728 2.74079 2.75038 2.75516 2.76081 2.76969 2.77786 2.78675 2.79016 2.80244 2.80746 2.81513 2.82484 2.83053 2.84169 2.84516 2.86069 2.87045 2.87164 2.88708 2.88751 2.89408 2.90282 2.90425 2.90716 2.91374 2.92091 2.92541 2.92868 2.93271 2.94154 2.94524 2.95342 2.96191 2.96429 2.97798 2.98107 2.99049 2.99600 3.00272 3.00709 3.01996 3.02774 3.03445 3.03694 3.04545 3.04931 3.05432 3.06778 3.07389 3.07718 3.08304 3.08914 3.09215 3.10066 3.10161 3.11278 3.13009 3.13542 3.13974 3.14088 3.15103 3.15901 3.16076 3.17222 3.17526 3.17565 3.18806 3.19440 3.19893 3.20264 3.20662 3.21677 3.22930 3.23350 3.23577 3.24189 3.24699 3.26499 3.27363 3.27857 3.29611 3.30486 3.31842 3.32210 3.32499 3.32749 3.33259 3.33984 3.34114 3.35007 3.35409 3.36821 3.37141 3.37766 3.38277 3.38790 3.39067 3.39725 3.40255 3.40802 3.41845 3.42099 3.42380 3.42863 3.44416 3.44930 3.45476 3.45750 3.45990 3.46151 3.47088 3.47485 3.48141 3.48757 3.49015 3.50411 3.50845 3.51421 3.51593 3.52128 3.52422 3.53720 3.54080 3.54516 3.55442 3.56034 3.56951 3.57360 3.58112 3.58500 3.59377 3.59700 3.59916 3.60831 3.61272 3.61762 3.62388 3.63934 3.65699 3.66214 3.66816 3.68135 3.68413 3.68793 3.69449 3.71026 3.71963 3.72275 3.72568 3.72830 3.74991 3.76591 3.77473 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<module cmlx:templateRef="l601.state">
<scalar dataType="xsd:string" dictRef="g:l601.state">1-A.</scalar>
</module>
</module>
</property>
<property>
<module cmlx:templateRef="l601.mullik">
<scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
<scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
<list cmlx:templateRef="row">
<array dataType="xsd:integer" dictRef="cc:serial" size="56">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="56">C N C C H N H H H O C C H H N H H C C C H H H H H H H H H H O C C H H N H H C C C H H H H H O H H H H O H C O O</array>
<array dataType="xsd:double" dictRef="x:charge" size="56">0.326447 -0.707852 0.085378 -0.027845 0.118211 -0.348214 0.136932 0.181099 0.389484 -0.643906 0.114106 -0.165177 0.077987 0.085673 0.171144 0.141371 0.121892 -0.133373 -0.192964 -0.182965 0.127787 0.120982 0.125681 0.124498 0.127052 0.141393 0.132505 0.136437 0.126558 0.367848 -0.653173 0.139429 0.034195 -0.005717 0.067402 -0.291623 0.053353 0.075694 0.050311 -0.171422 0.119622 0.061415 0.052953 0.079068 0.106073 0.096974 -0.615963 0.044733 0.057518 0.367053 0.304806 -0.600802 0.275177 0.863183 -0.789524 -0.798904</array>
</list>
<scalar dataType="xsd:double" dictRef="x:chargesum">-0.00000</scalar>
</module>
</property>
<property>
<module cmlx:templateRef="l716.dipole">
<array cmlx:templateRef="dipole" dataType="xsd:double" dictRef="x:d" size="3">-4.45742280e+00 -1.40290596e+00 -4.22277604e+00</array>
</module>
</property>
<property dictRef="cc:forces">
<scalar dictRef="cc:linkToAtoms">./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999']</scalar>
</property>
<property dictRef="cc:multipole">
<list cmlx:templateRef="multipole">
<array dataType="xsd:double" dictRef="cc:dipole" size="3">-11.3296 -3.5658 -10.7332</array>
<scalar dataType="xsd:double" dictRef="x:dipole">16.0087</scalar>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-47.9505 -125.7948 -181.0780</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">30.4785 -12.4250 5.8944</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="6">70.3239 -7.5204 -62.8036 30.4785 -12.4250 5.8944</array>
<array dataType="xsd:double" dictRef="cc:octapole" size="10">-186.7589 -31.6545 -81.4046 22.3673 -153.7916 3.0128 -26.9536 -4.1315 -26.0755 -2.0281</array>
<array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-4264.0613 -3594.8079 -2206.5097 249.5737 136.9895 222.0912 -53.5953 -23.0987 -25.5116 -1220.5934 -1265.4992 -888.4679 -22.6234 36.2716 1.4311</array>
</list>
</property>
<property dictRef="cc:virtualorbs">
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<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;11;12;18;19;20;32;33;39;40;41;54;2;6;15;36;10;31;47;52;55;56;5;7;8;9;13;14;16;17;21;22;23;24;25;26;27;28;29;30;34;35;37;38;42;43;44;45;46;48;49;50;51;53/rA:56nC0N0C0C0H0N0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0H0H0H0H0H0O0C0C0H0H0N0H0H0C0C0C0H0H0H0H0H0O0H0H0H0H0O0H0C0O0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.4409,2.8741,.9602;-.5352,3.2029,.1365;.0587,3.9124,-.8785;1.4001,4.0132,-.6549;-.5129,4.3048,-1.7041;1.6222,3.3468,.5191;2.196,4.4874,-1.2018;.3489,2.2853,1.8614;-1.9249,2.1459,-.0947;-2.5274,1.3761,-.276;-2.489,.5417,.8655;-2.6121,-.9157,.522;-1.529,.634,1.3878;-3.2593,.8363,1.5869;-3.9254,-1.3551,-.1064;-1.8343,-1.2332,-.1728;-2.5144,-1.4962,1.4378;-3.9648,-2.8478,-.0639;-4.0123,-.9233,-1.5343;-5.0942,-.8184,.6464;-3.0866,-3.233,-.5743;-4.868,-3.1842,-.5652;-3.9669,-3.1695,.9731;-4.9391,-1.3097,-1.949;-3.1628,-1.3352,-2.0715;-3.9996,.1592,-1.5816;-5.1415,.2583,.5182;-4.9844,-1.073,1.6969;-5.9943,-1.2738,.2442;-1.4571,.7065,-1.6617;-.7481,.303,-2.1958;.4108,.2787,-1.3745;1.227,-.9376,-1.7473;.1327,.2232,-.3166;.9886,1.2023,-1.5061;2.4896,-1.0324,-1.0165;1.3956,-.9467,-2.8368;.6376,-1.8282,-1.5161;2.9931,-2.4054,-1.0789;3.4681,-.068,-1.4991;4.257,-2.6449,-.2997;2.2059,-3.0545,-.6883;3.1767,-2.7124,-2.1211;3.8093,-.2877,-2.5213;3.0414,.9337,-1.4918;4.338,-.05,-.8435;4.0368,-2.3093,1.0619;4.5216,-3.7031,-.4072;5.0924,-2.0681,-.7123;4.8552,-2.4724,1.5424;2.2328,-.4113,.7238;2.0808,.1312,1.541;2.5137,3.213,.9695;.9907,-.3997,2.1979;.4982,-1.4517,1.73;.6206,.2459,3.2016;</scalar>
