<?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-IRENE4124</scalar>
</parameter>
<parameter dictRef="cc:jobname">
<scalar dataType="xsd:string">VONWOLFN</scalar>
</parameter>
<parameter dictRef="cc:title">
<scalar dataType="xsd:string">Porphyrin at formal iron(0) level</scalar>
</parameter>
<parameter dictRef="cc:version">
<scalar dataType="xsd:string">ES64L-G16RevC.02</scalar>
</parameter>
<parameter dictRef="cc:run.date">
<scalar dataType="xsd:string">2-Feb-2026</scalar>
</parameter>
<parameter dictRef="cc:program">
<scalar dataType="xsd:string">Gaussian 16</scalar>
</parameter>
<parameter dictRef="cc:program.date">
<scalar dataType="xsd:string">7-Dec-2021</scalar>
</parameter>
<parameter dictRef="cc:version">
<scalar dataType="xsd:string">ES64L-G16RevC.02</scalar>
</parameter>
</parameterList>
</module>
<module dictRef="cc:initialization" id="initialization">
<parameterList>
<parameter dictRef="cc:nactiveatoms">
<scalar dataType="xsd:integer">77</scalar>
</parameter>
<parameter dictRef="cc:natoms">
<scalar dataType="xsd:integer">77</scalar>
</parameter>
<parameter dictRef="cc:betae">
<scalar dataType="xsd:integer">242</scalar>
</parameter>
<parameter dictRef="cc:alphae">
<scalar dataType="xsd:integer">242</scalar>
</parameter>
<parameter dictRef="cc:basiscount">
<scalar dataType="xsd:integer">951</scalar>
</parameter>
<parameter dictRef="cc:diffuse">
<scalar dataType="xsd:string">(5D, 7F)</scalar>
</parameter>
<parameter dictRef="cc:basis">
<scalar dataType="xsd:string">def2SVP</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:method">
<scalar dataType="xsd:string">RM06L</scalar>
</parameter>
<parameter dictRef="cc:basis">
<scalar dataType="xsd:string">def2SVP/W06</scalar>
</parameter>
<parameter dictRef="g:operation">
<scalar dataType="xsd:string">FOpt</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">#P</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">M06L/DEF2SVP/W06</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">EMPIRICALDISPERSION(gd3)</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">scrf=(SMD,solvent=n,n-DiMethylFormamide)</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">opt(maxstep=7)</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">FREQ=noraman</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">INT(ultrafine)</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">SCF(tight)</scalar>
</parameter>
</parameterList>
<molecule cmlx:templateRef="mol" formalCharge="-2" id="zmat" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="1.38913" y3="-2.70466" z3="-0.0396"/>
<atom elementType="N" id="a2" x3="1.47647" y3="-1.31319" z3="0.00062"/>
<atom elementType="C" id="a3" x3="2.84829" y3="-1.06429" z3="0.04474"/>
<atom elementType="C" id="a4" x3="-2.28242" y3="-3.59605" z3="-0.03815"/>
<atom elementType="C" id="a5" x3="-3.3053" y3="-2.68665" z3="0.02155"/>
<atom elementType="C" id="a6" x3="-2.7044" y3="-1.38927" z3="0.03847"/>
<atom elementType="N" id="a7" x3="-1.31298" y3="-1.47653" z3="-0.00164"/>
<atom elementType="C" id="a8" x3="-1.06402" y3="-2.84836" z3="-0.04569"/>
<atom elementType="C" id="a9" x3="2.28284" y3="3.59566" z3="-0.0378"/>
<atom elementType="C" id="a10" x3="3.30551" y3="2.68614" z3="0.02185"/>
<atom elementType="C" id="a11" x3="2.7046" y3="1.38877" z3="0.03879"/>
<atom elementType="N" id="a12" x3="1.31318" y3="1.47624" z3="-0.00141"/>
<atom elementType="C" id="a13" x3="1.06422" y3="2.84798" z3="-0.04546"/>
<atom elementType="C" id="a14" x3="-3.59581" y3="2.28249" z3="0.03802"/>
<atom elementType="C" id="a15" x3="-2.68631" y3="3.30521" z3="-0.02159"/>
<atom elementType="C" id="a16" x3="-1.38889" y3="2.70437" z3="-0.03882"/>
<atom elementType="N" id="a17" x3="-1.47629" y3="1.31295" z3="0.00106"/>
<atom elementType="C" id="a18" x3="-2.84805" y3="1.0639" z3="0.04527"/>
<atom elementType="C" id="a19" x3="3.59595" y3="-2.28273" z3="0.03742"/>
<atom elementType="C" id="a20" x3="2.68653" y3="-3.30561" z3="-0.02241"/>
<atom elementType="C" id="a21" x3="0.20111" y3="-3.43344" z3="-0.0669"/>
<atom elementType="C" id="a22" x3="-0.20092" y3="3.43325" z3="-0.06634"/>
<atom elementType="C" id="a23" x3="-3.43324" y3="-0.20124" z3="0.06605"/>
<atom elementType="C" id="a24" x3="3.43339" y3="0.20087" z3="0.06625"/>
<atom elementType="H" id="a25" x3="-2.35148" y3="-4.68385" z3="-0.06572"/>
<atom elementType="H" id="a26" x3="-4.37793" y3="-2.8808" z3="0.04444"/>
<atom elementType="H" id="a27" x3="2.3505" y3="4.68353" z3="-0.06531"/>
<atom elementType="H" id="a28" x3="4.37819" y3="2.88018" z3="0.04473"/>
<atom elementType="H" id="a29" x3="-4.68367" y3="2.3501" z3="0.0658"/>
<atom elementType="H" id="a30" x3="-2.88038" y3="4.37789" z3="-0.04418"/>
<atom elementType="H" id="a31" x3="4.68374" y3="-2.35182" z3="0.06529"/>
<atom elementType="H" id="a32" x3="2.88068" y3="-4.37824" z3="-0.0451"/>
<atom elementType="C" id="a33" x3="-0.28803" y3="4.91661" z3="-0.13316"/>
<atom elementType="C" id="a34" x3="-0.35421" y3="5.55692" z3="-1.38138"/>
<atom elementType="C" id="a35" x3="-0.30704" y3="5.74556" z3="1.00108"/>
<atom elementType="C" id="a36" x3="-0.43489" y3="6.9427" z3="-1.49917"/>
<atom elementType="C" id="a37" x3="-0.38641" y3="7.13675" z3="0.90417"/>
<atom elementType="C" id="a38" x3="-0.45064" y3="7.73527" z3="-0.35226"/>
<atom elementType="H" id="a39" x3="-0.34063" y3="4.93342" z3="-2.28017"/>
<atom elementType="H" id="a40" x3="-0.48445" y3="7.40346" z3="-2.48857"/>
<atom elementType="H" id="a41" x3="-0.39794" y3="7.74866" z3="1.80837"/>
<atom elementType="H" id="a42" x3="-0.5128" y3="8.82341" z3="-0.42832"/>
<atom elementType="C" id="a43" x3="4.91671" y3="0.28812" z3="0.13322"/>
<atom elementType="C" id="a44" x3="5.55583" y3="0.35608" z3="1.38219"/>
<atom elementType="C" id="a45" x3="5.74662" y3="0.30586" z3="-0.99999"/>
<atom elementType="C" id="a46" x3="6.94144" y3="0.43727" z3="1.5009"/>
<atom elementType="C" id="a47" x3="7.13777" y3="0.38589" z3="-0.90225"/>
<atom elementType="C" id="a48" x3="7.73512" y3="0.45132" z3="0.35464"/>
<atom elementType="H" id="a49" x3="4.93108" y3="0.34373" z3="2.2801"/>
<atom elementType="H" id="a50" x3="7.40144" y3="0.48863" z3="2.49058"/>
<atom elementType="H" id="a51" x3="7.75026" y3="0.39714" z3="-1.80605"/>
<atom elementType="H" id="a52" x3="8.82318" y3="0.51371" z3="0.43166"/>
<atom elementType="C" id="a53" x3="0.28825" y3="-4.91682" z3="-0.13301"/>
<atom elementType="C" id="a54" x3="0.30539" y3="-5.74531" z3="1.00168"/>
<atom elementType="C" id="a55" x3="0.35662" y3="-5.55778" z3="-1.38083"/>
<atom elementType="C" id="a56" x3="0.38522" y3="-7.13646" z3="0.90567"/>
<atom elementType="C" id="a57" x3="0.43774" y3="-6.94364" z3="-1.4979"/>
<atom elementType="C" id="a58" x3="0.45118" y3="-7.73559" z3="-0.3506"/>
<atom elementType="H" id="a59" x3="0.34476" y3="-4.93485" z3="-2.28005"/>
<atom elementType="H" id="a60" x3="0.39592" y3="-7.74846" z3="1.80979"/>
<atom elementType="H" id="a61" x3="0.48951" y3="-7.40492" z3="-2.48694"/>
<atom elementType="H" id="a62" x3="0.51341" y3="-8.82386" z3="-0.42488"/>
<atom elementType="C" id="a63" x3="-4.91659" y3="-0.28845" z3="0.13252"/>
<atom elementType="C" id="a64" x3="-5.74534" y3="-0.30626" z3="-1.00192"/>
<atom elementType="C" id="a65" x3="-5.5573" y3="-0.35593" z3="1.38054"/>
<atom elementType="C" id="a66" x3="-7.13648" y3="-0.38594" z3="-0.90553"/>
<atom elementType="C" id="a67" x3="-6.94318" y3="-0.43605" z3="1.49801"/>
<atom elementType="C" id="a68" x3="-7.73534" y3="-0.45176" z3="0.35088"/>
<atom elementType="H" id="a69" x3="-4.93414" y3="-0.34322" z3="2.27958"/>
<atom elementType="H" id="a70" x3="-7.74872" y3="-0.3966" z3="-1.80949"/>
<atom elementType="H" id="a71" x3="-7.40431" y3="-0.48644" z3="2.4872"/>
<atom elementType="H" id="a72" x3="-8.82357" y3="-0.51422" z3="0.42547"/>
<atom elementType="Br" id="a73" x3="4.98317" y3="0.22012" z3="-2.74611"/>
<atom elementType="Br" id="a74" x3="0.21866" y3="-4.97966" z3="2.7465"/>
<atom elementType="Br" id="a75" x3="-4.98015" y3="-0.22022" z3="-2.74697"/>
<atom elementType="Br" id="a76" x3="-0.22271" y3="4.98095" z3="2.74638"/>
<atom elementType="Fe" id="a77" x3="0.00011" y3="-0.0001" z3="-0.00041"/>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<list cmlx:templateRef="charge">
<list>
<scalar dataType="xsd:integer" dictRef="g:charge">-2</scalar>
<scalar dataType="xsd:integer" dictRef="g:mult">1</scalar>
</list>
</list>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3891,-2.7047,-.0396;1.4765,-1.3132,.0006;2.8483,-1.0643,.0447;-2.2824,-3.596,-.0382;-3.3053,-2.6867,.0215;-2.7044,-1.3893,.0385;-1.313,-1.4765,-.0016;-1.064,-2.8484,-.0457;2.2828,3.5957,-.0378;3.3055,2.6861,.0219;2.7046,1.3888,.0388;1.3132,1.4762,-.0014;1.0642,2.848,-.0455;-3.5958,2.2825,.038;-2.6863,3.3052,-.0216;-1.3889,2.7044,-.0388;-1.4763,1.313,.0011;-2.8481,1.0639,.0453;3.596,-2.2827,.0374;2.6865,-3.3056,-.0224;.2011,-3.4334,-.0669;-.2009,3.4333,-.0663;-3.4332,-.2012,.066;3.4334,.2009,.0663;-2.3515,-4.6838,-.0657;-4.3779,-2.8808,.0444;2.3505,4.6835,-.0653;4.3782,2.8802,.0447;-4.6837,2.3501,.0658;-2.8804,4.3779,-.0442;4.6837,-2.3518,.0653;2.8807,-4.3782,-.0451;-.288,4.9166,-.1332;-.3542,5.5569,-1.3814;-.307,5.7456,1.0011;-.4349,6.9427,-1.4992;-.3864,7.1368,.9042;-.4506,7.7353,-.3523;-.3406,4.9334,-2.2802;-.4844,7.4035,-2.4886;-.3979,7.7487,1.8084;-.5128,8.8234,-.4283;4.9167,.2881,.1332;5.5558,.3561,1.3822;5.7466,.3059,-1;6.9414,.4373,1.5009;7.1378,.3859,-.9022;7.7351,.4513,.3546;4.9311,.3437,2.2801;7.4014,.4886,2.4906;7.7503,.3971,-1.806;8.8232,.5137,.4317;.2883,-4.9168,-.133;.3054,-5.7453,1.0017;.3566,-5.5578,-1.3808;.3852,-7.1365,.9057;.4377,-6.9436,-1.4979;.4512,-7.7356,-.3506;.3448,-4.9348,-2.2801;.3959,-7.7485,1.8098;.4895,-7.4049,-2.4869;.5134,-8.8239,-.4249;-4.9166,-.2884,.1325;-5.7453,-.3063,-1.0019;-5.5573,-.3559,1.3805;-7.1365,-.3859,-.9055;-6.9432,-.436,1.498;-7.7353,-.4518,.3509;-4.9341,-.3432,2.2796;-7.7487,-.3966,-1.8095;-7.4043,-.4864,2.4872;-8.8236,-.5142,.4255;4.9832,.2201,-2.7461;.2187,-4.9797,2.7465;-4.9802,-.2202,-2.747;-.2227,4.9809,2.7464;.0001,-.0001,-.0004;</scalar>
</formula>
</molecule>
<module dictRef="cc:userDefinedModule" id="otherComponents">
<module cmlx:templateRef="entering" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:string" dictRef="g:link0">g16</scalar>
<array dataType="xsd:string" dictRef="g:command" size="3">/ccc/products/gaussian-16-C.02/system/skylake/g16/l1.exe "/ccc/scratch/cont003/gen12061/vonwolfn/3544985/Gau-529806.inp" -scrdir="/ccc/scratch/cont003/gen12061/vonwolfn/3544985/"</array>
</module>
<module cmlx:templateRef="l1" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l1.end">
<array dataType="xsd:string" dictRef="g:kk" size="1">nproc=24</array>
<array dataType="xsd:string" dictRef="g:kk" size="1">mem=36Gb</array>
<array dataType="xsd:string" dictRef="g:kk" size="1">chk=1Fe.chk</array>
<scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#P M06L/DEF2SVP/W06 EMPIRICALDISPERSION(gd3) scrf=(SMD,solvent=n,n-DiM</scalar>
<list cmlx:templateRef="control">
<scalar dataType="xsd:string" dictRef="g:control">1/8=7,18=20,19=15,26=6,38=1/1,3</scalar>
<scalar dataType="xsd:string" dictRef="g:control">2/9=110,12=2,17=6,18=5,40=1/2</scalar>
<scalar dataType="xsd:string" dictRef="g:control">3/5=43,7=101,11=2,25=1,30=1,70=32201,71=1,72=148,74=-53,75=-5,82=40,124=31/1,2,3</scalar>
<scalar dataType="xsd:string" dictRef="g:control">4//1</scalar>
<scalar dataType="xsd:string" dictRef="g:control">5/5=2,32=2,38=5,53=148/2</scalar>
<scalar dataType="xsd:string" dictRef="g:control">6/7=2,8=2,9=2,10=2,28=1/1</scalar>
<scalar dataType="xsd:string" dictRef="g:control">7//1,2,3,16</scalar>
<scalar dataType="xsd:string" dictRef="g:control">1/8=7,18=20,19=15,26=6/3(2)</scalar>
<scalar dataType="xsd:string" dictRef="g:control">2/9=110/2</scalar>
<scalar dataType="xsd:string" dictRef="g:control">99//99</scalar>
</list>
<list cmlx:templateRef="control">
<scalar dataType="xsd:string" dictRef="g:control">2/9=110/2</scalar>
<scalar dataType="xsd:string" dictRef="g:control">3/5=43,7=101,11=2,25=1,30=1,70=32205,71=1,72=148,74=-53,75=-5,82=40,124=31/1,2,3</scalar>
<scalar dataType="xsd:string" dictRef="g:control">4/5=5,16=3,69=1/1</scalar>
<scalar dataType="xsd:string" dictRef="g:control">5/5=2,32=2,38=5,53=148/2</scalar>
<scalar dataType="xsd:string" dictRef="g:control">7//1,2,3,16</scalar>
<scalar dataType="xsd:string" dictRef="g:control">1/8=7,18=20,19=15,26=6/3(-5)</scalar>
<scalar dataType="xsd:string" dictRef="g:control">2/9=110/2</scalar>
<scalar dataType="xsd:string" dictRef="g:control">6/7=2,8=2,9=2,10=2,19=2,28=1/1</scalar>
<scalar dataType="xsd:string" dictRef="g:control">99/9=1/99</scalar>
</list>
</module>
</module>
<module cmlx:templateRef="l101" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l101.title">
<scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">Porphyrin at formal iron(0) level</scalar>
</module>
<module cmlx:templateRef="l101.isotope2">
<array cmlx:templateRef="atom" dataType="xsd:integer" dictRef="x:x" size="77">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 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77</array>
<array cmlx:templateRef="iatwgt" dataType="xsd:integer" dictRef="x:x" size="77">12 14 12 12 12 12 14 12 12 12 12 14 12 12 12 12 14 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 12 12 12 12 12 12 1 1 1 1 12 12 12 12 12 12 1 1 1 1 12 12 12 12 12 12 1 1 1 1 12 12 12 12 12 12 1 1 1 1 79 79 79 79 56</array>
<array cmlx:templateRef="atmwgt" dataType="xsd:double" dictRef="x:x" size="77">12.0000000 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 78.9183361 78.9183361 78.9183361 78.9183361 55.9349393</array>