</formula>
</molecule>
<module dictRef="cc:userDefinedModule" id="otherComponents">
<module cmlx:templateRef="l101" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l101.title">
<scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">Checking optimization</scalar>
</module>
<module cmlx:templateRef="l101.redundantcoords">
<scalar cmlx:templateRef="redundant" dataType="xsd:string" dictRef="g:redundant">Redundant internal coordinates found in file.  (old form).</scalar>
</module>
<module cmlx:templateRef="l101.isotope2">
<array cmlx:templateRef="atom" dataType="xsd:integer" dictRef="x:x" size="56">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56</array>
<array cmlx:templateRef="iatwgt" dataType="xsd:integer" dictRef="x:x" size="56">12 14 12 12 1 14 1 1 1 16 12 12 1 1 14 1 1 12 12 12 1 1 1 1 1 1 1 1 1 1 16 12 12 1 1 14 1 1 12 12 12 1 1 1 1 1 16 1 1 1 1 16 1 12 16 16</array>
<array cmlx:templateRef="atmwgt" dataType="xsd:double" dictRef="x:x" size="56">12.0000000 14.0030740 12.0000000 12.0000000 1.0078250 14.0030740 1.0078250 1.0078250 1.0078250 15.9949146 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 12.0000000 15.9949146 15.9949146</array>
<array cmlx:templateRef="nucspn" dataType="xsd:integer" dictRef="x:x" size="56">0 2 0 0 1 2 1 1 1 0 0 0 1 1 2 1 1 0 0 0 1 1 1 1 1 1 1 1 1 1 0 0 0 1 1 2 1 1 0 0 0 1 1 1 1 1 0 1 1 1 1 0 1 0 0 0</array>
<array cmlx:templateRef="atzeff" dataType="xsd:double" dictRef="x:x" size="56">3.6000000 4.5500000 3.6000000 3.6000000 1.0000000 4.5500000 1.0000000 1.0000000 1.0000000 5.6000000 3.6000000 3.6000000 1.0000000 1.0000000 4.5500000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 5.6000000 3.6000000 3.6000000 1.0000000 1.0000000 4.5500000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 3.6000000 5.6000000 5.6000000</array>
</module>
<list cmlx:templateRef="rest">
<scalar dataType="xsd:string" dictRef="x:l101">(Enter /usr/local/gaussian/g16a03/g16/l101.exe)</scalar>
<scalar dataType="xsd:string" dictRef="x:l101">Structure from the checkpoint file:  "run.chk"</scalar>
</list>
</module>
<module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
<list cmlx:templateRef="berny">
<scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
</list>
<module cmlx:templateRef="l103.init">
<list cmlx:templateRef="length">
<array dataType="xsd:string" dictRef="g:symbol" size="57">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="57">1 1 1 2 2 3 3 4 4 6 9 10 10 11 11 11 12 12 12 15 15 15 18 18 18 19 19 19 20 20 20 30 31 32 32 32 33 33 33 36 36 36 39 39 39 40 40 40 41 41 41 47 51 52 52 54 54</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="57">2 6 8 3 9 4 5 6 7 53 10 11 30 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 31 32 33 34 35 36 37 38 39 40 51 41 42 43 44 45 46 47 48 49 50 52 53 54 55 56</array>
<array dataType="xsd:double" dictRef="cc:distance" size="57">1.3189 1.3466 1.0804 1.3734 1.7613 1.3636 1.0781 1.3681 1.0759 1.0077 0.9942 1.4144 1.8746 1.5024 1.0968 1.0957 1.5208 1.0902 1.0886 1.4938 1.4943 1.4902 1.0863 1.0864 1.0858 1.0864 1.0862 1.0836 1.0854 1.0865 1.086 0.9751 1.4206 1.5115 1.0953 1.0974 1.462 1.1025 1.0927 1.4638 1.4562 1.8656 1.504 1.0925 1.1019 1.0998 1.0888 1.0895 1.4195 1.0961 1.0959 0.963 0.9925 3.1641 1.3791 1.2523 1.2494</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="57">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically</array>
</list>
<list cmlx:templateRef="angle">
<array dataType="xsd:string" dictRef="g:symbol" size="98">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="98">2 2 6 1 1 3 2 2 4 3 3 6 1 1 4 9 9 11 10 10 10 12 12 13 11 11 11 15 15 16 12 12 12 18 18 19 15 15 15 21 21 22 15 15 15 24 24 25 15 15 15 27 27 28 30 31 31 31 33 33 34 32 32 32 36 36 37 33 33 33 39 39 40 36 36 36 41 41 42 36 36 36 44 44 45 39 39 39 47 47 48 41 51 51 53 52 52 55</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="98">1 1 1 2 2 2 3 3 3 4 4 4 6 6 6 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 15 15 15 15 15 15 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 31 32 32 32 32 32 32 33 33 33 33 33 33 36 36 36 36 36 36 39 39 39 39 39 39 40 40 40 40 40 40 41 41 41 41 41 41 47 52 52 52 54 54 54</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="98">6 8 8 3 9 9 4 5 5 6 7 7 4 53 53 11 30 30 12 13 14 13 14 14 15 16 17 16 17 17 18 19 20 19 20 20 21 22 23 22 23 23 24 25 26 25 26 26 27 28 29 28 29 29 32 33 34 35 34 35 35 36 37 38 37 38 38 39 40 51 40 51 51 41 42 43 42 43 43 44 45 46 45 46 46 47 48 49 48 49 49 50 53 54 54 55 56 56</array>
<array dataType="xsd:double" dictRef="cc:angle" size="98">110.9297 126.4241 122.6283 105.6824 121.0861 123.6585 110.0179 121.6473 128.3348 105.3355 132.6013 122.0622 108.0336 125.6691 126.2857 107.046 93.7468 111.7348 112.6797 111.0049 110.709 105.2042 110.7187 106.2027 116.4549 111.6964 108.5192 105.582 105.7261 108.4734 107.4419 111.2003 111.3768 108.3226 108.9534 109.4534 108.6401 108.5558 108.8629 110.2153 110.1932 110.3252 108.1536 108.5143 109.2444 110.0988 110.4036 110.3697 109.3781 108.9546 108.178 110.5497 109.6423 110.0944 106.4704 108.1581 110.6198 110.2295 109.5463 111.3099 106.9895 113.2789 109.4472 108.2075 111.1833 107.8907 106.556 109.6682 111.823 109.0206 112.0833 113.5396 100.4371 114.607 107.1124 111.0361 109.0071 107.7929 107.0191 112.5952 110.1023 110.3665 108.1566 108.3587 107.0764 109.2026 107.8102 111.2066 111.0902 110.7892 106.6899 107.8652 111.2659 107.6289 124.6905 117.1475 114.7011 128.1513</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="98">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically</array>
</list>
<list cmlx:templateRef="lll">
<array dataType="xsd:string" dictRef="g:symbol" size="8">A99 A100 A101 A102 A103 A104 A105 A106</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="8">2 10 36 6 2 10 36 6</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="8">9 30 51 53 9 30 51 53</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="8">10 31 52 52 10 31 52 52</array>
<array dataType="xsd:integer" dictRef="g:atom4" size="8">13 4 2 12 13 4 2 12</array>
<array dataType="xsd:integer" dictRef="g:atom5" size="8">-1 -1 -1 -1 -2 -2 -2 -2</array>
<scalar dataType="xsd:double" dictRef="g:lll">172.8636</scalar>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="8">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically</array>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">174.2268</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">168.3794</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">95.8897</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">193.3994</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">166.6255</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">187.92</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">167.2014</scalar>
</list>
<list cmlx:templateRef="dihed">
<array dataType="xsd:string" dictRef="g:symbol" size="142">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="142">6 6 8 8 2 2 8 8 1 1 9 9 1 1 3 3 2 2 5 5 3 3 7 7 1 1 4 4 9 9 9 30 30 30 9 11 10 10 10 13 13 13 14 14 14 11 11 11 16 16 16 17 17 17 12 12 12 19 19 19 20 20 20 12 12 12 18 18 18 20 20 20 12 12 12 18 18 18 19 19 19 30 30 30 31 31 31 34 34 34 35 35 35 32 32 32 37 37 37 38 38 38 33 33 33 40 40 40 51 51 51 33 33 33 39 39 39 51 51 51 33 33 39 39 40 40 36 36 36 42 42 42 43 43 43 39 48 49 51 51 53 53</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="142">1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 6 6 6 6 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 31 31 31 32 32 32 32 32 32 32 32 32 33 33 33 33 33 33 33 33 33 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 39 39 39 39 39 39 39 39 39 41 41 41 52 52 52 52</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="142">2 2 2 2 6 6 6 6 3 3 3 3 10 10 10 10 4 4 4 4 6 6 6 6 52 52 52 52 11 11 11 11 11 11 31 31 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 32 32 32 33 33 33 33 33 33 33 33 33 36 36 36 36 36 36 36 36 36 39 39 39 39 39 39 39 39 39 40 40 40 40 40 40 40 40 40 52 52 52 52 52 52 41 41 41 41 41 41 41 41 41 47 47 47 54 54 54 54</array>
<array dataType="xsd:integer" dictRef="g:atom4" size="142">3 9 3 9 4 53 4 53 4 5 4 5 11 30 11 30 6 7 6 7 1 53 1 53 51 54 51 54 12 13 14 12 13 14 32 32 15 16 17 15 16 17 15 16 17 18 19 20 18 19 20 18 19 20 21 22 23 21 22 23 21 22 23 24 25 26 24 25 26 24 25 26 27 28 29 27 28 29 27 28 29 33 34 35 36 37 38 36 37 38 36 37 38 39 40 51 39 40 51 39 40 51 41 42 43 41 42 43 41 42 43 44 45 46 44 45 46 44 45 46 53 54 53 54 53 54 47 48 49 47 48 49 47 48 49 50 50 50 55 56 55 56</array>
<array dataType="xsd:double" dictRef="cc:dihed" size="142">0.3098 147.6059 -178.1772 -30.8811 -0.2159 -179.0367 178.3385 -0.4822 -0.2929 179.6787 -146.5202 33.4514 22.7363 -88.7529 158.1491 46.6599 0.1649 -179.4568 -179.8044 0.574 0.0252 178.8367 179.6966 -1.4919 109.422 -9.0918 12.3126 -106.2013 -145.7759 -28.0705 89.6203 -44.4838 73.2216 -169.0875 53.3854 -55.2715 -64.2967 57.0956 176.6284 174.629 -63.9788 55.5541 60.3018 -178.306 -58.7731 -166.774 74.8469 -47.5264 68.6536 -49.7255 -172.0988 -46.198 -164.5771 73.0496 -56.6213 -176.4828 63.3929 63.6003 -56.2612 -176.3855 -177.4095 62.729 -57.3952 176.8181 57.4 -62.9782 58.9709 -60.4472 179.1746 -59.703 -179.1211 60.5007 68.5574 -52.3887 -172.0664 -173.099 65.955 -53.7227 -54.8173 -175.7633 64.559 147.9584 27.9842 -90.1398 176.8076 52.1212 -63.6169 -62.5467 172.7669 57.0288 55.5728 -69.1136 175.1483 161.041 -73.9858 36.1626 -75.2179 49.7552 159.9037 41.2843 166.2575 -83.5941 -176.9856 -55.9339 60.5868 58.1916 179.2434 -64.2359 -54.7622 66.2896 -177.1897 -67.6014 53.1778 171.1742 56.0213 176.8005 -65.2031 176.8844 -62.3364 55.66 -83.8266 52.5921 151.5385 -72.0427 31.7552 168.174 58.157 178.9614 -64.4097 -61.8471 58.9574 175.5863 -177.6749 -56.8705 59.7585 179.8074 61.0264 -57.3763 5.0696 -175.0196 138.1329 -41.9564</array>