<array cmlx:templateRef="nucspn" dataType="xsd:integer" dictRef="x:x" size="77">0 2 0 0 0 0 2 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 1 3 3 3 3 0</array>
<array cmlx:templateRef="atzeff" dataType="xsd:double" dictRef="x:x" size="77">-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 -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 /ccc/products/gaussian-16-C.02/system/skylake/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="88">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 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="88">1 1 1 2 2 3 3 4 4 4 5 5 6 6 7 7 8 9 9 9 10 10 11 11 12 12 13 14 14 14 15 15 16 16 17 17 18 19 19 20 21 22 23 24 33 33 34 34 35 35 36 36 37 37 38 43 43 44 44 45 45 46 46 47 47 48 53 53 54 54 55 55 56 56 57 57 58 63 63 64 64 65 65 66 66 67 67 68</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="88">2 20 21 3 77 19 24 5 8 25 6 26 7 23 8 77 21 10 13 27 11 28 12 24 13 77 22 15 18 29 16 30 17 22 18 77 23 20 31 32 53 33 63 43 34 35 36 39 37 76 38 40 38 41 42 44 45 46 49 47 73 48 50 48 51 52 54 55 56 74 57 59 58 60 58 61 62 64 65 66 75 67 69 68 70 68 71 72</array>
<array dataType="xsd:double" dictRef="cc:distance" size="88">1.3948 1.4299 1.394 1.3949 1.9758 1.4296 1.3941 1.37 1.4295 1.0903 1.4299 1.0903 1.3947 1.3941 1.3949 1.9759 1.394 1.3699 1.4297 1.0903 1.4299 1.0903 1.3948 1.3939 1.3948 1.9758 1.3941 1.3699 1.4297 1.0903 1.4299 1.0903 1.3947 1.394 1.3949 1.9758 1.3941 1.37 1.0903 1.0903 1.4874 1.4874 1.4874 1.4874 1.4044 1.405 1.3931 1.094 1.3968 1.9073 1.3942 1.0925 1.3932 1.0919 1.0926 1.4046 1.4047 1.3931 1.0939 1.3969 1.9077 1.3943 1.0926 1.3932 1.0918 1.0926 1.4051 1.4045 1.3967 1.9074 1.3932 1.094 1.3934 1.0918 1.3942 1.0925 1.0926 1.405 1.4045 1.3968 1.9074 1.3932 1.094 1.3934 1.0918 1.3942 1.0925 1.0926</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="88">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="angle">
<array dataType="xsd:string" dictRef="g:symbol" size="148">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 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="148">2 2 20 1 1 3 2 2 19 5 5 8 4 4 6 5 5 7 6 6 8 4 4 7 10 10 13 9 9 11 10 10 12 11 11 13 9 9 12 15 15 18 14 14 16 15 15 17 16 16 18 14 14 17 3 3 20 1 1 19 1 1 8 13 13 16 6 6 18 3 3 11 22 22 34 33 33 36 33 33 37 34 34 38 35 35 38 36 36 37 24 24 44 43 43 46 43 43 47 44 44 48 45 45 48 46 46 47 21 21 54 53 53 56 53 53 57 54 54 58 55 55 58 56 56 57 23 23 64 63 63 66 63 63 67 64 64 68 65 65 68 66 66 67 2 2 7 12</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="148">1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 33 33 33 34 34 34 35 35 35 36 36 36 37 37 37 38 38 38 43 43 43 44 44 44 45 45 45 46 46 46 47 47 47 48 48 48 53 53 53 54 54 54 55 55 55 56 56 56 57 57 57 58 58 58 63 63 63 64 64 64 65 65 65 66 66 66 67 67 67 68 68 68 77 77 77 77</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="148">20 21 21 3 77 77 19 24 24 8 25 25 6 26 26 7 23 23 8 77 77 7 21 21 13 27 27 11 28 28 12 24 24 13 77 77 12 22 22 18 29 29 16 30 30 17 22 22 18 77 77 17 23 23 20 31 31 19 32 32 8 53 53 16 33 33 18 63 63 11 43 43 34 35 35 36 39 39 37 76 76 38 40 40 38 41 41 37 42 42 44 45 45 46 49 49 47 73 73 48 50 50 48 51 51 47 52 52 54 55 55 56 74 74 57 59 59 58 60 60 58 61 61 57 62 62 64 65 65 66 75 75 67 69 69 68 70 70 68 71 71 67 72 72 7 12 17 17</array>
<array dataType="xsd:double" dictRef="cc:angle" size="148">111.23 125.1331 123.626 103.9163 128.0392 128.0444 111.2283 125.1123 123.6476 106.8224 128.0295 125.1456 106.8001 128.116 125.0821 111.232 123.6257 125.1319 103.915 128.0409 128.0439 111.2281 123.646 125.1137 106.8176 128.1129 125.067 106.8097 128.1117 125.0769 111.2232 123.6241 125.142 103.9244 128.033 128.0424 111.2228 123.644 125.1207 106.8157 128.1142 125.0676 106.8112 128.1118 125.0752 111.2232 123.6262 125.1401 103.9248 128.0348 128.0402 111.2227 123.6432 125.1216 106.8234 125.1448 128.0294 106.7995 125.0838 128.1148 123.6225 118.185 118.1908 123.6114 118.1957 118.1908 123.6167 118.1845 118.1969 123.6185 118.1956 118.184 119.8259 123.5677 116.6064 122.1001 118.019 119.8809 122.1668 120.1058 117.7274 119.7738 119.914 120.3121 119.5421 120.0872 120.3706 119.8107 120.6334 119.5559 119.7778 123.6145 116.6076 122.0844 117.9974 119.9183 122.1856 120.0924 117.7221 119.7836 119.9142 120.3023 119.5268 120.0887 120.3844 119.812 120.6312 119.5568 123.5642 119.8329 116.6029 122.1724 120.0987 117.7289 122.1046 118.0279 119.8675 119.5342 120.1269 120.3389 119.7677 119.922 120.3103 119.8182 119.4908 120.691 123.5667 119.8323 116.6009 122.1731 120.0991 117.7279 122.1065 118.0244 119.8692 119.5368 120.1264 120.3368 119.7682 119.925 120.3068 119.8145 119.4945 120.691 89.9987 90.0004 89.9997 90.0013</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="148">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|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="4">A149 A150 A151 A152</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="4">2 7 2 7</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="4">77 77 77 77</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="4">17 12 17 12</array>
<array dataType="xsd:integer" dictRef="g:atom4" size="4">12 17 12 17</array>
<array dataType="xsd:integer" dictRef="g:atom5" size="4">-1 -1 -2 -2</array>
<scalar dataType="xsd:double" dictRef="g:lll">180.0017</scalar>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="4">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">180.001</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">180.0724</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">180.0646</scalar>
</list>
<list cmlx:templateRef="dihed">
<array dataType="xsd:string" dictRef="g:symbol" size="240">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 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="240">20 20 21 21 2 2 21 21 2 2 20 20 1 1 77 77 1 1 3 3 2 2 24 24 2 2 19 19 8 8 25 25 5 5 25 25 4 4 26 26 5 5 23 23 5 5 7 7 6 6 77 77 6 6 8 8 4 4 7 7 13 13 27 27 10 10 27 27 9 9 28 28 10 10 24 24 10 10 12 12 11 11 77 77 11 11 13 13 9 9 12 12 18 18 29 29 15 15 29 29 14 14 30 30 15 15 22 22 15 15 17 17 16 16 77 77 16 16 18 18 14 14 17 17 3 3 31 31 1 1 8 8 13 13 16 16 6 6 18 18 3 3 11 11 22 22 35 35 22 22 34 34 33 33 39 39 33 33 76 76 34 34 40 40 35 35 41 41 24 24 45 45 24 24 44 44 43 43 49 49 43 43 73 73 44 44 50 50 45 45 51 51 21 21 55 55 21 21 54 54 53 53 74 74 53 53 59 59 54 54 60 60 55 55 61 61 23 23 65 65 23 23 64 64 63 63 75 75 63 63 69 69 64 64 70 70 65 65 71 71</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="240">1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 33 33 33 33 33 33 33 33 34 34 34 34 35 35 35 35 36 36 36 36 37 37 37 37 43 43 43 43 43 43 43 43 44 44 44 44 45 45 45 45 46 46 46 46 47 47 47 47 53 53 53 53 53 53 53 53 54 54 54 54 55 55 55 55 56 56 56 56 57 57 57 57 63 63 63 63 63 63 63 63 64 64 64 64 65 65 65 65 66 66 66 66 67 67 67 67</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="240">2 2 2 2 20 20 20 20 21 21 21 21 3 3 3 3 77 77 77 77 19 19 19 19 24 24 24 24 5 5 5 5 8 8 8 8 6 6 6 6 7 7 7 7 23 23 23 23 8 8 8 8 77 77 77 77 21 21 21 21 10 10 10 10 13 13 13 13 11 11 11 11 12 12 12 12 24 24 24 24 13 13 13 13 77 77 77 77 22 22 22 22 15 15 15 15 18 18 18 18 16 16 16 16 17 17 17 17 22 22 22 22 18 18 18 18 77 77 77 77 23 23 23 23 20 20 20 20 53 53 53 53 33 33 33 33 63 63 63 63 43 43 43 43 34 34 34 34 35 35 35 35 36 36 36 36 37 37 37 37 38 38 38 38 38 38 38 38 44 44 44 44 45 45 45 45 46 46 46 46 47 47 47 47 48 48 48 48 48 48 48 48 54 54 54 54 55 55 55 55 56 56 56 56 57 57 57 57 58 58 58 58 58 58 58 58 64 64 64 64 65 65 65 65 66 66 66 66 67 67 67 67 68 68 68 68 68 68 68 68</array>
<array dataType="xsd:integer" dictRef="g:atom4" size="240">3 77 3 77 19 32 19 32 8 53 8 53 19 24 19 24 7 12 7 12 20 31 20 31 11 43 11 43 6 26 6 26 7 21 7 21 7 23 7 23 8 77 8 77 18 63 18 63 4 21 4 21 2 17 2 17 1 53 1 53 11 28 11 28 12 22 12 22 12 24 12 24 13 77 13 77 3 43 3 43 9 22 9 22 2 17 2 17 16 33 16 33 16 30 16 30 17 23 17 23 17 22 17 22 18 77 18 77 13 33 13 33 14 23 14 23 7 12 7 12 6 63 6 63 1 32 1 32 54 55 54 55 34 35 34 35 64 65 64 65 44 45 44 45 36 39 36 39 37 76 37 76 38 40 38 40 38 41 38 41 37 42 37 42 36 42 36 42 46 49 46 49 47 73 47 73 48 50 48 50 48 51 48 51 47 52 47 52 46 52 46 52 56 74 56 74 57 59 57 59 58 60 58 60 58 61 58 61 57 62 57 62 56 62 56 62 66 75 66 75 67 69 67 69 68 70 68 70 68 71 68 71 67 72 67 72 66 72 66 72</array>
<array dataType="xsd:double" dictRef="cc:dihed" size="240">-0.0772 -179.9497 178.7504 -1.1221 0.3664 179.9007 -178.4821 1.0522 -0.5622 178.9421 178.1254 -2.3704 -0.2345 178.5521 179.638 -1.5754 2.086 -177.8494 -177.7569 2.3077 0.4678 179.9389 -178.3399 1.1312 -0.3488 179.1401 178.2925 -2.2186 0.4855 -179.9903 179.9317 -0.5441 -0.4594 178.3283 -179.926 -1.1383 -0.3726 178.5064 -179.9151 -1.0361 0.0881 179.9669 -178.7706 1.1082 -178.1595 2.3584 0.5629 -178.9192 0.2228 -178.5434 -179.656 1.5778 177.8497 -2.0779 -2.2997 177.7727 -178.2902 2.2056 0.3283 -179.1759 0.4778 -179.9952 179.925 -0.5479 -0.453 178.3122 -179.9216 -1.1564 -0.3658 178.5023 -179.9111 -1.043 0.0853 179.9589 -178.7621 1.1115 -178.1228 2.3882 0.5868 -178.9021 0.2206 -178.5226 -179.6529 1.6039 -2.09 177.8376 177.7542 -2.3182 -178.2727 2.2594 0.32 -179.1478 -0.4828 179.9973 -179.9315 0.5486 0.4563 -178.3154 179.9264 1.1547 0.371 -178.5029 179.9095 1.0356 -0.0883 -179.9588 178.765 -1.1056 178.1406 -2.3916 -0.5757 178.8922 -0.2208 178.529 179.6497 -1.6005 -177.8509 2.0845 2.3086 -177.756 178.2898 -2.2282 -0.3103 179.1718 -0.4868 179.9976 -179.9377 0.5466 91.6326 -88.4657 -88.8358 91.066 90.9353 -88.957 -88.5619 91.5458 -91.5961 88.5145 88.8932 -90.9962 -91.0441 88.8611 88.473 -91.6218 -179.903 0.0768 -0.0034 179.9765 179.8458 -0.135 -0.0496 179.9695 0.0463 179.9836 -179.9332 0.0041 0.0592 -179.9447 -179.9595 0.0366 -0.0369 179.9529 -179.9739 0.0158 -0.0144 179.9958 179.9895 -0.0003 179.9169 -0.0798 0.0052 -179.9916 -179.8682 0.1595 0.0398 -179.9326 -0.0672 179.9918 179.9294 -0.0116 -0.0223 179.9911 179.9507 -0.0359 0.0847 -179.9435 -179.9745 -0.0027 -0.0411 179.9868 179.9454 -0.0267 179.8641 -0.1483 -0.0405 179.9471 -179.9181 0.0817 -0.0097 179.9901 0.0276 -179.9826 -179.9603 0.0295 0.0724 -179.9874 -179.9274 0.0128 0.0364 -179.9884 -179.9534 0.0218 -0.085 179.94 179.9749 0.0 -179.8545 0.1415 0.0382 -179.9658 179.8682 -0.0744 -0.0287 -179.9714 -0.0605 179.9479 179.9433 -0.0482 0.0419 -179.9701 179.9835 -0.0285 0.0715 -179.9907 -179.9369 0.0008 -0.0626 -179.9996 179.9494 0.0125</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="240">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|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|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>
</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">1016</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">951</array>
<array dataType="xsd:string" dictRef="cc:symm" size="1">A</array>
</list>
<scalar dataType="xsd:integer" dictRef="g:primbasis">1769</scalar>
<scalar dataType="xsd:integer" dictRef="cc:cartesianbasis">1016</scalar>
<scalar dataType="xsd:double" dictRef="cc:nucrepener">10826.7314617864</scalar>
<scalar dataType="xsd:integer" dictRef="cc:uniqatoms">77</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">T</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=131</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 88 out of a maximum of 462</array>
<array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="7">All quantities printed in internal units (Hartrees-Bohrs-Radians)</array>
<list cmlx:templateRef="iterationList">
<array dataType="xsd:integer" dictRef="cc:serial" size="2">1 2</array>
<array dataType="xsd:double" dictRef="g:rmscart" size="2">0.00037380 0.00000005</array>
<array dataType="xsd:double" dictRef="g:rmsint" size="2">0.00000002 0.00000000</array>
</list>
</module>
<module cmlx:templateRef="l103.deltas">
<list cmlx:templateRef="delta">
<array dataType="xsd:string" dictRef="cc:variable" size="480">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 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 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 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 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 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240</array>