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</list>
</module>
</module>
<module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
<list cmlx:templateRef="berny">
<scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
</list>
<module cmlx:templateRef="l103.localminsaddle">
<scalar cmlx:templateRef="r" dataType="xsd:string" dictRef="cc:minmaxts">local minimum</scalar>
<array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="9">Step number 1 out of a maximum of 2</array>
<array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="7">All quantities printed in internal units (Hartrees-Bohrs-Radians)</array>
<array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="9">Second derivative matrix not updated -- analytic derivatives used.</array>
<array cmlx:templateRef="eigenvaluelist" dataType="xsd:double" dictRef="" size="162">0.00084 0.00178 0.00190 0.00233 0.00259 0.00291 0.00292 0.00388 0.00418 0.00430 0.00462 0.00479 0.00489 0.00537 0.00552 0.00605 0.00670 0.00815 0.00976 0.01141 0.01174 0.01245 0.01322 0.01398 0.01433 0.01617 0.01763 0.01893 0.01961 0.02022 0.02386 0.02539 0.02698 0.03018 0.03315 0.03466 0.03599 0.03921 0.04058 0.04190 0.04328 0.04505 0.04554 0.04567 0.04590 0.04602 0.04644 0.04673 0.04690 0.04697 0.04771 0.04909 0.05012 0.05065 0.05187 0.05259 0.05630 0.05679 0.06055 0.06202 0.06358 0.06834 0.07123 0.07522 0.07643 0.07859 0.08469 0.09060 0.09529 0.09971 0.09980 0.10470 0.10606 0.11549 0.11582 0.11732 0.11747 0.12496 0.12556 0.12598 0.12759 0.13444 0.13603 0.13842 0.14140 0.14348 0.14430 0.15410 0.15825 0.16549 0.16806 0.16883 0.17095 0.17162 0.17293 0.17568 0.17728 0.18773 0.19429 0.19562 0.19917 0.20894 0.22742 0.24067 0.24709 0.24996 0.26554 0.26624 0.27719 0.29306 0.29624 0.29820 0.30178 0.30282 0.30785 0.31236 0.31862 0.31953 0.32094 0.32156 0.32486 0.32564 0.32800 0.33262 0.33330 0.33603 0.33682 0.33857 0.34442 0.34509 0.34727 0.35318 0.35389 0.35420 0.35430 0.35446 0.35494 0.35534 0.35560 0.35603 0.35835 0.36004 0.36348 0.36906 0.37300 0.37785 0.38242 0.38553 0.39420 0.39903 0.40413 0.41405 0.42301 0.42504 0.43153 0.45719 0.46403 0.48048 0.52130 0.57080 0.57399 0.76993</array>
<array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="8">Angle between quadratic step and forces= 70.58 degrees.</array>
<list cmlx:templateRef="iterationList">
<array dataType="xsd:integer" dictRef="cc:serial" size="3">1 2 3</array>
<array dataType="xsd:double" dictRef="g:rmscart" size="3">0.00173187 0.00000330 0.00000000</array>
<array dataType="xsd:double" dictRef="g:rmsint" size="3">0.00000173 0.00000044 0.00000044</array>
</list>
</module>
<module cmlx:templateRef="l103.deltas">
<list cmlx:templateRef="delta">
<array dataType="xsd:string" dictRef="cc:variable" size="305">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142</array>
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</list>
</module>
<module cmlx:templateRef="l103.itemconverge">
<list cmlx:templateRef="row">
<array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">|Maximum Force|RMS     Force|Maximum Displacement|RMS     Displacement|</array>
<array dataType="xsd:double" dictRef="g:value" size="4">0.000029 0.000006 0.011229 0.001732</array>
<array dataType="xsd:double" dictRef="g:threshold" size="4">0.000450 0.000300 0.001800 0.001200</array>
<array dataType="xsd:string" dictRef="g:converged" size="4">YES YES NO NO</array>
</list>
</module>
<module cmlx:templateRef="preddelta">
<list cmlx:templateRef="predicted">
<scalar dataType="xsd:double" dictRef="g:predchange">-2.189382e-07</scalar>
</list>
</module>
</module>
</module>
</module>
<module dictRef="cc:calculation" id="calculation">
<module dictRef="cc:userDefinedModule" id="otherComponents">
<module cmlx:templateRef="l301">
<module cmlx:templateRef="l301.basis">
<scalar dataType="xsd:string" dictRef="cc:basis">def2TZVP</scalar>
<scalar dataType="xsd:string" dictRef="cc:diffuse">(5D, 7F)</scalar>
<module cmlx:templateRef="ernie">
<scalar dataType="xsd:double" dictRef="g:thresh">0.10000e-02</scalar>
<scalar dataType="xsd:double" dictRef="g:tol">0.10000e-05</scalar>
<scalar dataType="xsd:string" dictRef="g:strict">F</scalar>
</module>
<list cmlx:templateRef="symmadaptcart">
<array dataType="xsd:integer" dictRef="cc:adapted" size="1">1056</array>
<array dataType="xsd:string" dictRef="cc:symm" size="1">A</array>
</list>
<list cmlx:templateRef="symmadapt">
<array dataType="xsd:integer" dictRef="cc:adapted" size="1">936</array>
<array dataType="xsd:string" dictRef="cc:symm" size="1">A</array>
</list>
<scalar dataType="xsd:integer" dictRef="cc:basiscount">936</scalar>
<scalar dataType="xsd:integer" dictRef="g:primbasis">1480</scalar>