<array dataType="xsd:double" dictRef="g:lastval" size="480">2.63573 2.70216 2.63439 2.63601 3.73383 2.70154 2.63440 2.58889 2.70152 2.06045 2.70209 2.06034 2.63566 2.63449 2.63605 3.73393 2.63435 2.58872 2.70185 2.06041 2.70205 2.06040 2.63568 2.63414 2.63586 3.73378 2.63455 2.58877 2.70188 2.06041 2.70209 2.06039 2.63565 2.63440 2.63595 3.73385 2.63448 2.58891 2.06045 2.06034 2.81058 2.81060 2.81057 2.81053 2.65397 2.65481 2.63260 2.06729 2.63960 3.60435 2.63473 2.06461 2.63276 2.06326 2.06465 2.65435 2.65428 2.63250 2.06724 2.63970 3.60499 2.63488 2.06465 2.63274 2.06324 2.06465 2.65489 2.65402 2.63942 3.60448 2.63265 2.06730 2.63311 2.06323 2.63458 2.06462 2.06466 2.65483 2.65408 2.63947 3.60448 2.63268 2.06730 2.63315 2.06323 2.63464 2.06462 2.06465 1.94135 2.18395 2.15769 1.81368 2.23471 2.23479 1.94129 2.18361 2.15808 1.86439 2.23454 2.18421 1.86401 2.23605 2.18309 1.94138 2.15769 2.18393 1.81366 2.23474 2.23478 1.94129 2.15805 2.18363 1.86432 2.23596 2.18286 1.86416 2.23599 2.18300 1.94125 2.15764 2.18411 1.81381 2.23461 2.23477 1.94119 2.15803 2.18374 1.86428 2.23598 2.18288 1.86419 2.23598 2.18298 1.94125 2.15768 2.18407 1.81382 2.23464 2.23473 1.94119 2.15801 2.18376 1.86441 2.18419 2.23454 1.86400 2.18312 2.23603 2.15766 2.06260 2.06290 2.15747 2.06299 2.06269 2.15756 2.06259 2.06300 2.15760 2.06299 2.06256 2.09142 2.15654 2.03523 2.13103 2.05979 2.09237 2.13224 2.09607 2.05488 2.09043 2.09290 2.09985 2.08640 2.09587 2.10092 2.09105 2.10549 2.08665 2.09063 2.15730 2.03526 2.13076 2.05942 2.09300 2.13255 2.09582 2.05481 2.09059 2.09291 2.09969 2.08614 2.09589 2.10115 2.09107 2.10545 2.08667 2.15649 2.09153 2.03517 2.13233 2.09598 2.05488 2.13111 2.05994 2.09214 2.08627 2.09654 2.10037 2.09033 2.09304 2.09982 2.09117 2.08555 2.10647 2.15652 2.09152 2.03514 2.13234 2.09597 2.05487 2.13114 2.05988 2.09216 2.08631 2.09653 2.10034 2.09033 2.09309 2.09976 2.09110 2.08561 2.10647 1.57078 1.57079 1.57080 1.57082 3.14161 3.14162 3.14294 3.14280 -0.00126 -3.14061 3.11989 -0.01946 0.00635 3.13979 -3.11517 0.01827 -0.00992 3.12296 3.10879 -0.04151 -0.00419 3.11623 3.13516 -0.02761 0.03637 -3.10401 -3.10245 0.04035 0.00823 3.14058 -3.11255 0.01980 -0.00606 3.12656 3.11181 -0.03875 0.00848 -3.14144 3.14039 -0.00953 -0.00808 3.11235 -3.14035 -0.01992 -0.00646 3.11559 -3.14004 -0.01799 0.00145 3.14091 -3.12024 0.01922 -3.10938 0.04130 0.00994 -3.12257 0.00398 -3.11608 -3.13547 0.02765 3.10401 -0.03623 -0.04022 3.10272 -3.11177 0.03854 0.00571 -3.12717 0.00835 -3.14153 3.14028 -0.00960 -0.00797 3.11208 -3.14028 -0.02023 -0.00634 3.11551 -3.13996 -0.01811 0.00140 3.14076 -3.12008 0.01928 -3.10874 0.04182 0.01034 -3.12228 0.00394 -3.11572 -3.13542 0.02810 -0.03644 3.10381 3.10240 -0.04054 -3.11146 0.03946 0.00558 -3.12668 -0.00844 3.14156 -3.14039 0.00961 0.00803 -3.11213 3.14036 0.02020 0.00643 -3.11553 3.13994 0.01798 -0.00146 -3.14077 3.12014 -0.01917 3.10905 -0.04187 -0.01016 3.12210 -0.00394 3.11583 3.13537 -0.02804 -3.10403 0.03635 0.04037 -3.10244 3.11175 -0.03893 -0.00541 3.12710 -0.00851 3.14157 -3.14050 0.00957 1.59940 -1.54384 -1.55042 1.58952 1.58726 -1.55251 -1.54551 1.59790 -1.59877 1.54469 1.55141 -1.58831 -1.58918 1.55082 1.54394 -1.59925 -3.13996 0.00133 -0.00006 3.14122 3.13895 -0.00232 -0.00088 3.14104 0.00082 3.14133 -3.14045 0.00005 0.00104 -3.14062 -3.14087 0.00065 -0.00066 3.14077 -3.14116 0.00027 -0.00024 3.14151 3.14142 -0.00001 3.14019 -0.00138 0.00008 -3.14149 -3.13933 0.00276 0.00072 -3.14038 -0.00118 3.14144 3.14038 -0.00018 -0.00041 3.14142 3.14070 -0.00065 0.00149 -3.14061 -3.14113 -0.00005 -0.00072 3.14138 3.14064 -0.00045 3.13926 -0.00255 -0.00072 3.14065 -3.14022 0.00141 -0.00017 3.14146 0.00050 -3.14127 -3.14088 0.00053 0.00127 -3.14136 -3.14035 0.00020 0.00063 -3.14140 -3.14078 0.00037 -0.00149 3.14055 3.14114 -0.00000 -3.13910 0.00243 0.00068 -3.14098 3.13936 -0.00128 -0.00049 -3.14113 -0.00106 3.14068 3.14059 -0.00085 0.00069 -3.14110 3.14132 -0.00047 0.00123 -3.14142 -3.14052 0.00002 -0.00105 -3.14157 3.14074 0.00022</array>
<array dataType="xsd:double" dictRef="cc:deriv" size="480">0.00007 -0.00004 0.00004 -0.00006 0.00007 0.00009 -0.00007 0.00021 0.00011 -0.00002 -0.00002 0.00000 0.00009 0.00001 -0.00007 0.00005 -0.00004 0.00025 0.00003 -0.00000 0.00002 -0.00001 0.00009 0.00015 -0.00002 0.00007 -0.00014 0.00022 0.00003 -0.00001 -0.00002 -0.00001 0.00008 0.00003 -0.00006 0.00005 -0.00011 0.00019 -0.00001 0.00000 -0.00007 -0.00008 -0.00008 -0.00005 -0.00002 0.00004 0.00002 -0.00001 -0.00007 0.00013 0.00002 0.00001 -0.00002 -0.00007 0.00002 -0.00010 0.00016 0.00003 0.00000 -0.00011 0.00004 -0.00003 0.00000 -0.00003 -0.00007 0.00002 0.00003 -0.00007 -0.00004 0.00012 0.00002 -0.00001 -0.00013 -0.00006 0.00004 0.00001 0.00002 0.00004 -0.00009 -0.00006 0.00012 -0.00001 -0.00001 -0.00015 -0.00006 0.00002 0.00001 0.00002 0.00001 -0.00000 -0.00001 0.00003 -0.00005 0.00001 0.00001 0.00002 -0.00003 -0.00004 0.00006 -0.00002 -0.00002 -0.00004 0.00005 0.00000 -0.00001 0.00000 0.00005 -0.00006 0.00001 0.00000 -0.00002 0.00001 -0.00003 -0.00008 0.00011 -0.00005 -0.00002 0.00007 0.00003 0.00001 -0.00004 0.00000 -0.00003 0.00002 0.00004 -0.00003 -0.00001 -0.00002 -0.00008 0.00010 -0.00006 -0.00001 0.00007 0.00004 -0.00002 -0.00002 0.00000 -0.00003 0.00003 0.00004 -0.00002 -0.00001 -0.00005 -0.00002 0.00007 -0.00001 0.00005 -0.00004 0.00002 0.00004 -0.00007 0.00006 -0.00010 0.00004 0.00004 0.00005 -0.00009 0.00003 -0.00010 0.00007 -0.00003 -0.00002 0.00006 -0.00004 0.00000 0.00004 -0.00005 0.00002 0.00003 -0.00001 0.00004 -0.00003 0.00003 -0.00002 -0.00001 0.00001 0.00004 -0.00005 0.00011 -0.00015 0.00004 0.00001 0.00003 -0.00004 -0.00010 0.00005 0.00004 -0.00003 0.00005 -0.00002 0.00007 -0.00003 -0.00004 0.00002 0.00003 -0.00005 -0.00000 -0.00006 0.00006 -0.00007 0.00005 0.00002 -0.00005 -0.00002 0.00006 0.00007 -0.00010 0.00003 0.00001 0.00002 -0.00003 -0.00001 0.00007 -0.00006 -0.00001 -0.00005 0.00007 -0.00007 0.00005 0.00002 -0.00006 -0.00001 0.00006 0.00005 -0.00009 0.00004 0.00001 0.00001 -0.00002 0.00000 0.00006 -0.00006 0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00002 0.00003 0.00004 0.00007 0.00007 0.00004 0.00003 -0.00011 -0.00007 -0.00007 -0.00003 0.00006 0.00006 0.00002 0.00003 -0.00002 -0.00003 -0.00001 -0.00003 -0.00007 -0.00003 -0.00008 -0.00004 -0.00005 -0.00000 -0.00003 0.00001 0.00009 0.00010 0.00008 0.00009 -0.00009 -0.00005 -0.00004 0.00000 0.00004 0.00004 -0.00001 -0.00001 0.00011 0.00007 0.00007 0.00003 -0.00008 -0.00007 -0.00004 -0.00003 -0.00001 -0.00002 -0.00006 -0.00007 0.00002 0.00003 0.00002 0.00002 0.00004 0.00007 0.00004 0.00008 -0.00008 -0.00009 -0.00009 -0.00009 -0.00008 -0.00005 -0.00003 0.00000 0.00004 0.00004 -0.00001 -0.00001 0.00010 0.00006 0.00007 0.00003 -0.00007 -0.00007 -0.00004 -0.00003 -0.00002 -0.00003 -0.00007 -0.00007 0.00002 0.00003 0.00002 0.00002 0.00007 0.00004 0.00008 0.00005 -0.00009 -0.00010 -0.00009 -0.00010 0.00009 0.00005 0.00004 -0.00000 -0.00004 -0.00004 0.00000 0.00001 -0.00011 -0.00007 -0.00007 -0.00003 0.00008 0.00007 0.00004 0.00003 0.00002 0.00004 0.00006 0.00008 -0.00002 -0.00003 -0.00002 -0.00002 -0.00003 -0.00007 -0.00004 -0.00008 0.00008 0.00009 0.00009 0.00010 0.00009 0.00005 0.00004 -0.00000 0.00001 0.00003 0.00001 0.00003 0.00004 0.00002 0.00003 0.00001 -0.00000 -0.00003 -0.00001 -0.00004 -0.00004 -0.00002 -0.00003 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00004 0.00004 0.00002 0.00002 -0.00002 -0.00000 -0.00002 -0.00001 -0.00003 -0.00002 -0.00003 -0.00002 0.00000 0.00001 -0.00001 -0.00000 0.00002 0.00001 0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00003 -0.00004 -0.00001 -0.00003 0.00003 0.00001 0.00002 0.00001 0.00002 0.00000 0.00003 0.00002 -0.00003 -0.00002 -0.00001 0.00000 0.00000 -0.00000 0.00002 0.00001 0.00003 0.00003 0.00001 0.00002 -0.00001 -0.00001 0.00001 0.00001 -0.00002 -0.00001 -0.00002 -0.00001 -0.00003 -0.00001 -0.00003 -0.00001 -0.00000 0.00000 -0.00001 -0.00001 0.00003 0.00002 0.00001 0.00000 -0.00004 -0.00004 -0.00001 -0.00001 0.00003 0.00001 0.00001 -0.00001 0.00004 0.00002 0.00004 0.00002 -0.00003 -0.00000 -0.00000 0.00002 -0.00005 -0.00001 -0.00004 0.00000 0.00005 0.00001 0.00003 -0.00001</array>
<array dataType="xsd:double" dictRef="cc:delta.linear" size="480">0.00003 0.00002 -0.00001 -0.00002 -0.00008 -0.00004 -0.00008 0.00007 -0.00004 0.00000 0.00001 -0.00000 0.00003 -0.00002 -0.00002 -0.00008 -0.00009 0.00006 -0.00004 0.00001 0.00003 -0.00000 0.00003 0.00003 -0.00002 -0.00008 -0.00015 0.00006 -0.00003 0.00000 0.00001 0.00000 0.00002 -0.00004 -0.00003 -0.00008 -0.00011 0.00006 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00007 0.00004 0.00002 0.00003 -0.00003 0.00006 -0.00001 0.00005 0.00004 -0.00001 0.00001 -0.00011 0.00002 0.00001 0.00002 -0.00003 0.00004 -0.00001 0.00001 0.00004 -0.00001 -0.00009 -0.00004 -0.00000 -0.00003 0.00000 0.00001 -0.00004 0.00004 0.00003 -0.00001 -0.00001 -0.00009 -0.00003 -0.00000 -0.00003 0.00000 0.00001 -0.00001 0.00004 0.00003 -0.00001 -0.00001 0.00000 -0.00002 0.00002 -0.00001 -0.00000 0.00002 0.00004 -0.00001 -0.00003 -0.00001 0.00002 -0.00001 -0.00002 -0.00000 0.00002 0.00000 0.00002 -0.00002 -0.00001 -0.00000 0.00002 0.00003 -0.00003 -0.00001 -0.00001 0.00004 -0.00002 -0.00001 -0.00001 0.00002 -0.00001 0.00004 -0.00002 -0.00001 -0.00000 0.00001 0.00004 -0.00005 0.00001 -0.00001 0.00004 -0.00002 -0.00001 -0.00001 0.00002 0.00000 0.00002 -0.00002 -0.00001 -0.00001 0.00001 0.00003 -0.00003 -0.00000 -0.00001 -0.00001 0.00002 -0.00002 0.00002 -0.00001 0.00002 0.00015 -0.00017 0.00002 -0.00017 0.00016 0.00002 0.00015 -0.00017 0.00001 -0.00017 0.00016 0.00012 -0.00017 0.00006 -0.00002 0.00005 -0.00003 0.00000 -0.00006 0.00006 -0.00003 0.00001 0.00002 -0.00002 0.00006 -0.00003 0.00002 -0.00001 -0.00000 0.00009 -0.00015 0.00005 -0.00003 0.00005 -0.00002 0.00001 -0.00007 0.00005 -0.00002 0.00001 0.00001 -0.00003 0.00006 -0.00003 0.00002 -0.00001 -0.00001 -0.00019 0.00014 0.00006 0.00000 -0.00010 0.00009 -0.00003 0.00006 -0.00002 -0.00003 0.00007 -0.00004 -0.00002 0.00001 0.00001 0.00003 -0.00002 -0.00001 -0.00018 0.00013 0.00005 0.00000 -0.00008 0.00008 -0.00003 0.00005 -0.00003 -0.00003 0.00007 -0.00004 -0.00002 0.00001 0.00001 0.00002 -0.00002 -0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00001 -0.00006 -0.00006 -0.00005 -0.00003 -0.00006 -0.00004 0.00002 0.00002 0.00003 0.00003 0.00002 0.00005 0.00001 0.00004 0.00006 0.00006 0.00005 0.00004 0.00002 -0.00004 0.00004 -0.00002 -0.00005 -0.00003 -0.00005 -0.00003 -0.00002 0.00000 -0.00002 -0.00000 -0.00002 -0.00002 0.00000 0.00000 0.00005 0.00005 0.00003 0.00003 -0.00002 -0.00003 -0.00002 -0.00003 0.00005 0.00003 0.00006 0.00004 -0.00002 -0.00004 -0.00003 -0.00005 -0.00006 -0.00006 -0.00005 -0.00004 0.00004 -0.00002 0.00002 -0.00004 0.00003 0.00000 0.00002 -0.00000 -0.00002 -0.00002 0.00000 0.00000 0.00005 0.00005 0.00003 0.00003 -0.00002 -0.00002 -0.00002 -0.00003 0.00005 0.00004 0.00005 0.00004 -0.00002 -0.00004 -0.00002 -0.00004 -0.00006 -0.00006 -0.00005 -0.00004 -0.00002 0.00004 -0.00003 0.00002 0.00002 0.00000 0.00002 -0.00001 0.00002 0.00002 -0.00000 -0.00000 -0.00006 -0.00005 -0.00003 -0.00003 0.00002 0.00003 0.00002 0.00003 -0.00005 -0.00003 -0.00006 -0.00004 0.00002 0.00004 0.00003 0.00005 0.00006 0.00006 0.00005 0.00004 -0.00004 0.00002 -0.00002 0.00004 -0.00002 -0.00000 -0.00002 0.00000 0.00002 0.00002 -0.00000 -0.00000 -0.00002 -0.00004 -0.00000 -0.00002 -0.00003 -0.00002 -0.00005 -0.00004 0.00003 0.00005 0.00001 0.00003 0.00001 -0.00001 0.00003 0.00001 0.00002 -0.00001 0.00001 -0.00003 -0.00001 -0.00002 0.00001 -0.00000 -0.00003 -0.00002 0.00001 0.00002 -0.00001 -0.00002 0.00000 -0.00001 0.00003 0.00001 0.00002 -0.00000 -0.00001 0.00001 0.00000 0.00002 -0.00002 0.00001 -0.00001 0.00003 0.00000 0.00002 -0.00001 -0.00000 0.00003 0.00002 -0.00001 -0.00002 0.00001 0.00002 0.00000 0.00001 -0.00003 -0.00001 -0.00002 0.00000 0.00001 -0.00001 -0.00000 -0.00002 -0.00000 -0.00002 0.00001 -0.00000 0.00002 -0.00001 0.00001 -0.00003 -0.00001 -0.00002 -0.00000 -0.00001 -0.00003 -0.00002 0.00001 0.00002 -0.00001 0.00001 0.00000 0.00002 0.00003 0.00001 0.00002 -0.00000 0.00000 0.00002 -0.00001 0.00000 -0.00003 0.00001 -0.00001 0.00003 0.00001 0.00002 0.00000 0.00001 0.00003 0.00002 -0.00001 -0.00002 0.00001 -0.00001 0.00000 -0.00002 -0.00003 -0.00001 -0.00002 0.00000</array>
<array dataType="xsd:double" dictRef="cc:delta.quad" size="480">0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
<array dataType="xsd:double" dictRef="cc:delta.total" size="480">0.00003 0.00002 -0.00001 -0.00002 -0.00008 -0.00004 -0.00008 0.00007 -0.00004 0.00000 0.00001 -0.00000 0.00003 -0.00002 -0.00002 -0.00008 -0.00009 0.00006 -0.00004 0.00001 0.00003 -0.00000 0.00003 0.00003 -0.00002 -0.00008 -0.00015 0.00006 -0.00003 0.00000 0.00001 0.00000 0.00002 -0.00004 -0.00003 -0.00008 -0.00011 0.00006 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00007 0.00004 0.00002 0.00003 -0.00003 0.00006 -0.00001 0.00005 0.00004 -0.00001 0.00001 -0.00011 0.00002 0.00001 0.00002 -0.00003 0.00004 -0.00001 0.00001 0.00004 -0.00001 -0.00009 -0.00004 -0.00000 -0.00003 0.00000 0.00001 -0.00004 0.00004 0.00003 -0.00001 -0.00001 -0.00009 -0.00003 -0.00000 -0.00003 0.00000 0.00001 -0.00001 0.00004 0.00003 -0.00001 -0.00001 0.00000 -0.00002 0.00002 -0.00001 -0.00000 0.00002 0.00004 -0.00001 -0.00003 -0.00001 0.00002 -0.00001 -0.00002 -0.00000 0.00002 0.00000 0.00002 -0.00002 -0.00001 -0.00000 0.00002 0.00003 -0.00003 -0.00001 -0.00001 0.00004 -0.00002 -0.00001 -0.00001 0.00002 -0.00001 0.00004 -0.00002 -0.00001 -0.00000 0.00001 0.00004 -0.00005 0.00001 -0.00001 0.00004 -0.00002 -0.00001 -0.00001 0.00002 0.00000 0.00002 -0.00002 -0.00001 -0.00001 0.00001 0.00003 -0.00003 -0.00000 -0.00001 -0.00001 0.00002 -0.00002 0.00002 -0.00001 0.00002 0.00015 -0.00017 0.00002 -0.00017 0.00016 0.00002 0.00015 -0.00017 0.00001 -0.00017 0.00016 0.00012 -0.00017 0.00006 -0.00002 0.00005 -0.00003 0.00000 -0.00006 0.00006 -0.00003 0.00001 0.00002 -0.00002 0.00006 -0.00003 0.00002 -0.00001 -0.00000 0.00009 -0.00015 0.00005 -0.00003 0.00005 -0.00002 0.00001 -0.00007 0.00005 -0.00002 0.00001 0.00001 -0.00003 0.00006 -0.00003 0.00002 -0.00001 -0.00001 -0.00019 0.00014 0.00006 0.00000 -0.00010 0.00009 -0.00003 0.00006 -0.00002 -0.00003 0.00007 -0.00004 -0.00002 0.00001 0.00001 0.00003 -0.00002 -0.00001 -0.00018 0.00013 0.00005 0.00000 -0.00008 0.00008 -0.00003 0.00005 -0.00003 -0.00003 0.00007 -0.00004 -0.00002 0.00001 0.00001 0.00002 -0.00002 -0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00001 -0.00006 -0.00006 -0.00005 -0.00003 -0.00006 -0.00004 0.00002 0.00002 0.00003 0.00003 0.00002 0.00005 0.00001 0.00004 0.00006 0.00006 0.00005 0.00004 0.00002 -0.00004 0.00004 -0.00002 -0.00005 -0.00003 -0.00005 -0.00003 -0.00002 0.00000 -0.00002 -0.00000 -0.00002 -0.00002 0.00000 0.00000 0.00005 0.00005 0.00003 0.00003 -0.00002 -0.00003 -0.00002 -0.00003 0.00005 0.00003 0.00006 0.00004 -0.00002 -0.00004 -0.00003 -0.00005 -0.00006 -0.00006 -0.00005 -0.00004 0.00004 -0.00002 0.00002 -0.00004 0.00003 0.00000 0.00002 -0.00000 -0.00002 -0.00002 0.00000 0.00000 0.00005 0.00005 0.00003 0.00003 -0.00002 -0.00002 -0.00002 -0.00003 0.00005 0.00004 0.00005 0.00004 -0.00002 -0.00004 -0.00002 -0.00004 -0.00006 -0.00006 -0.00005 -0.00004 -0.00002 0.00004 -0.00003 0.00002 0.00002 0.00000 0.00002 -0.00001 0.00002 0.00002 -0.00000 -0.00000 -0.00006 -0.00005 -0.00003 -0.00003 0.00002 0.00003 0.00002 0.00003 -0.00005 -0.00003 -0.00006 -0.00004 0.00002 0.00004 0.00003 0.00005 0.00006 0.00006 0.00005 0.00004 -0.00004 0.00002 -0.00002 0.00004 -0.00002 -0.00000 -0.00002 0.00000 0.00002 0.00002 -0.00000 -0.00000 -0.00002 -0.00004 -0.00000 -0.00002 -0.00003 -0.00002 -0.00005 -0.00004 0.00003 0.00005 0.00001 0.00003 0.00001 -0.00001 0.00003 0.00001 0.00002 -0.00001 0.00001 -0.00003 -0.00001 -0.00002 0.00001 -0.00000 -0.00003 -0.00002 0.00001 0.00002 -0.00001 -0.00002 0.00000 -0.00001 0.00003 0.00001 0.00002 -0.00000 -0.00001 0.00001 0.00000 0.00002 -0.00002 0.00001 -0.00001 0.00003 0.00000 0.00002 -0.00001 -0.00000 0.00003 0.00002 -0.00001 -0.00002 0.00001 0.00002 0.00000 0.00001 -0.00003 -0.00001 -0.00002 0.00000 0.00001 -0.00001 -0.00000 -0.00002 -0.00000 -0.00002 0.00001 -0.00000 0.00002 -0.00001 0.00001 -0.00003 -0.00001 -0.00002 -0.00000 -0.00001 -0.00003 -0.00002 0.00001 0.00002 -0.00001 0.00001 0.00000 0.00002 0.00003 0.00001 0.00002 -0.00000 0.00000 0.00002 -0.00001 0.00000 -0.00003 0.00001 -0.00001 0.00003 0.00001 0.00002 0.00000 0.00001 0.00003 0.00002 -0.00001 -0.00002 0.00001 -0.00001 0.00000 -0.00002 -0.00003 -0.00001 -0.00002 0.00000</array>
<array dataType="xsd:double" dictRef="cc:newval" size="480">2.63576 2.70219 2.63438 2.63600 3.73375 2.70151 2.63433 2.58895 2.70148 2.06045 2.70211 2.06034 2.63568 2.63447 2.63603 3.73385 2.63426 2.58878 2.70181 2.06041 2.70209 2.06040 2.63571 2.63417 2.63584 3.73370 2.63440 2.58883 2.70186 2.06041 2.70211 2.06040 2.63568 2.63436 2.63592 3.73377 2.63437 2.58897 2.06045 2.06034 2.81057 2.81060 2.81057 2.81055 2.65398 2.65473 2.63264 2.06730 2.63963 3.60432 2.63478 2.06461 2.63281 2.06330 2.06464 2.65436 2.65417 2.63252 2.06725 2.63972 3.60496 2.63492 2.06465 2.63276 2.06328 2.06464 2.65479 2.65398 2.63942 3.60445 2.63266 2.06731 2.63308 2.06326 2.63460 2.06461 2.06465 2.65475 2.65405 2.63947 3.60445 2.63268 2.06731 2.63314 2.06327 2.63466 2.06461 2.06464 1.94135 2.18393 2.15771 1.81367 2.23471 2.23481 1.94133 2.18360 2.15805 1.86439 2.23456 2.18420 1.86399 2.23605 2.18311 1.94139 2.15771 2.18391 1.81365 2.23474 2.23480 1.94132 2.15802 2.18362 1.86430 2.23600 2.18284 1.86416 2.23597 2.18302 1.94124 2.15767 2.18409 1.81380 2.23460 2.23477 1.94123 2.15798 2.18375 1.86427 2.23602 2.18285 1.86418 2.23598 2.18300 1.94125 2.15770 2.18406 1.81381 2.23463 2.23474 1.94123 2.15798 2.18376 1.86440 2.18418 2.23456 1.86398 2.18314 2.23603 2.15767 2.06275 2.06273 2.15748 2.06282 2.06285 2.15757 2.06274 2.06284 2.15761 2.06282 2.06273 2.09154 2.15636 2.03528 2.13100 2.05984 2.09234 2.13224 2.09601 2.05494 2.09041 2.09291 2.09987 2.08638 2.09592 2.10088 2.09106 2.10547 2.08665 2.09072 2.15715 2.03531 2.13073 2.05947 2.09299 2.13257 2.09576 2.05486 2.09057 2.09291 2.09970 2.08611 2.09595 2.10112 2.09108 2.10544 2.08667 2.15629 2.09167 2.03522 2.13233 2.09588 2.05497 2.13108 2.06000 2.09211 2.08624 2.09661 2.10034 2.09030 2.09305 2.09983 2.09119 2.08553 2.10646 2.15634 2.09165 2.03519 2.13234 2.09589 2.05495 2.13111 2.05993 2.09214 2.08628 2.09660 2.10030 2.09031 2.09310 2.09978 2.09113 2.08559 2.10646 1.57078 1.57080 1.57080 1.57081 3.14161 3.14161 3.14288 3.14274 -0.00131 -3.14064 3.11983 -0.01950 0.00637 3.13980 -3.11514 0.01830 -0.00990 3.12301 3.10880 -0.04148 -0.00412 3.11629 3.13521 -0.02757 0.03639 -3.10405 -3.10241 0.04033 0.00818 3.14055 -3.11260 0.01977 -0.00608 3.12656 3.11179 -0.03875 0.00846 -3.14146 3.14040 -0.00953 -0.00803 3.11240 -3.14032 -0.01989 -0.00647 3.11556 -3.14006 -0.01802 0.00150 3.14094 -3.12018 0.01926 -3.10939 0.04127 0.00991 -3.12262 0.00392 -3.11614 -3.13552 0.02761 3.10405 -0.03625 -0.04019 3.10269 -3.11174 0.03854 0.00573 -3.12717 0.00833 -3.14155 3.14028 -0.00959 -0.00792 3.11213 -3.14024 -0.02020 -0.00635 3.11549 -3.13998 -0.01814 0.00145 3.14080 -3.12003 0.01932 -3.10876 0.04178 0.01032 -3.12233 0.00388 -3.11578 -3.13547 0.02806 -0.03646 3.10385 3.10237 -0.04051 -3.11144 0.03946 0.00559 -3.12669 -0.00841 3.14158 -3.14039 0.00960 0.00797 -3.11218 3.14033 0.02017 0.00645 -3.11550 3.13996 0.01801 -0.00151 -3.14081 3.12008 -0.01922 3.10907 -0.04183 -0.01013 3.12215 -0.00388 3.11589 3.13542 -0.02800 -3.10407 0.03637 0.04035 -3.10240 3.11173 -0.03893 -0.00543 3.12710 -0.00848 3.14159 -3.14050 0.00957 1.59938 -1.54388 -1.55042 1.58950 1.58723 -1.55253 -1.54556 1.59786 -1.59874 1.54474 1.55142 -1.58829 -1.58918 1.55081 1.54396 -1.59924 -3.13993 0.00131 -0.00005 3.14120 3.13895 -0.00233 -0.00087 3.14104 0.00080 3.14131 -3.14044 0.00007 0.00103 -3.14064 -3.14087 0.00064 -0.00064 3.14077 -3.14114 0.00027 -0.00025 3.14152 3.14142 0.00001 3.14017 -0.00137 0.00008 -3.14146 -3.13933 0.00277 0.00070 -3.14038 -0.00116 3.14146 3.14038 -0.00019 -0.00039 3.14145 3.14071 -0.00064 0.00147 -3.14061 -3.14115 -0.00005 -0.00071 3.14136 3.14063 -0.00048 3.13926 -0.00256 -0.00071 3.14065 -3.14019 0.00140 -0.00016 3.14143 0.00048 -3.14130 -3.14088 0.00052 0.00125 -3.14138 -3.14034 0.00022 0.00063 -3.14139 -3.14078 0.00039 -0.00147 3.14055 3.14116 -0.00000 -3.13910 0.00245 0.00067 -3.14098 3.13933 -0.00127 -0.00050 -3.14111 -0.00105 3.14070 3.14059 -0.00084 0.00073 -3.14108 3.14131 -0.00049 0.00124 -3.14144 -3.14052 -0.00000 -0.00108 -3.14158 3.14072 0.00022</array>
</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">0.000247 0.000053 0.001669 0.000374</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">-2.810166e-05</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="88">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 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="88">1 1 1 2 2 3 3 4 4 4 5 5 6 6 7 7 8 9 9 9 10 10 11 11 12 12 13 14 14 14 15 15 16 16 17 17 18 19 19 20 21 22 23 24 33 33 34 34 35 35 36 36 37 37 38 43 43 44 44 45 45 46 46 47 47 48 53 53 54 54 55 55 56 56 57 57 58 63 63 64 64 65 65 66 66 67 67 68</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="88">2 20 21 3 77 19 24 5 8 25 6 26 7 23 8 77 21 10 13 27 11 28 12 24 13 77 22 15 18 29 16 30 17 22 18 77 23 20 31 32 53 33 63 43 34 35 36 39 37 76 38 40 38 41 42 44 45 46 49 47 73 48 50 48 51 52 54 55 56 74 57 59 58 60 58 61 62 64 65 66 75 67 69 68 70 68 71 72</array>
<array dataType="xsd:double" dictRef="cc:distance" size="88">1.3948 1.4299 1.3941 1.3949 1.9759 1.4296 1.3941 1.37 1.4296 1.0903 1.4299 1.0903 1.3947 1.3941 1.3949 1.9759 1.394 1.3699 1.4298 1.0903 1.4299 1.0903 1.3947 1.3939 1.3948 1.9758 1.3941 1.3699 1.4298 1.0903 1.4299 1.0903 1.3947 1.3941 1.3949 1.9759 1.3941 1.37 1.0903 1.0903 1.4873 1.4873 1.4873 1.4873 1.4044 1.4049 1.3931 1.094 1.3968 1.9073 1.3942 1.0925 1.3932 1.0918 1.0926 1.4046 1.4046 1.3931 1.0939 1.3969 1.9077 1.3943 1.0926 1.3932 1.0918 1.0926 1.4049 1.4044 1.3967 1.9074 1.3931 1.094 1.3934 1.0918 1.3942 1.0925 1.0926 1.4049 1.4045 1.3967 1.9074 1.3932 1.094 1.3934 1.0918 1.3942 1.0926 1.0926</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="88">-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0002|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0002|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0002|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0002|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0002|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0002|-DE/DX =   -0.0001|-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="148">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 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="148">2 2 20 1 1 3 2 2 19 5 5 8 4 4 6 5 5 7 6 6 8 4 4 7 10 10 13 9 9 11 10 10 12 11 11 13 9 9 12 15 15 18 14 14 16 15 15 17 16 16 18 14 14 17 3 3 20 1 1 19 1 1 8 13 13 16 6 6 18 3 3 11 22 22 34 33 33 36 33 33 37 34 34 38 35 35 38 36 36 37 24 24 44 43 43 46 43 43 47 44 44 48 45 45 48 46 46 47 21 21 54 53 53 56 53 53 57 54 54 58 55 55 58 56 56 57 23 23 64 63 63 66 63 63 67 64 64 68 65 65 68 66 66 67 2 2 7 12</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="148">1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 33 33 33 34 34 34 35 35 35 36 36 36 37 37 37 38 38 38 43 43 43 44 44 44 45 45 45 46 46 46 47 47 47 48 48 48 53 53 53 54 54 54 55 55 55 56 56 56 57 57 57 58 58 58 63 63 63 64 64 64 65 65 65 66 66 66 67 67 67 68 68 68 77 77 77 77</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="148">20 21 21 3 77 77 19 24 24 8 25 25 6 26 26 7 23 23 8 77 77 7 21 21 13 27 27 11 28 28 12 24 24 13 77 77 12 22 22 18 29 29 16 30 30 17 22 22 18 77 77 17 23 23 20 31 31 19 32 32 8 53 53 16 33 33 18 63 63 11 43 43 34 35 35 36 39 39 37 76 76 38 40 40 38 41 41 37 42 42 44 45 45 46 49 49 47 73 73 48 50 50 48 51 51 47 52 52 54 55 55 56 74 74 57 59 59 58 60 60 58 61 61 57 62 62 64 65 65 66 75 75 67 69 69 68 70 70 68 71 71 67 72 72 7 12 17 17</array>
<array dataType="xsd:double" dictRef="cc:angle" size="148">111.2312 125.1314 123.6264 103.9162 128.0396 128.0441 111.228 125.1115 123.6488 106.8219 128.0298 125.1458 106.8 128.1164 125.0819 111.2331 123.6264 125.1301 103.9149 128.0412 128.0437 111.2277 123.6472 125.1129 106.8175 128.1111 125.0689 106.8087 128.1126 125.0769 111.2256 123.6234 125.1404 103.9238 128.0335 128.0426 111.2221 123.646 125.1193 106.8156 128.1124 125.0695 106.8104 128.1124 125.0753 111.2252 123.6262 125.1381 103.9241 128.0353 128.0405 111.2223 123.645 125.1203 106.8228 125.145 128.0298 106.7994 125.0835 128.1153 123.6245 118.1782 118.1955 123.6137 118.2006 118.1836 123.6188 118.1779 118.2013 123.6213 118.2006 118.1762 119.8295 123.5605 116.6099 122.0988 118.0173 119.8839 122.1681 120.0959 117.736 119.7731 119.9143 120.3125 119.5419 120.0844 120.3736 119.8081 120.6354 119.5565 119.7843 123.604 116.6117 122.0836 117.9962 119.9203 122.1864 120.0818 117.7318 119.7821 119.9148 120.3031 119.5269 120.0859 120.3872 119.8092 120.6332 119.5575 123.5577 119.8358 116.6064 122.1736 120.0907 117.7358 122.1036 118.0259 119.8705 119.5345 120.123 120.3425 119.7669 119.9223 120.3108 119.815 119.4932 120.6918 123.5596 119.8355 116.6048 122.1742 120.0902 117.7356 122.1053 118.0225 119.8722 119.5369 120.1225 120.3406 119.7673 119.9252 120.3075 119.8114 119.4968 120.6918 89.9988 89.9999 90.0 90.0013</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="148">-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 =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-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 =   -0.0001|-DE/DX =    0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0001|-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 =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-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 =   -0.0001|-DE/DX =    0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
</list>
<list cmlx:templateRef="lll">
<array dataType="xsd:string" dictRef="g:symbol" size="3">A149 A150 A151</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="3">2 7 2</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="3">77 77 77</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="3">17 12 17</array>
<array dataType="xsd:integer" dictRef="g:atom4" size="3">12 17 12</array>
<array dataType="xsd:integer" dictRef="g:atom5" size="3">-1 -1 -2</array>
<scalar dataType="xsd:double" dictRef="g:lll">180.0013</scalar>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="3">-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">180.0014</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">180.0771</scalar>
</list>
<list cmlx:templateRef="dihed">
<array dataType="xsd:string" dictRef="g:symbol" size="239">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 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="239">20 20 21 21 2 2 21 21 2 2 20 20 1 1 77 77 1 1 3 3 2 2 24 24 2 2 19 19 8 8 25 25 5 5 25 25 4 4 26 26 5 5 23 23 5 5 7 7 6 6 77 77 6 6 8 8 4 4 7 7 13 13 27 27 10 10 27 27 9 9 28 28 10 10 24 24 10 10 12 12 11 11 77 77 11 11 13 13 9 9 12 12 18 18 29 29 15 15 29 29 14 14 30 30 15 15 22 22 15 15 17 17 16 16 77 77 16 16 18 18 14 14 17 17 3 3 31 31 1 1 8 8 13 13 16 16 6 6 18 18 3 3 11 11 22 22 35 35 22 22 34 34 33 33 39 39 33 33 76 76 34 34 40 40 35 35 41 41 24 24 45 45 24 24 44 44 43 43 49 49 43 43 73 73 44 44 50 50 45 45 51 51 21 21 55 55 21 21 54 54 53 53 74 74 53 53 59 59 54 54 60 60 55 55 61 61 23 23 65 65 23 23 64 64 63 63 75 75 63 63 69 69 64 64 70 70 65 65 71</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="239">1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 33 33 33 33 33 33 33 33 34 34 34 34 35 35 35 35 36 36 36 36 37 37 37 37 43 43 43 43 43 43 43 43 44 44 44 44 45 45 45 45 46 46 46 46 47 47 47 47 53 53 53 53 53 53 53 53 54 54 54 54 55 55 55 55 56 56 56 56 57 57 57 57 63 63 63 63 63 63 63 63 64 64 64 64 65 65 65 65 66 66 66 66 67 67 67</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="239">2 2 2 2 20 20 20 20 21 21 21 21 3 3 3 3 77 77 77 77 19 19 19 19 24 24 24 24 5 5 5 5 8 8 8 8 6 6 6 6 7 7 7 7 23 23 23 23 8 8 8 8 77 77 77 77 21 21 21 21 10 10 10 10 13 13 13 13 11 11 11 11 12 12 12 12 24 24 24 24 13 13 13 13 77 77 77 77 22 22 22 22 15 15 15 15 18 18 18 18 16 16 16 16 17 17 17 17 22 22 22 22 18 18 18 18 77 77 77 77 23 23 23 23 20 20 20 20 53 53 53 53 33 33 33 33 63 63 63 63 43 43 43 43 34 34 34 34 35 35 35 35 36 36 36 36 37 37 37 37 38 38 38 38 38 38 38 38 44 44 44 44 45 45 45 45 46 46 46 46 47 47 47 47 48 48 48 48 48 48 48 48 54 54 54 54 55 55 55 55 56 56 56 56 57 57 57 57 58 58 58 58 58 58 58 58 64 64 64 64 65 65 65 65 66 66 66 66 67 67 67 67 68 68 68 68 68 68 68</array>