<scalar dataType="xsd:integer" dictRef="cc:cartesianbasis">1056</scalar>
<scalar dataType="xsd:integer" dictRef="cc:alphae">96</scalar>
<scalar dataType="xsd:integer" dictRef="cc:betae">96</scalar>
<scalar dataType="xsd:double" dictRef="cc:nucrepener">2433.0079771648</scalar>
<scalar dataType="xsd:integer" dictRef="cc:natoms">56</scalar>
<scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">56</scalar>
<scalar dataType="xsd:integer" dictRef="cc:uniqatoms">56</scalar>
<scalar dataType="xsd:double" dictRef="g:sfac">1.00e+00</scalar>
<scalar dataType="xsd:integer" dictRef="g:natfmm">60</scalar>
<scalar dataType="xsd:string" dictRef="g:big">F</scalar>
<scalar dataType="xsd:string" dictRef="g:misc">IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX=  0.000000</scalar>
<scalar dataType="xsd:string" dictRef="g:misc">ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000</scalar>
<scalar dataType="xsd:string" dictRef="g:misc">IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4</scalar>
</module>
<module cmlx:templateRef="l301.pcm.standard">
<scalar dataType="xsd:string" dictRef="g:model">PCM</scalar>
<scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
<scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
<scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
<scalar dataType="xsd:string" dictRef="g:solutionmethod">Matrix inversion</scalar>
<scalar dataType="xsd:string" dictRef="g:solvent">Ethanol</scalar>
<scalar dataType="xsd:double" dictRef="g:eps">24.852000</scalar>
<scalar dataType="xsd:double" dictRef="g:epsinfinity">1.852593</scalar>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C14H32N4O6</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2437585 0.1581610 0.1279111</array>
</module>
</module>
<module cmlx:templateRef="l302">
<module cmlx:templateRef="l302.basis">
<list cmlx:templateRef="basis">
<scalar dataType="xsd:string" dictRef="g:basis">NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1</scalar>
<scalar dataType="xsd:string" dictRef="g:basis">NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.</scalar>
<scalar dataType="xsd:string" dictRef="g:basis">One-electron integrals computed using PRISM.</scalar>
<scalar dataType="xsd:string" dictRef="g:basis">One-electron integral symmetry used in STVInt</scalar>
</list>
</module>
<module cmlx:templateRef="l302.basis2">
<list cmlx:templateRef="basis">
<scalar dataType="xsd:string" dictRef="g:basis">Precomputing XC quadrature grid using</scalar>
<scalar dataType="xsd:string" dictRef="g:basis">IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.</scalar>
<scalar dataType="xsd:string" dictRef="g:basis">Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32</scalar>
<scalar dataType="xsd:string" dictRef="g:basis">NSgBfM=  1042  1041  1042  1042  1042 MxSgAt=    56 MxSgA2=    56.</scalar>
</list>
</module>
</module>
<module cmlx:templateRef="l303.basis">
<list cmlx:templateRef="l303">
<scalar dataType="xsd:integer" dictRef="g:dipdrv">1</scalar>
</list>
</module>
<module cmlx:templateRef="l502">
<scalar dataType="xsd:string" dictRef="g:l502.type">Closed</scalar>
<module cmlx:templateRef="l502.cycle">
<list cmlx:templateRef="cycle">
<list>
<scalar dataType="xsd:integer" dictRef="cc:cycle">1</scalar>
<scalar dataType="xsd:integer" dictRef="g:pass">1</scalar>
<scalar dataType="xsd:integer" dictRef="g:idiag">1</scalar>
</list>
</list>
<module cmlx:templateRef="l502.e">
<list cmlx:templateRef="l502.e">
<scalar dataType="xsd:double" dictRef="g:l502.e">-1223.44309668843</scalar>
</list>
</module>
</module>
<module cmlx:templateRef="l502.footer">
<list cmlx:templateRef="scfdone">
<list>
<scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-1223.44309669</scalar>
<scalar dataType="xsd:integer" dictRef="cc:ncycle">1</scalar>
</list>
</list>
<module cmlx:templateRef="scfdone">
<list cmlx:templateRef="scfdone">
<list>
<scalar dataType="xsd:double" dictRef="cc:kinener">1.218409071724e+03</scalar>
<scalar dataType="xsd:double" dictRef="cc:potener">-7.730527906187e+03</scalar>
<scalar dataType="xsd:double" dictRef="cc:eener">2.855663062075e+03</scalar>
</list>
</list>
</module>
</module>
<list cmlx:templateRef="l502">
<scalar dataType="xsd:string" dictRef="g:l502">Using DIIS extrapolation, IDIIS=  1040.</scalar>
<scalar dataType="xsd:string" dictRef="g:l502">NGot= 14763950080 LenX= 14761680668 LenY= 14760564476</scalar>
<scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.</scalar>
<scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on MAX density matrix=1.00D-06.</scalar>
<scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on             energy=1.00D-06.</scalar>
<scalar dataType="xsd:string" dictRef="g:l502">No special actions if energy rises.</scalar>
<scalar dataType="xsd:string" dictRef="g:l502">Fock matrices will be formed incrementally for  20 cycles.</scalar>
<scalar dataType="xsd:string" dictRef="g:l502"/>
</list>
</module>
<module cmlx:templateRef="l1101">
<list cmlx:templateRef="l1101">