<array dataType="xsd:integer" dictRef="g:atom4" size="239">3 77 3 77 19 32 19 32 8 53 8 53 19 24 19 24 7 12 7 12 20 31 20 31 11 43 11 43 6 26 6 26 7 21 7 21 7 23 7 23 8 77 8 77 18 63 18 63 4 21 4 21 2 17 2 17 1 53 1 53 11 28 11 28 12 22 12 22 12 24 12 24 13 77 13 77 3 43 3 43 9 22 9 22 2 17 2 17 16 33 16 33 16 30 16 30 17 23 17 23 17 22 17 22 18 77 18 77 13 33 13 33 14 23 14 23 7 12 7 12 6 63 6 63 1 32 1 32 54 55 54 55 34 35 34 35 64 65 64 65 44 45 44 45 36 39 36 39 37 76 37 76 38 40 38 40 38 41 38 41 37 42 37 42 36 42 36 42 46 49 46 49 47 73 47 73 48 50 48 50 48 51 48 51 47 52 47 52 46 52 46 52 56 74 56 74 57 59 57 59 58 60 58 60 58 61 58 61 57 62 57 62 56 62 56 62 66 75 66 75 67 69 67 69 68 70 68 70 68 71 68 71 67 72 67 72 66 72 66</array>
<array dataType="xsd:double" dictRef="cc:dihed" size="239">-0.0723 -179.9435 178.7565 -1.1147 0.3636 179.8964 -178.486 1.0468 -0.5683 178.9327 178.1205 -2.3785 -0.2398 178.5467 179.6314 -1.5821 2.0839 -177.8467 -177.7574 2.3121 0.4716 179.9418 -178.3359 1.1343 -0.3474 179.1387 178.2937 -2.2201 0.4861 -179.9914 179.9314 -0.5461 -0.4632 178.3244 -179.9288 -1.1412 -0.3699 178.5101 -179.9108 -1.0309 0.0833 179.9607 -178.7764 1.1011 -178.1542 2.3665 0.5693 -178.9101 0.228 -178.5381 -179.6495 1.5844 177.8468 -2.0761 -2.3042 177.7729 -178.2911 2.208 0.3273 -179.1736 0.4783 -179.9964 179.9248 -0.5499 -0.4567 178.3089 -179.9246 -1.159 -0.363 178.5057 -179.9066 -1.0379 0.0804 179.9524 -178.7677 1.1044 -178.1179 2.3958 0.5925 -178.8937 0.2259 -178.5178 -179.6462 1.6101 -2.0879 177.835 177.7544 -2.3227 -178.2738 2.261 0.3194 -179.1457 -0.4834 179.9982 -179.9311 0.5505 0.4601 -178.3117 179.9292 1.1574 0.3683 -178.5067 179.9053 1.0303 -0.0835 -179.953 178.771 -1.0985 178.1356 -2.3991 -0.5819 178.8833 -0.226 178.5239 179.6435 -1.6066 -177.8478 2.0827 2.313 -177.7564 178.2904 -2.2304 -0.3098 179.1694 -0.4874 179.9986 -179.9374 0.5486 91.6391 -88.4557 -88.8323 91.0728 90.9435 -88.9524 -88.5512 91.553 -91.6026 88.5044 88.8894 -91.0036 -91.0535 88.8553 88.461 -91.6302 -179.9063 0.0759 -0.0033 179.9789 179.8487 -0.1327 -0.0503 179.9684 0.0471 179.9847 -179.9347 0.0028 0.0595 -179.9445 -179.9587 0.0373 -0.0381 179.9528 -179.9754 0.0155 -0.0137 179.9953 179.9903 -0.0007 179.9197 -0.0789 0.0047 -179.9939 -179.8704 0.1579 0.0411 -179.9306 -0.0678 179.9912 179.9307 -0.0102 -0.0233 179.9902 179.949 -0.0374 0.0856 -179.9436 -179.9737 -0.0029 -0.0412 179.9876 179.9452 -0.0259 179.8666 -0.146 -0.0414 179.946 -179.9212 0.0807 -0.0096 179.9923 0.0285 -179.9817 -179.9592 0.0306 0.0729 -179.9867 -179.9289 0.0114 0.0363 -179.9891 -179.9535 0.0211 -0.0856 179.9401 179.9742 0.0 -179.8572 0.1391 0.0389 -179.9647 179.872 -0.0735 -0.0283 -179.9738 -0.0609 179.9477 179.9427 -0.0487 0.0398 -179.9715 179.9843 -0.027 0.0703 -179.9903 -179.9384 0.001 -0.0602 -179.9988 179.9512</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="239">-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0001|-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 =   -0.0001|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-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 =    0.0001|-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-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 =    0.0001|-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0001|-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 =   -0.0001|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =    0.0001|-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|-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 =   -0.0001|-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>
</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.dispersion">
<scalar dataType="xsd:string" dictRef="g:empdispersion">Grimme-D3</scalar>
<scalar dataType="xsd:double" dictRef="g:dispenergy" units="nonsi:hartree">-0.0093530955</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">On-the-fly selection</scalar>
<scalar dataType="xsd:string" dictRef="g:solvent">n,n-DiMethylFormamide</scalar>
<scalar dataType="xsd:double" dictRef="g:eps">37.219000</scalar>
<scalar dataType="xsd:double" dictRef="g:epsinfinity">2.046330</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="1.388204" y3="-2.705133" z3="-0.039604">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="1.476016" y3="-1.313701" z3="0.000616">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="2.847926" y3="-1.065264" z3="0.044742">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-2.283653" y3="-3.595268" z3="-0.038151">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-3.306226" y3="-2.685518" z3="0.02155">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-2.704881" y3="-1.388344" z3="0.03847">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-1.313485" y3="-1.476076" z3="-0.00164">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.064994" y3="-2.847998" z3="-0.045685">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="2.284075" y3="3.594872" z3="-0.037797">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="3.306429" y3="2.685001" z3="0.021846">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="2.705079" y3="1.387837" z3="0.03879">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="1.313682" y3="1.475788" z3="-0.001411">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.065201" y3="2.847612" z3="-0.045464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="-3.595022" y3="2.283728" z3="0.03802">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="-2.685171" y3="3.306135" z3="-0.021591">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="-1.387963" y3="2.704851" z3="-0.038817">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="-1.475835" y3="1.313457" z3="0.001057">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-2.847681" y3="1.064878" z3="0.045267">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="3.595161" y3="-2.283968" z3="0.037424">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="2.685397" y3="-3.306533" z3="-0.022414">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="0.199932" y3="-3.433505" z3="-0.066895">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="-0.199741" y3="3.433314" z3="-0.066341">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="-3.433309" y3="-0.200062" z3="0.066054">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="3.433457" y3="0.199695" z3="0.066246">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-2.353085" y3="-4.683046" z3="-0.065717">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-4.378924" y3="-2.879292" z3="0.044443">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="2.352107" y3="4.682717" z3="-0.065311">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="4.379174" y3="2.878676" z3="0.044734">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="-4.682867" y3="2.351704" z3="0.065797">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-2.878873" y3="4.378878" z3="-0.044175">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="4.682928" y3="-2.353425" z3="0.06529">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="2.879173" y3="-4.379231" z3="-0.045103">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="-0.28634" y3="4.916704" z3="-0.133158">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="-0.352306" y3="5.557045" z3="-1.381383">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="-0.305065" y3="5.745662" z3="1.001079">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="-0.432504" y3="6.942853" z3="-1.499173">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="-0.383962" y3="7.136882" z3="0.904169">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="-0.447987" y3="7.735425" z3="-0.35226">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="-0.338931" y3="4.933539" z3="-2.28017">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="-0.481907" y3="7.403622" z3="-2.488568">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="-0.395282" y3="7.748793" z3="1.808367">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="-0.509774" y3="8.823586" z3="-0.428321">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="4.916806" y3="0.286433" z3="0.133221">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="5.555953" y3="0.354174" z3="1.382192">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="5.746726" y3="0.303887" z3="-0.999989">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="6.941594" y3="0.434881" z3="1.500903">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="7.137904" y3="0.383438" z3="-0.902253">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="7.735277" y3="0.448662" z3="0.354644">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="4.931197" y3="0.342039" z3="2.280098">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="7.401602" y3="0.486091" z3="2.490582">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="7.750393" y3="0.394473" z3="-1.80605">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="8.823356" y3="0.510676" z3="0.431664">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="0.286564" y3="-4.916914" z3="-0.133005">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="0.303421" y3="-5.745412" z3="1.001685">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="0.354715" y3="-5.557898" z3="-1.380833">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="0.382773" y3="-7.136593" z3="0.90567">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="0.435356" y3="-6.943793" z3="-1.497898">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="0.448522" y3="-7.735746" z3="-0.350597">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="0.343068" y3="-4.934969" z3="-2.280051">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="0.393255" y3="-7.748596" z3="1.809794">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="0.486964" y3="-7.405091" z3="-2.486937">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="0.510383" y3="-8.824032" z3="-0.424882">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="-4.916692" y3="-0.286763" z3="0.132516">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="-5.745445" y3="-0.304291" z3="-1.001921">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="-5.557422" y3="-0.354025" z3="1.380535">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="-7.136616" y3="-0.383493" z3="-0.905527">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="-6.94333" y3="-0.433664" z3="1.498014">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="-7.735494" y3="-0.449099" z3="0.350877">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="-4.934261" y3="-0.341526" z3="2.279583">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="-7.748858" y3="-0.393943" z3="-1.809493">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="-7.404479" y3="-0.483899" z3="2.487195">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="-8.823741" y3="-0.511189" z3="0.42547">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="4.983243" y3="0.218411" z3="-2.746109">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="0.216948" y3="-4.979732" z3="2.746497">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="-4.980228" y3="-0.218513" z3="-2.746968">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="-0.220997" y3="4.981027" z3="2.746384">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000113" y3="-0.000104" z3="-0.000412">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3882,-2.7051,-.0396;1.476,-1.3137,.0006;2.8479,-1.0653,.0447;-2.2837,-3.5953,-.0382;-3.3062,-2.6855,.0215;-2.7049,-1.3883,.0385;-1.3135,-1.4761,-.0016;-1.065,-2.848,-.0457;2.2841,3.5949,-.0378;3.3064,2.685,.0218;2.7051,1.3878,.0388;1.3137,1.4758,-.0014;1.0652,2.8476,-.0455;-3.595,2.2837,.038;-2.6852,3.3061,-.0216;-1.388,2.7049,-.0388;-1.4758,1.3135,.0011;-2.8477,1.0649,.0453;3.5952,-2.284,.0374;2.6854,-3.3065,-.0224;.1999,-3.4335,-.0669;-.1997,3.4333,-.0663;-3.4333,-.2001,.0661;3.4335,.1997,.0662;-2.3531,-4.683,-.0657;-4.3789,-2.8793,.0444;2.3521,4.6827,-.0653;4.3792,2.8787,.0447;-4.6829,2.3517,.0658;-2.8789,4.3789,-.0442;4.6829,-2.3534,.0653;2.8792,-4.3792,-.0451;-.2863,4.9167,-.1332;-.3523,5.557,-1.3814;-.3051,5.7457,1.0011;-.4325,6.9429,-1.4992;-.384,7.1369,.9042;-.448,7.7354,-.3523;-.3389,4.9335,-2.2802;-.4819,7.4036,-2.4886;-.3953,7.7488,1.8084;-.5098,8.8236,-.4283;4.9168,.2864,.1332;5.556,.3542,1.3822;5.7467,.3039,-1;6.9416,.4349,1.5009;7.1379,.3834,-.9023;7.7353,.4487,.3546;4.9312,.342,2.2801;7.4016,.4861,2.4906;7.7504,.3945,-1.806;8.8234,.5107,.4317;.2866,-4.9169,-.133;.3034,-5.7454,1.0017;.3547,-5.5579,-1.3808;.3828,-7.1366,.9057;.4354,-6.9438,-1.4979;.4485,-7.7357,-.3506;.3431,-4.935,-2.2801;.3933,-7.7486,1.8098;.487,-7.4051,-2.4869;.5104,-8.824,-.4249;-4.9167,-.2868,.1325;-5.7454,-.3043,-1.0019;-5.5574,-.354,1.3805;-7.1366,-.3835,-.9055;-6.9433,-.4337,1.498;-7.7355,-.4491,.3509;-4.9343,-.3415,2.2796;-7.7489,-.3939,-1.8095;-7.4045,-.4839,2.4872;-8.8237,-.5112,.4255;4.9832,.2184,-2.7461;.2169,-4.9797,2.7465;-4.9802,-.2185,-2.747;-.221,4.981,2.7464;.0001,-.0001,-.0004;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339989 0.0339947 0.0208312</array>
</module>
</module>
<module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