<scalar dataType="xsd:string" dictRef="g:l1101">Using compressed storage, NAtomX=    56.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1101">Will process     57 centers per pass.</scalar>
</list>
</module>
<module cmlx:templateRef="l1102">
<list cmlx:templateRef="l1102">
<scalar dataType="xsd:string" dictRef="g:l1102">Symmetrizing basis deriv contribution to polar:</scalar>
<scalar dataType="xsd:string" dictRef="g:l1102">IMax=3 JMax=2 DiffMx= 0.00D+00</scalar>
</list>
</module>
<module cmlx:templateRef="l1002.minotr">
<list cmlx:templateRef="l1002">
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">Minotr:  Closed shell wavefunction.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">IDoAtm=11111111111111111111111111111111111111111111111111</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">IDoAtm=111111</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">NEqPCM:  Using equilibrium solvation (IEInf=0, Eps=  24.8520, EpsInf=   1.8526)</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">Direct CPHF calculation.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">Differentiating once with respect to electric field.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">with respect to dipole field.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">Differentiating once with respect to nuclear coordinates.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">17039 words used for storage of precomputed grid.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">Two-electron integrals replicated using symmetry.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">MDV=   14763950080 using IRadAn=       1.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">Solving linear equations simultaneously, MaxMat=     364.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">FoF2E skips out because all densities are zero.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu exits because no D1Ps are significant.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">IRaf= 730000000 NMat=     168 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">There are   171 degrees of freedom in the 1st order CPHF.  IDoFFX=6 NUNeed=     3.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">168 vectors produced by pass  0 Test12= 8.06D-14 1.00D-09 XBig12= 2.02D+02 4.13D+00.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">AX will form   168 AO Fock derivatives at one time.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">168 vectors produced by pass  1 Test12= 8.06D-14 1.00D-09 XBig12= 4.33D+01 1.53D+00.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">168 vectors produced by pass  2 Test12= 8.06D-14 1.00D-09 XBig12= 6.88D-01 5.25D-02.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">168 vectors produced by pass  3 Test12= 8.06D-14 1.00D-09 XBig12= 8.25D-03 4.84D-03.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">168 vectors produced by pass  4 Test12= 8.06D-14 1.00D-09 XBig12= 3.91D-05 5.50D-04.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">164 vectors produced by pass  5 Test12= 8.06D-14 1.00D-09 XBig12= 8.94D-08 1.80D-05.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">66 vectors produced by pass  6 Test12= 8.06D-14 1.00D-09 XBig12= 1.69D-10 5.41D-07.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">3 vectors produced by pass  7 Test12= 8.06D-14 1.00D-09 XBig12= 3.22D-13 3.06D-08.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">3 vectors produced by pass  8 Test12= 8.06D-14 1.00D-09 XBig12= 6.23D-16 1.71D-09.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">InvSVY:  IOpt=1 It=  1 EMax= 1.60D-14</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">Solved reduced A of dimension  1076 with   171 vectors.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">FullF1:  Do perturbations      1 to       3.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">Isotropic polarizability for W=    0.000000      307.42 Bohr**3.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">End of Minotr F.D. properties file   721 does not exist.</scalar>
</list>
</module>
<module cmlx:templateRef="l601.polariz">
<array dataType="xsd:double" dictRef="g:l601.pol.exact" size="6">319.516 11.375 295.877 -3.199 -5.395 306.858</array>
<array dataType="xsd:double" dictRef="g:l601.pol.approx" size="6">362.343 14.819 327.323 -1.595 -8.857 353.993</array>
</module>
<module cmlx:templateRef="l716">
<list cmlx:templateRef="l716">
<scalar dataType="xsd:string" dictRef="g:l716">(Enter /usr/local/gaussian/g16a03/g16/l716.exe)</scalar>
</list>
</module>
</module>
</module>
<module dictRef="cc:finalization" id="finalization">
<propertyList>
<property dictRef="cc:jobtime">
<scalar dataType="xsd:string">PT207191.500S</scalar>
</property>
<property dictRef="cc:jobdatetime.end">
<scalar dataType="xsd:date">2024-12-11T23:39:36.000</scalar>
</property>
<property dictRef="cc:popanal">
<module cmlx:templateRef="l601.popanal">