<array dataType="xsd:double" dictRef="g:alphaocc" size="242">-482.06237 -482.06235 -482.06235 -482.06234 -255.47149 -62.34139 -62.34137 -62.34137 -62.34136 -56.06516 -56.06515 -56.06515 -56.06514 -56.06229 -56.06228 -56.06227 -56.06227 -56.06218 -56.06217 -56.06216 -56.06216 -29.86220 -25.66205 -25.66205 -25.65506 -14.15269 -14.15269 -14.15266 -14.15265 -10.10521 -10.10521 -10.10521 -10.10520 -10.07371 -10.07369 -10.07368 -10.07366 -10.06789 -10.06787 -10.06786 -10.06786 -10.06433 -10.06432 -10.06432 -10.06432 -10.06218 -10.06217 -10.06217 -10.06216 -10.06167 -10.06167 -10.06167 -10.06166 -10.05177 -10.05175 -10.05175 -10.05172 -10.05165 -10.05164 -10.05163 -10.05163 -10.03539 -10.03537 -10.03537 -10.03534 -10.02598 -10.02597 -10.02596 -10.02595 -10.02554 -10.02554 -10.02553 -10.02552 -8.68501 -8.68499 -8.68499 -8.68498 -6.46375 -6.46373 -6.46373 -6.46372 -6.44878 -6.44876 -6.44876 -6.44875 -6.44783 -6.44781 -6.44781 -6.44780 -3.32368 -2.53421 -2.53420 -2.53420 -2.53419 -2.53102 -2.53100 -2.53100 -2.53099 -2.53040 -2.53038 -2.53038 -2.53037 -2.51889 -2.51889 -2.51888 -2.51888 -2.51887 -2.51887 -2.51887 -2.51886 -2.07398 -2.07398 -2.06957 -0.88245 -0.87250 -0.87249 -0.86177 -0.82788 -0.82606 -0.82605 -0.82532 -0.76004 -0.75469 -0.75467 -0.75442 -0.75316 -0.74281 -0.74280 -0.73197 -0.69606 -0.69605 -0.69562 -0.69387 -0.68907 -0.68549 -0.68549 -0.67995 -0.67307 -0.66919 -0.66918 -0.64892 -0.64131 -0.59155 -0.59154 -0.57148 -0.56071 -0.56033 -0.56031 -0.55374 -0.54629 -0.54628 -0.54453 -0.52503 -0.51207 -0.49513 -0.49513 -0.49465 -0.47056 -0.47026 -0.46842 -0.46842 -0.46682 -0.44712 -0.44712 -0.44616 -0.44423 -0.43024 -0.43023 -0.42930 -0.42874 -0.42622 -0.42621 -0.40984 -0.39847 -0.39802 -0.39802 -0.38326 -0.37724 -0.37716 -0.37715 -0.37670 -0.37359 -0.36820 -0.36820 -0.36391 -0.35378 -0.35266 -0.35237 -0.35236 -0.35048 -0.34924 -0.34803 -0.34803 -0.33883 -0.33883 -0.33834 -0.33196 -0.32038 -0.31562 -0.31369 -0.31159 -0.31158 -0.31106 -0.31029 -0.31028 -0.30964 -0.30489 -0.30489 -0.30015 -0.29939 -0.28567 -0.28564 -0.28563 -0.28479 -0.26996 -0.26988 -0.25735 -0.25735 -0.25579 -0.25406 -0.25406 -0.24983 -0.23468 -0.23339 -0.23339 -0.23091 -0.22705 -0.22704 -0.21800 -0.21712 -0.21710 -0.21605 -0.21360 -0.20730 -0.20729 -0.19799 -0.15958 -0.15264 -0.10865 -0.09721 -0.09721 -0.09302</array>
<array dataType="xsd:double" dictRef="g:alphavirt" size="709">-0.06293 -0.06293 -0.03551 -0.03495 -0.03425 -0.03387 -0.03386 -0.03309 -0.03308 -0.03169 -0.02889 -0.00351 -0.00313 -0.00309 -0.00275 0.01450 0.04323 0.05902 0.06358 0.06359 0.07621 0.09044 0.09044 0.09057 0.09201 0.09901 0.10449 0.11043 0.11045 0.11122 0.11315 0.11559 0.11615 0.11616 0.12094 0.12095 0.12294 0.12616 0.12837 0.13065 0.13065 0.13622 0.14897 0.14898 0.15535 0.15664 0.15665 0.15724 0.16218 0.16670 0.16672 0.16681 0.16911 0.18658 0.19053 0.19932 0.19932 0.21846 0.21848 0.21904 0.23058 0.24086 0.24116 0.24116 0.24475 0.24980 0.25239 0.25859 0.25860 0.25953 0.26746 0.26746 0.27708 0.27739 0.28174 0.28175 0.28250 0.28987 0.29437 0.29750 0.29750 0.29806 0.30215 0.30295 0.30458 0.30462 0.31153 0.31422 0.32164 0.32252 0.32253 0.34206 0.34206 0.34261 0.34879 0.35409 0.35409 0.36124 0.36433 0.36629 0.36630 0.37762 0.37925 0.38897 0.39292 0.39292 0.40048 0.40252 0.40252 0.40341 0.40995 0.40997 0.41000 0.41323 0.41337 0.41454 0.41495 0.41771 0.42030 0.42030 0.43020 0.43022 0.43642 0.43842 0.43987 0.43988 0.44926 0.44995 0.44996 0.45226 0.45436 0.45586 0.45588 0.46128 0.46130 0.46516 0.46661 0.46674 0.46911 0.46913 0.46983 0.47128 0.47285 0.48214 0.48215 0.48508 0.48984 0.48985 0.49434 0.49537 0.49539 0.49662 0.49806 0.49808 0.50303 0.50387 0.50883 0.50949 0.50991 0.51370 0.51371 0.51498 0.52182 0.52183 0.52193 0.52504 0.52505 0.53135 0.53323 0.53328 0.54523 0.54540 0.55636 0.55637 0.56603 0.56606 0.56737 0.56738 0.56874 0.57201 0.57357 0.57582 0.58295 0.58647 0.58648 0.59268 0.59312 0.59315 0.59416 0.59848 0.60419 0.60692 0.60694 0.60967 0.61018 0.61193 0.61194 0.61864 0.61865 0.61870 0.62096 0.62744 0.62782 0.63468 0.64056 0.64058 0.64200 0.64201 0.64311 0.64533 0.64993 0.64994 0.65039 0.65782 0.66959 0.66961 0.67435 0.67574 0.68505 0.68766 0.68767 0.69300 0.69342 0.69530 0.69530 0.69929 0.69931 0.70199 0.70599 0.70838 0.70841 0.70992 0.71751 0.72065 0.72095 0.72095 0.72114 0.72288 0.72290 0.72751 0.72942 0.73029 0.73168 0.73171 0.73909 0.74353 0.74355 0.74642 0.75031 0.75637 0.75856 0.75858 0.76137 0.76202 0.76863 0.76864 0.77410 0.77710 0.77774 0.78133 0.79487 0.79489 0.80905 0.80998 0.81392 0.81396 0.82372 0.82827 0.82877 0.83066 0.83068 0.83845 0.84247 0.84254 0.85051 0.85277 0.85278 0.85323 0.85815 0.85818 0.86616 0.87532 0.88355 0.88356 0.88586 0.88587 0.89506 0.91737 0.91739 0.92165 0.93001 0.95562 0.95815 0.95818 0.96469 0.96700 0.97408 0.97411 0.98295 0.98549 0.99304 0.99595 0.99597 0.99598 1.01671 1.03602 1.03746 1.03748 1.05099 1.06238 1.06281 1.06736 1.06738 1.07061 1.07065 1.08420 1.08752 1.09720 1.11489 1.11491 1.12153 1.12808 1.13356 1.13362 1.14708 1.17050 1.17687 1.17696 1.17701 1.17855 1.18376 1.18379 1.18989 1.19909 1.19991 1.20349 1.20470 1.20472 1.20526 1.20930 1.20933 1.21693 1.21694 1.22122 1.22232 1.22327 1.22328 1.22345 1.22911 1.22920 1.22921 1.23226 1.23762 1.26290 1.26332 1.26334 1.26439 1.26962 1.27558 1.27561 1.27710 1.29806 1.29810 1.30499 1.31126 1.31428 1.31702 1.32237 1.32240 1.32747 1.32751 1.33628 1.35634 1.37157 1.37183 1.37610 1.37651 1.37653 1.41824 1.41828 1.42879 1.44243 1.45027 1.45031 1.45273 1.45484 1.47546 1.47548 1.49054 1.49618 1.51443 1.51445 1.51705 1.52161 1.52253 1.53069 1.54807 1.54807 1.56489 1.56490 1.56563 1.60447 1.60843 1.60844 1.62906 1.64309 1.64438 1.64578 1.64754 1.64756 1.64975 1.64977 1.65063 1.68094 1.68490 1.69154 1.69156 1.69592 1.69845 1.69845 1.70063 1.70363 1.71051 1.71052 1.71231 1.72595 1.73274 1.73276 1.73291 1.73988 1.73989 1.74305 1.74477 1.74501 1.75573 1.75593 1.75744 1.75745 1.76311 1.76395 1.76396 1.76963 1.76964 1.77280 1.78163 1.78493 1.78774 1.78782 1.79563 1.79614 1.79619 1.79909 1.80752 1.81572 1.81572 1.82252 1.82401 1.82717 1.83023 1.83028 1.83751 1.86828 1.87322 1.87404 1.87406 1.88381 1.89772 1.90019 1.90023 1.91228 1.91783 1.91783 1.92590 1.93814 1.93816 1.93881 1.94478 1.95332 1.95543 1.95743 1.95753 1.95754 1.96207 1.96208 1.96395 1.96546 1.96738 1.96739 1.97786 1.97788 1.97802 1.98366 2.00291 2.00943 2.00945 2.01265 2.01501 2.03997 2.05255 2.06038 2.06042 2.06747 2.06749 2.06751 2.06945 2.08779 2.09132 2.09134 2.09226 2.10362 2.12841 2.12843 2.13004 2.14888 2.15767 2.15771 2.16063 2.16182 2.17320 2.17525 2.17527 2.17533 2.17651 2.17741 2.17784 2.17787 2.18620 2.18623 2.19719 2.20027 2.20578 2.20581 2.20676 2.21409 2.24312 2.24523 2.24524 2.26255 2.26484 2.27142 2.27146 2.27997 2.28002 2.28199 2.28944 2.29184 2.29691 2.29692 2.30391 2.31385 2.31390 2.31727 2.31833 2.32122 2.32184 2.32185 2.33345 2.33575 2.33930 2.33935 2.34292 2.36637 2.37036 2.37294 2.37295 2.37668 2.40351 2.40352 2.40822 2.41245 2.41470 2.41797 2.41799 2.43002 2.43426 2.43429 2.45800 2.48786 2.51621 2.51623 2.52843 2.53374 2.55331 2.55425 2.55427 2.59385 2.59894 2.59968 2.59969 2.61444 2.62580 2.64125 2.64345 2.64351 2.64460 2.64964 2.64970 2.65048 2.66034 2.66101 2.66102 2.66162 2.66333 2.66592 2.67188 2.67189 2.69907 2.70909 2.70949 2.70949 2.72098 2.72099 2.73426 2.74055 2.74055 2.74596 2.75362 2.76056 2.76056 2.76240 2.77189 2.77775 2.78629 2.79247 2.79248 2.79318 2.79320 2.80888 2.81369 2.82943 2.83844 2.84777 2.84778 2.87629 2.88009 2.88132 2.88174 2.88176 2.91550 2.92280 2.92290 2.92580 2.93049 2.94059 2.94071 2.95817 3.00761 3.01233 3.01234 3.01775 3.04104 3.04520 3.04524 3.04664 3.04909 3.08797 3.08799 3.09283 3.10022 3.14358 3.17347 3.17348 3.21207 3.21208 3.24919 3.24923 3.24960 3.24962 3.37835 3.38837 3.41408 3.43196 3.43637 3.43639 3.50697 3.50771 3.50772 3.50897 3.51492 3.53418 3.53419 3.55783 3.55844 3.55846 3.56026 3.56569 3.57945 3.57989 3.57992 3.57992 3.59230 3.59572 3.60284 3.60285 3.71605 3.71611 3.71643 3.71742 3.93317 3.93716 3.93717 3.94036 4.19131 4.22146 4.22718 4.23354 4.23354 4.34147 4.34147</array>
<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">0.0006 0.0026 0.0062</array>
<scalar dataType="xsd:double" dictRef="x:dipole">0.0067</scalar>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-390.5804 -390.5661 -371.5895</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">0.0096 0.0139 -0.0114</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-6.3350 -6.3208 12.6558 0.0096 0.0139 -0.0114</array>
<array dataType="xsd:double" dictRef="cc:octapole" size="10">-0.2497 -0.0515 0.0196 0.1334 0.0214 105.7546 0.0112 0.0581 -105.6150 15.2388</array>
<array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-25290.5613 -25288.3190 -4559.4177 296.5034 1.0067 -296.2683 -1.1204 -0.5656 0.1299 -10082.4326 -5486.0607 -5485.3969 0.2689 -0.4882 -0.0158</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="2.92334" y3="-0.83528" z3="-0.032357">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="1.967603" y3="0.180139" z3="0.004104">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="2.723762" y3="1.351343" z3="0.046206">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.063461" y3="-4.12427" z3="-0.043179">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-0.300053" y3="-4.248953" z3="0.009577">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-0.83574" y3="-2.923367" z3="0.032527">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.179696" y3="-1.967658" z3="-0.003649">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="1.350922" y3="-2.723828" z3="-0.04552">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-1.063933" y3="4.124688" z3="-0.043299">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="0.299508" y3="4.249351" z3="0.010083">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="0.835217" y3="2.923738" z3="0.032993">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.180209" y3="1.968009" z3="-0.003609">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-1.351363" y3="2.724163" z3="-0.045878">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="-4.124754" y3="-1.063442" z3="0.04281">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="-4.249376" y3="0.300015" z3="-0.010232">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="-2.923759" y3="0.835668" z3="-0.032856">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="-1.968053" y3="-0.179753" z3="0.003715">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-2.724234" y3="-1.35092" z3="0.045527">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="4.124204" y3="1.06394" z3="0.043667">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="4.248921" y3="-0.299554" z3="-0.009425">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="2.64285" y3="-2.200635" z3="-0.059993">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="-2.643298" y3="2.201023" z3="-0.060523">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="-2.201113" y3="-2.642858" z3="0.059935">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="2.200566" y3="2.643262" z3="0.06081">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="1.810325" y3="-4.918144" z3="-0.070845">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-0.891673" y3="-5.164631" z3="0.02539">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-1.811224" y3="4.91815" z3="-0.071146">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="0.891147" y3="5.165017" z3="0.026279">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="-4.918243" y3="-1.810712" z3="0.070356">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-5.165012" y3="0.891707" z3="-0.026429">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="4.918046" y3="1.810842" z3="0.07136">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="5.16462" y3="-0.89113" z3="-0.025505">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="-3.785032" y3="3.152165" z3="-0.119317">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="-4.30863" y3="3.538731" z3="-1.363793">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="-4.39218" y3="3.707806" z3="1.019276">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="-5.375813" y3="4.427453" z3="-1.473952">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="-5.463183" y3="4.599903" z3="0.929976">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="-5.954871" y3="4.959976" z3="-0.322842">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="-3.852591" y3="3.119875" z3="-2.265636">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="-5.754969" y3="4.704375" z3="-2.460481">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="-5.909609" y3="5.011446" z3="1.837276">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="-6.792195" y3="5.658399" z3="-0.392494">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="3.151734" y3="3.784984" z3="0.119663">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="3.536736" y3="4.309461" z3="1.364382">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="3.708983" y3="4.391187" z3="-1.018481">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="4.425527" y3="5.376485" z3="1.474885">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="4.601288" y3="5.462018" z3="-0.928895">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="4.959646" y3="5.954635" z3="0.324025">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="3.116527" y3="3.854046" z3="2.265896">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="4.701292" y3="5.756383" z3="2.461462">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="5.01409" y3="5.907611" z3="-1.836023">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="5.658217" y3="6.791803" z3="0.394058">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="3.784647" y3="-3.151724" z3="-0.118682">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="4.391181" y3="-3.708111" z3="1.019914">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="4.309063" y3="-3.537404" z3="-1.363057">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="5.462114" y3="-4.600207" z3="0.93064">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="5.376256" y3="-4.426146" z3="-1.473234">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="5.954631" y3="-4.959377" z3="-0.322184">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="3.853601" y3="-3.117965" z3="-2.264923">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="5.908217" y3="-5.012423" z3="1.837781">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="5.755971" y3="-4.702396" z3="-2.459737">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="6.79195" y3="-5.657851" z3="-0.391433">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="-3.152258" y3="-3.78462" z3="0.118081">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="-3.707737" y3="-4.391323" z3="-1.020857">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="-3.538839" y3="-4.308914" z3="1.362237">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="-4.599791" y3="-5.462341" z3="-0.932147">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="-4.427338" y3="-5.376354" z3="1.471847">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="-4.96004" y3="-5.954593" z3="0.320466">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="-3.120059" y3="-3.853348" z3="2.264357">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="-5.011345" y3="-5.908523" z3="-1.839551">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="-4.704246" y3="-5.756042" z3="2.458176">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="-5.658465" y3="-6.791983" z3="0.389292">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="3.256014" y3="3.75578" z3="-2.759396">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="3.756501" y3="-3.253798" z3="2.760692">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="-3.252442" y3="-3.756503" z3="-2.761332">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="-3.758048" y3="3.252765" z3="2.760023">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.000225" y3="0.000199" z3="0.000235">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.9233,-.8353,-.0324;1.9676,.1801,.0041;2.7238,1.3513,.0462;1.0635,-4.1243,-.0432;-.3001,-4.249,.0096;-.8357,-2.9234,.0325;.1797,-1.9677,-.0036;1.3509,-2.7238,-.0455;-1.0639,4.1247,-.0433;.2995,4.2494,.0101;.8352,2.9237,.033;-.1802,1.968,-.0036;-1.3514,2.7242,-.0459;-4.1248,-1.0634,.0428;-4.2494,.3,-.0102;-2.9238,.8357,-.0329;-1.9681,-.1798,.0037;-2.7242,-1.3509,.0455;4.1242,1.0639,.0437;4.2489,-.2996,-.0094;2.6429,-2.2006,-.06;-2.6433,2.201,-.0605;-2.2011,-2.6429,.0599;2.2006,2.6433,.0608;1.8103,-4.9181,-.0708;-.8917,-5.1646,.0254;-1.8112,4.9181,-.0711;.8911,5.165,.0263;-4.9182,-1.8107,.0704;-5.165,.8917,-.0264;4.918,1.8108,.0714;5.1646,-.8911,-.0255;-3.785,3.1522,-.1193;-4.3086,3.5387,-1.3638;-4.3922,3.7078,1.0193;-5.3758,4.4275,-1.474;-5.4632,4.5999,.93;-5.9549,4.96,-.3228;-3.8526,3.1199,-2.2656;-5.755,4.7044,-2.4605;-5.9096,5.0114,1.8373;-6.7922,5.6584,-.3925;3.1517,3.785,.1197;3.5367,4.3095,1.3644;3.709,4.3912,-1.0185;4.4255,5.3765,1.4749;4.6013,5.462,-.9289;4.9596,5.9546,.324;3.1165,3.854,2.2659;4.7013,5.7564,2.4615;5.0141,5.9076,-1.836;5.6582,6.7918,.3941;3.7846,-3.1517,-.1187;4.3912,-3.7081,1.0199;4.3091,-3.5374,-1.3631;5.4621,-4.6002,.9306;5.3763,-4.4261,-1.4732;5.9546,-4.9594,-.3222;3.8536,-3.118,-2.2649;5.9082,-5.0124,1.8378;5.756,-4.7024,-2.4597;6.7919,-5.6579,-.3914;-3.1523,-3.7846,.1181;-3.7077,-4.3913,-1.0209;-3.5388,-4.3089,1.3622;-4.5998,-5.4623,-.9321;-4.4273,-5.3764,1.4718;-4.96,-5.9546,.3205;-3.1201,-3.8533,2.2644;-5.0113,-5.9085,-1.8396;-4.7042,-5.756,2.4582;-5.6585,-6.792,.3893;3.256,3.7558,-2.7594;3.7565,-3.2538,2.7607;-3.2524,-3.7565,-2.7613;-3.758,3.2528,2.76;-.0002,.0002,.0002;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340060 0.0340002 0.0208712</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="2.973329" y3="-0.63385" z3="-0.031428">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="1.950597" y3="0.314169" z3="0.003922">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="2.625164" y3="1.534181" z3="0.045821">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.341988" y3="-4.042133" z3="-0.043921">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-0.009936" y3="-4.259375" z3="0.008579">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-0.634656" y3="-2.973385" z3="0.032558">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.313412" y3="-1.950699" z3="-0.002837">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="1.533422" y3="-2.6253" z3="-0.044664">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-1.342938" y3="4.042754" z3="-0.045428">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="0.008928" y3="4.260094" z3="0.007583">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="0.633684" y3="2.97408" z3="0.031908">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.314303" y3="1.951297" z3="-0.003519">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-1.534267" y3="2.625893" z3="-0.045904">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="-4.042897" y3="-1.34205" z3="0.044578">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="-4.26016" y3="0.009817" z3="-0.008372">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="-2.974122" y3="0.634471" z3="-0.032226">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="-1.951392" y3="-0.313531" z3="0.003594">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-2.62605" y3="-1.533469" z3="0.045588">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="4.041988" y3="1.342837" z3="0.044978">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="4.259283" y3="-0.009068" z3="-0.007558">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="2.786699" y3="-2.015176" z3="-0.059241">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="-2.78749" y3="2.015777" z3="-0.060463">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="-2.015981" y3="-2.786717" z3="0.060265">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="2.01504" y3="2.787434" z3="0.06007">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="2.141351" y3="-4.783089" z3="-0.072388">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-0.537622" y3="-5.213348" z3="0.022692">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-2.142374" y3="4.783624" z3="-0.074294">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="0.536602" y3="5.214066" z3="0.021746">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="-4.783822" y3="-2.141444" z3="0.07308">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-5.214094" y3="0.537563" z3="-0.022886">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="4.782894" y3="2.142257" z3="0.073282">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="5.21328" y3="-0.536705" z3="-0.021839">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="-3.991517" y3="2.886514" z3="-0.123539">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="-4.533284" y3="3.238423" z3="-1.370564">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="-4.642968" y3="3.396029" z3="1.012156">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="-5.658308" y3="4.051964" z3="-1.486028">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="-5.772483" y3="4.212076" z3="0.917499">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="-6.279766" y3="4.540796" z3="-0.337694">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="-4.044008" y3="2.853724" z3="-2.270194">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="-6.049624" y3="4.30433" z3="-2.474406">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="-6.252535" y3="4.588782" z3="1.822683">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="-7.162975" y3="5.179805" z3="-0.411152">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="2.885889" y3="3.991423" z3="0.122923">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="3.236488" y3="4.534457" z3="1.369822">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="3.397019" y3="4.641487" z3="-1.012792">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="4.050338" y3="5.659227" z3="1.485112">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="4.213574" y3="5.770657" z3="-0.918339">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="4.540592" y3="6.279401" z3="0.336685">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="2.850644" y3="4.046228" z3="2.269527">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="4.301849" y3="6.051435" z3="2.473355">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="4.591856" y3="6.249358" z3="-1.823573">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="5.179898" y3="7.162403" z3="0.410038">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="3.990766" y3="-2.885879" z3="-0.122411">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="4.642177" y3="-3.395783" z3="1.013144">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="4.53262" y3="-3.237332" z3="-1.369462">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="5.771462" y3="-4.212051" z3="0.918197">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="5.657492" y3="-4.051054" z3="-1.485195">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="6.278994" y3="-4.540139" z3="-0.337054">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="4.043338" y3="-2.852361" z3="-2.268972">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="6.251331" y3="-4.589267" z3="1.82326">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="6.048632" y3="-4.303244" z3="-2.473687">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="7.162115" y3="-5.179241" z3="-0.410757">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="-2.886755" y3="-3.990745" z3="0.12292">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="-3.395751" y3="-4.642249" z3="-1.013001">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="-3.238988" y3="-4.532626" z3="1.369746">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="-4.21185" y3="-5.771704" z3="-0.918635">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="-4.052032" y3="-5.65804" z3="1.484879">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="-4.541181" y3="-6.27892" z3="0.336413">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="-2.854567" y3="-4.043394" z3="2.269518">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="-4.588183" y3="-6.251757" z3="-1.823969">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="-4.30453" y3="-6.049447" z3="2.473185">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="-5.180259" y3="-7.162094" z3="0.409679">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="2.981611" y3="3.990341" z3="-2.757049">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="3.993327" y3="-2.97845" z3="2.757866">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="-2.977416" y3="-3.993161" z3="-2.757403">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="-3.993762" y3="2.97837" z3="2.756654">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.000398" y3="0.000316" z3="0.000406">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.9733,-.6339,-.0314;1.9506,.3142,.0039;2.6252,1.5342,.0458;1.342,-4.0421,-.0439;-.0099,-4.2594,.0086;-.6347,-2.9734,.0326;.3134,-1.9507,-.0028;1.5334,-2.6253,-.0447;-1.3429,4.0428,-.0454;.0089,4.2601,.0076;.6337,2.9741,.0319;-.3143,1.9513,-.0035;-1.5343,2.6259,-.0459;-4.0429,-1.342,.0446;-4.2602,.0098,-.0084;-2.9741,.6345,-.0322;-1.9514,-.3135,.0036;-2.6261,-1.5335,.0456;4.042,1.3428,.045;4.2593,-.0091,-.0076;2.7867,-2.0152,-.0592;-2.7875,2.0158,-.0605;-2.016,-2.7867,.0603;2.015,2.7874,.0601;2.1414,-4.7831,-.0724;-.5376,-5.2133,.0227;-2.1424,4.7836,-.0743;.5366,5.2141,.0217;-4.7838,-2.1414,.0731;-5.2141,.5376,-.0229;4.7829,2.1423,.0733;5.2133,-.5367,-.0218;-3.9915,2.8865,-.1235;-4.5333,3.2384,-1.3706;-4.643,3.396,1.0122;-5.6583,4.052,-1.486;-5.7725,4.2121,.9175;-6.2798,4.5408,-.3377;-4.044,2.8537,-2.2702;-6.0496,4.3043,-2.4744;-6.2525,4.5888,1.8227;-7.163,5.1798,-.4112;2.8859,3.9914,.1229;3.2365,4.5345,1.3698;3.397,4.6415,-1.0128;4.0503,5.6592,1.4851;4.2136,5.7707,-.9183;4.5406,6.2794,.3367;2.8506,4.0462,2.2695;4.3018,6.0514,2.4734;4.5919,6.2494,-1.8236;5.1799,7.1624,.41;3.9908,-2.8859,-.1224;4.6422,-3.3958,1.0131;4.5326,-3.2373,-1.3695;5.7715,-4.2121,.9182;5.6575,-4.0511,-1.4852;6.279,-4.5401,-.3371;4.0433,-2.8524,-2.269;6.2513,-4.5893,1.8233;6.0486,-4.3032,-2.4737;7.1621,-5.1792,-.4108;-2.8868,-3.9907,.1229;-3.3958,-4.6422,-1.013;-3.239,-4.5326,1.3697;-4.2119,-5.7717,-.9186;-4.052,-5.658,1.4849;-4.5412,-6.2789,.3364;-2.8546,-4.0434,2.2695;-4.5882,-6.2518,-1.824;-4.3045,-6.0494,2.4732;-5.1803,-7.1621,.4097;2.9816,3.9903,-2.757;3.9933,-2.9785,2.7579;-2.9774,-3.9932,-2.7574;-3.9938,2.9784,2.7567;-.0004,.0003,.0004;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339765 0.0339681 