<array dataType="xsd:double" dictRef="g:alphaocc" size="96">-18.96184 -18.96087 -18.95342 -18.95145 -18.89906 -18.89826 -14.30427 -14.22466 -14.17679 -14.16496 -10.15464 -10.10036 -10.09883 -10.09655 -10.09172 -10.09147 -10.08808 -10.08644 -10.08102 -10.07163 -10.06569 -10.06362 -10.05992 -10.05817 -1.03376 -0.99857 -0.99120 -0.98268 -0.98199 -0.97757 -0.93607 -0.91260 -0.89103 -0.84103 -0.73941 -0.71841 -0.70725 -0.70682 -0.70407 -0.68764 -0.63484 -0.63012 -0.57611 -0.56793 -0.56170 -0.55466 -0.53833 -0.52185 -0.51760 -0.50017 -0.48805 -0.48108 -0.47850 -0.47196 -0.46693 -0.44962 -0.42914 -0.42103 -0.41993 -0.41348 -0.40548 -0.40433 -0.40130 -0.39681 -0.39515 -0.38894 -0.38826 -0.38602 -0.38095 -0.37402 -0.36934 -0.36379 -0.36329 -0.36217 -0.36089 -0.35891 -0.35316 -0.34917 -0.34170 -0.32981 -0.32673 -0.31490 -0.31192 -0.30091 -0.29157 -0.26872 -0.25732 -0.25383 -0.24375 -0.23788 -0.23474 -0.23186 -0.22318 -0.21289 -0.19905 -0.19221</array>
<array dataType="xsd:double" dictRef="g:alphavirt" size="840">-0.00435 0.02275 0.02580 0.04335 0.05277 0.05581 0.06042 0.06271 0.06862 0.07032 0.07349 0.07780 0.07798 0.08198 0.08830 0.09238 0.09867 0.10026 0.10434 0.10904 0.11062 0.11075 0.11714 0.11768 0.12447 0.12869 0.12979 0.13548 0.13609 0.14072 0.14162 0.14776 0.14926 0.15100 0.15378 0.16053 0.16224 0.16472 0.17034 0.17452 0.17804 0.17991 0.18471 0.19279 0.19685 0.20192 0.20881 0.21146 0.21241 0.21761 0.22537 0.22890 0.23539 0.24116 0.24554 0.24998 0.25322 0.26045 0.26247 0.26725 0.26777 0.27078 0.27539 0.27734 0.28603 0.28802 0.29210 0.29724 0.30159 0.30451 0.31139 0.31290 0.32088 0.32704 0.33095 0.33457 0.33887 0.34011 0.34280 0.35068 0.35211 0.35391 0.35660 0.36234 0.36654 0.36839 0.37054 0.37465 0.37765 0.38359 0.38544 0.38979 0.39311 0.39712 0.40157 0.40469 0.40771 0.40932 0.41101 0.41232 0.42185 0.42297 0.42655 0.43067 0.43171 0.43345 0.43503 0.43607 0.43953 0.44124 0.44453 0.44878 0.45283 0.45526 0.45783 0.46301 0.46603 0.46861 0.47225 0.47665 0.48013 0.48355 0.48708 0.48939 0.49409 0.49512 0.50492 0.50697 0.51509 0.51953 0.52332 0.53066 0.53454 0.53671 0.54009 0.54270 0.54846 0.55872 0.56174 0.56816 0.57418 0.58132 0.58661 0.58907 0.59246 0.59352 0.59941 0.61242 0.61350 0.62541 0.62997 0.63040 0.63836 0.64758 0.65641 0.65871 0.66174 0.67257 0.68085 0.68735 0.69159 0.69983 0.70388 0.70815 0.71107 0.72361 0.72860 0.73258 0.73993 0.74330 0.74415 0.75601 0.76434 0.77001 0.77543 0.78834 0.79028 0.79443 0.80009 0.80613 0.80712 0.81988 0.83099 0.83794 0.84305 0.84525 0.84905 0.85474 0.86135 0.86571 0.86984 0.87266 0.87910 0.88495 0.89231 0.90015 0.90873 0.91446 0.91551 0.92423 0.92824 0.93075 0.94043 0.95049 0.95111 0.95588 0.96684 0.97015 0.98101 0.99150 0.99439 1.00773 1.01787 1.02720 1.02957 1.03294 1.04314 1.04715 1.05389 1.06364 1.06814 1.07676 1.08287 1.09318 1.09907 1.10764 1.12017 1.12588 1.13031 1.14225 1.14485 1.15294 1.16094 1.16789 1.17933 1.18119 1.18998 1.19560 1.20632 1.21145 1.22174 1.22251 1.23132 1.23852 1.24368 1.25279 1.26632 1.27301 1.27768 1.28826 1.30414 1.32108 1.32676 1.32843 1.36401 1.36912 1.37574 1.38743 1.39554 1.40686 1.41195 1.41634 1.42577 1.43195 1.44749 1.45537 1.46341 1.46721 1.47311 1.47826 1.48595 1.49142 1.49243 1.49665 1.49890 1.50554 1.50936 1.51266 1.52161 1.52825 1.53156 1.53569 1.53821 1.54873 1.55236 1.55862 1.56112 1.56686 1.56946 1.57169 1.57578 1.58125 1.58717 1.58969 1.59668 1.59752 1.60453 1.61051 1.61259 1.61609 1.62337 1.62944 1.63107 1.64201 1.64456 1.64668 1.65114 1.65318 1.65842 1.66323 1.67082 1.67800 1.68379 1.68946 1.69458 1.70810 1.71109 1.71766 1.72462 1.73728 1.74252 1.75358 1.76275 1.76774 1.77236 1.78384 1.79554 1.80058 1.80416 1.80790 1.82478 1.82840 1.83494 1.84471 1.85143 1.86122 1.86496 1.86834 1.87279 1.88312 1.90124 1.90702 1.91382 1.91561 1.92486 1.94077 1.94470 1.94802 1.95331 1.96367 1.97294 1.98087 1.98986 1.99498 1.99750 2.00733 2.01392 2.03197 2.03549 2.04299 2.04822 2.05471 2.06577 2.08231 2.08801 2.09427 2.09646 2.10198 2.11074 2.11717 2.13040 2.13459 2.13774 2.14248 2.14791 2.15956 2.16547 2.16959 2.17998 2.18296 2.19590 2.20114 2.20771 2.21417 2.22461 2.23868 2.24362 2.24449 2.24956 2.26053 2.26680 2.26994 2.27797 2.28451 2.29033 2.29233 2.29580 2.30919 2.31356 2.31710 2.32599 2.33239 2.34191 2.34914 2.35129 2.36762 2.37116 2.37967 2.38824 2.39112 2.39554 2.40126 2.41392 2.41656 2.42089 2.42394 2.43029 2.43927 2.44446 2.44938 2.45282 2.45967 2.46849 2.47374 2.48112 2.48690 2.48890 2.49524 2.50414 2.50979 2.51472 2.52774 2.53412 2.53638 2.54915 2.55402 2.55742 2.56192 2.57589 2.58401 2.58750 2.59182 2.59911 2.60993 2.61588 2.62071 2.62761 2.63653 2.63885 2.64277 2.64716 2.65185 2.65506 2.66612 2.66869 2.67893 2.68213 2.68740 2.69673 2.71022 2.71431 2.71567 2.73655 2.73728 2.74079 2.75038 2.75516 2.76081 2.76969 2.77786 2.78675 2.79016 2.80244 2.80746 2.81513 2.82484 2.83053 2.84169 2.84516 2.86069 2.87045 2.87164 2.88708 2.88751 2.89408 2.90282 2.90425 2.90716 2.91374 2.92091 2.92541 2.92868 2.93271 2.94154 2.94524 2.95342 2.96191 2.96429 2.97798 2.98107 2.99049 2.99600 3.00272 3.00709 3.01996 3.02774 3.03445 3.03694 3.04545 3.04931 3.05432 3.06778 3.07389 3.07718 3.08304 3.08914 3.09215 3.10066 3.10161 3.11278 3.13009 3.13542 3.13974 3.14088 3.15103 3.15901 3.16076 3.17222 3.17526 3.17565 3.18806 3.19440 3.19893 3.20264 3.20662 3.21677 3.22930 3.23350 3.23577 3.24189 3.24699 3.26499 3.27363 3.27857 3.29611 3.30486 3.31842 3.32210 3.32499 3.32749 3.33259 3.33984 3.34114 3.35007 3.35409 3.36821 3.37141 3.37766 3.38277 3.38790 3.39067 3.39725 3.40255 3.40802 3.41845 3.42099 3.42380 3.42863 3.44416 3.44930 3.45476 3.45750 3.45990 3.46151 3.47088 3.47485 3.48141 3.48757 3.49015 3.50411 3.50845 3.51421 3.51593 3.52128 3.52422 3.53720 3.54080 3.54516 3.55442 3.56034 3.56951 3.57360 3.58112 3.58500 3.59377 3.59700 3.59916 3.60831 3.61272 3.61762 3.62388 3.63934 3.65699 3.66214 3.66816 3.68135 3.68413 3.68793 3.69449 3.71026 3.71963 3.72275 3.72568 3.72830 3.74991 3.76591 3.77473 3.78664 3.79043 3.80770 3.81560 3.83623 3.83777 3.85412 3.85894 3.86420 3.88474 3.89075 3.89794 3.90853 3.92834 3.93224 3.93923 3.94426 3.96946 3.99052 4.00656 4.00736 4.01489 4.02796 4.05758 4.07505 4.07856 4.10437 4.10770 4.12926 4.13610 4.15062 4.15621 4.18606 4.19245 4.19890 4.20101 4.21880 4.23098 4.24060 4.24104 4.24585 4.26189 4.26921 4.29201 4.29599 4.30535 4.33398 4.34349 4.34756 4.35851 4.36484 4.36979 4.37683 4.39859 4.40639 4.42697 4.43109 4.43464 4.45307 4.46581 4.48288 4.49450 4.51341 4.52406 4.53768 4.55179 4.60268 4.63012 4.64031 4.68130 4.69634 4.71382 4.73940 4.75410 4.78287 4.79445 4.83020 4.84927 4.86327 4.89836 4.90336 4.92927 4.95529 4.97540 4.98836 5.01616 5.04628 5.14174 5.16482 5.17672 5.19938 5.20225 5.25364 5.26038 5.30511 5.30759 5.32725 5.32844 5.33293 5.33905 5.34382 5.34649 5.35741 5.37125 5.38213 5.38993 5.39493 5.39757 5.40498 5.42087 5.43253 5.43695 5.45633 5.46957 5.48036 5.48927 5.50071 5.50664 5.51720 5.52350 5.53692 5.54163 5.55074 5.55391 5.56068 5.56636 5.57000 5.58186 5.59856 5.60364 5.61973 5.62560 5.66386 5.67417 5.68265 5.70559 5.72128 5.77046 5.78913 5.79187 5.80203 5.86095 5.87140 5.87834 5.88457 5.89707 5.89960 5.90784 5.91861 5.92329 5.94067 5.98383 6.01976 6.05107 6.05839 6.08377 6.09214 6.12955 6.17551 6.21730 6.30488 6.31316 6.32274 6.39869 6.40852 6.49831 6.53751 6.54785 6.55732 6.58498 6.60605 6.62579 6.63086 6.66601 6.66874 6.68345 6.79030 6.86702 6.88594 6.89721 6.91658 6.92532 6.93190 6.97134 7.01404 7.06640 7.08918 7.12832 7.13993 7.19406 7.20665 7.24144 7.31400 7.33766 7.37118 7.40652 7.43852 7.51603 7.68850 22.50126 22.51192 22.53004 22.54275 22.55416 22.59336 22.61610 22.64986 22.66746 22.68108 22.75137 22.95444 23.00019 23.73006 32.40610 32.49507 32.71586 32.81054 44.02379 44.08361 44.10838 44.21279 44.25058 44.29072</array>
<module cmlx:templateRef="l601.state">
<scalar dataType="xsd:string" dictRef="g:l601.state">1-A.</scalar>
</module>
<module cmlx:templateRef="mulliken">
<module cmlx:templateRef="l601.mullik">
<scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
<scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
<list cmlx:templateRef="row">
<array dataType="xsd:integer" dictRef="cc:serial" size="56">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="56">C N C C H N H H H O C C H H N H H C C C H H H H H H H H H H O C C H H N H H C C C H H H H H O H H H H O H C O O</array>
<array dataType="xsd:double" dictRef="x:charge" size="56">0.326447 -0.707853 0.085377 -0.027844 0.118211 -0.348213 0.136931 0.181099 0.389484 -0.643906 0.114106 -0.165178 0.077987 0.085673 0.171144 0.141371 0.121892 -0.133373 -0.192964 -0.182966 0.127787 0.120982 0.125681 0.124498 0.127052 0.141393 0.132505 0.136437 0.126558 0.367848 -0.653173 0.139428 0.034194 -0.005717 0.067403 -0.291623 0.053353 0.075695 0.050312 -0.171422 0.119622 0.061414 0.052953 0.079068 0.106073 0.096974 -0.615963 0.044733 0.057518 0.367053 0.304806 -0.600802 0.275177 0.863184 -0.789525 -0.798904</array>
</list>
<scalar dataType="xsd:double" dictRef="x:chargesum">-0.00000</scalar>
</module>
</module>
</module>
</property>
<property>
<module cmlx:templateRef="l601.mullik">
<scalar dataType="xsd:string" dictRef="g:title">Mulliken charges with hydrogens summed into heavy atoms:</scalar>
<scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
<list cmlx:templateRef="row">
<array dataType="xsd:integer" dictRef="cc:serial" size="24">1 2 3 4 6 10 11 12 15 18 19 20 31 32 33 36 39 40 41 47 52 54 55 56</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="24">C N C C N O C C N C C C O C C N C C C O O C O O</array>
<array dataType="xsd:double" dictRef="x:charge" size="24">0.507546 -0.707853 0.203588 0.109087 -0.073036 -0.254422 0.277766 0.098085 0.171144 0.241076 0.199979 0.212535 -0.285325 0.201114 0.163242 -0.291623 0.164679 0.110693 0.221874 -0.248911 -0.295995 0.863184 -0.789525 -0.798904</array>
</list>
<scalar dataType="xsd:double" dictRef="x:chargesum">0.00000</scalar>
</module>
</property>
<property>
<module cmlx:templateRef="l716.dipole">
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