0.0208412</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="3.007838" y3="-0.439504" z3="-0.02486">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="1.925581" y3="0.44045" z3="0.003989">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="2.519614" y3="1.701625" z3="0.042485">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.600816" y3="-3.94629" z3="-0.041713">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.265467" y3="-4.250688" z3="0.004385">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-0.441231" y3="-3.007971" z3="0.027815">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.438824" y3="-1.925769" z3="-0.001226">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="1.699973" y3="-2.519873" z3="-0.039386">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-1.602901" y3="3.947587" z3="-0.044578">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.267599" y3="4.252272" z3="0.002351">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="0.439145" y3="3.009535" z3="0.026724">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.440704" y3="1.927156" z3="-0.002502">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-1.701867" y3="2.521276" z3="-0.041763">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="-3.947861" y3="-1.601054" z3="0.042583">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="-4.252417" y3="-0.265751" z3="-0.004262">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="-3.009629" y3="0.440854" z3="-0.027404">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="-1.927337" y3="-0.439058" z3="0.002608">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-2.521574" y3="-1.700156" z3="0.04102">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="3.946007" y3="1.602572" z3="0.044947">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="4.250473" y3="0.267259" z3="-0.001266">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="2.911234" y3="-1.829946" z3="-0.049869">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="-2.912954" y3="1.83127" z3="-0.052781">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="-1.831651" y3="-2.911315" z3="0.052245">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="1.829687" y3="2.912835" z3="0.052275">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="2.446956" y3="-4.633435" z3="-0.068119">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-0.199094" y3="-5.237023" z3="0.01354">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-2.448456" y3="4.63545" z3="-0.071829">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="0.196887" y3="5.238612" z3="0.011474">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="-4.635818" y3="-2.446559" z3="0.068945">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-5.238712" y3="0.198827" z3="-0.014242">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="4.633093" y3="2.448764" z3="0.071321">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="5.236831" y3="-0.197258" z3="-0.010543">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="-4.17138" y3="2.621475" z3="-0.112838">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="-4.735879" y3="2.940927" z3="-1.358566">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="-4.855568" y3="3.081207" z3="1.024524">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="-5.912377" y3="3.678703" z3="-1.470973">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="-6.036352" y3="3.821428" z3="0.933162">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="-6.564344" y3="4.121257" z3="-0.320739">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="-4.222717" y3="2.592205" z3="-2.259546">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="-6.3202" y3="3.908229" z3="-2.458267">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="-6.540752" y3="4.160811" z3="1.839893">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="-7.488042" y3="4.70058" z3="-0.391266">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="2.620146" y3="4.171173" z3="0.111613">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="2.937332" y3="4.738707" z3="1.356426">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="3.082776" y3="4.852219" z3="-1.026673">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="3.675647" y3="5.91498" z3="1.467629">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="3.823834" y3="6.032538" z3="-0.936463">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="4.120701" y3="6.563924" z3="0.316699">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="2.586784" y3="4.228185" z3="2.25822">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="3.903689" y3="6.324864" z3="2.454395">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="4.166321" y3="6.534034" z3="-1.843642">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="4.700437" y3="7.487446" z3="0.386157">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="4.169659" y3="-2.620171" z3="-0.110307">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="4.854336" y3="-3.080061" z3="1.026652">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="4.733456" y3="-2.939567" z3="-1.356267">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="6.034735" y3="-3.820834" z3="0.934478">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="5.90962" y3="-3.677725" z3="-1.469337">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="6.562356" y3="-4.12022" z3="-0.319522">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="4.219649" y3="-2.590807" z3="-2.256862">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="6.538814" y3="-4.160768" z3="1.841194">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="6.316461" y3="-3.907598" z3="-2.456951">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="7.485848" y3="-4.69968" z3="-0.391501">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="-2.621951" y3="-4.169729" z3="0.111711">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="-3.08037" y3="-4.854279" z3="-1.025972">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="-2.942614" y3="-4.733834" z3="1.357201">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="-3.820857" y3="-6.034936" z3="-0.934928">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="-3.679692" y3="-5.910788" z3="1.469108">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="-4.122255" y3="-6.562376" z3="0.318663">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="-2.594739" y3="-4.220347" z3="2.258317">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="-4.159038" y3="-6.539269" z3="-1.842157">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="-3.909907" y3="-6.318311" z3="2.45636">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="-4.701798" y3="-7.485888" z3="0.389771">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="2.699329" y3="4.175912" z3="-2.768032">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="4.183824" y3="-2.692385" z3="2.76957">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="-2.690567" y3="-4.183318" z3="-2.768259">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="-4.183827" y3="2.693227" z3="2.766952">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.000877" y3="0.000688" z3="0.000837">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.0078,-.4395,-.0249;1.9256,.4405,.004;2.5196,1.7016,.0425;1.6008,-3.9463,-.0417;.2655,-4.2507,.0044;-.4412,-3.008,.0278;.4388,-1.9258,-.0012;1.7,-2.5199,-.0394;-1.6029,3.9476,-.0446;-.2676,4.2523,.0024;.4391,3.0095,.0267;-.4407,1.9272,-.0025;-1.7019,2.5213,-.0418;-3.9479,-1.6011,.0426;-4.2524,-.2658,-.0043;-3.0096,.4409,-.0274;-1.9273,-.4391,.0026;-2.5216,-1.7002,.041;3.946,1.6026,.0449;4.2505,.2673,-.0013;2.9112,-1.8299,-.0499;-2.913,1.8313,-.0528;-1.8317,-2.9113,.0522;1.8297,2.9128,.0523;2.447,-4.6334,-.0681;-.1991,-5.237,.0135;-2.4485,4.6354,-.0718;.1969,5.2386,.0115;-4.6358,-2.4466,.0689;-5.2387,.1988,-.0142;4.6331,2.4488,.0713;5.2368,-.1973,-.0105;-4.1714,2.6215,-.1128;-4.7359,2.9409,-1.3586;-4.8556,3.0812,1.0245;-5.9124,3.6787,-1.471;-6.0364,3.8214,.9332;-6.5643,4.1213,-.3207;-4.2227,2.5922,-2.2595;-6.3202,3.9082,-2.4583;-6.5408,4.1608,1.8399;-7.488,4.7006,-.3913;2.6201,4.1712,.1116;2.9373,4.7387,1.3564;3.0828,4.8522,-1.0267;3.6756,5.915,1.4676;3.8238,6.0325,-.9365;4.1207,6.5639,.3167;2.5868,4.2282,2.2582;3.9037,6.3249,2.4544;4.1663,6.534,-1.8436;4.7004,7.4874,.3862;4.1697,-2.6202,-.1103;4.8543,-3.0801,1.0267;4.7335,-2.9396,-1.3563;6.0347,-3.8208,.9345;5.9096,-3.6777,-1.4693;6.5624,-4.1202,-.3195;4.2196,-2.5908,-2.2569;6.5388,-4.1608,1.8412;6.3165,-3.9076,-2.457;7.4858,-4.6997,-.3915;-2.622,-4.1697,.1117;-3.0804,-4.8543,-1.026;-2.9426,-4.7338,1.3572;-3.8209,-6.0349,-.9349;-3.6797,-5.9108,1.4691;-4.1223,-6.5624,.3187;-2.5947,-4.2203,2.2583;-4.159,-6.5393,-1.8422;-3.9099,-6.3183,2.4564;-4.7018,-7.4859,.3898;2.6993,4.1759,-2.768;4.1838,-2.6924,2.7696;-2.6906,-4.1833,-2.7683;-4.1838,2.6932,2.767;-.0009,.0007,.0008;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339660 0.0339481 0.0208586</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.261376" y3="-3.031139" z3="-0.036442">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="0.553618" y3="-1.903839" z3="-0.006275">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="1.851393" y3="-2.426187" z3="0.023806">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-3.855629" y3="-1.832496" z3="-0.01333">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-4.232503" y3="-0.519726" z3="0.025217">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-3.033201" y3="0.259666" z3="0.036972">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-1.905609" y3="-0.554712" z3="0.006518">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-2.427493" y3="-1.852486" z3="-0.023546">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="3.853427" y3="1.830078" z3="-0.015007">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="4.227966" y3="0.517051" z3="0.023785">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="3.028731" y3="-0.261148" z3="0.036041">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="1.902338" y3="0.554433" z3="0.005848">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="2.424513" y3="1.85167" z3="-0.024612">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="-1.833392" y3="3.854947" z3="0.013026">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="-0.520474" y3="4.230511" z3="-0.025917">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="0.259037" y3="3.031442" z3="-0.037466">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="-0.55609" y3="1.904418" z3="-0.006814">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-1.853858" y3="2.425884" z3="0.023416">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="1.830526" y3="-3.854637" z3="0.014502">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="0.517498" y3="-4.231035" z3="-0.023973">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-1.659075" y3="-3.017279" z3="-0.043498">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="1.656821" y3="3.017657" z3="-0.044597">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="-3.019351" y3="1.657649" z3="0.043755">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="3.016108" y3="-1.657632" z3="0.043151">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-4.495986" y3="-2.713991" z3="-0.032848">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-5.243409" y3="-0.113795" z3="0.036217">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="4.491187" y3="2.713313" z3="-0.035098">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="5.238641" y3="0.109961" z3="0.034525">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="-2.717089" y3="4.492044" z3="0.032746">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-0.11442" y3="5.241552" z3="-0.037188">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="2.711702" y3="-4.495455" z3="0.034542">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="0.11112" y3="-5.241751" z3="-0.034432">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="2.381022" y3="4.313834" z3="-0.07589">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="2.746356" y3="4.901177" z3="-1.297626">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="2.734594" y3="5.006402" z3="1.096418">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="3.43259" y3="6.109634" z3="-1.354927">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="3.418793" y3="6.222823" z3="1.056674">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="3.769818" y3="6.772473" z3="-0.175105">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="2.482434" y3="4.378916" z3="-2.222036">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="3.704016" y3="6.534516" z3="-2.323784">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="3.675501" y3="6.735932" z3="1.984468">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="4.307871" y3="7.72236" z3="-0.207958">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="4.314258" y3="-2.378139" z3="0.073853">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="4.89982" y3="-2.737754" z3="1.298982">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="5.010166" y3="-2.733232" z3="-1.094799">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="6.1099" y3="-3.420763" z3="1.360062">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="6.228474" y3="-3.414293" z3="-1.051555">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="6.776289" y3="-3.760213" z3="0.182587">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="4.373587" y3="-2.471458" z3="2.220286">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="6.533683" y3="-3.688161" z3="2.330651">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="6.743964" y3="-3.671894" z3="-1.97785">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="7.727473" y3="-4.295718" z3="0.218976">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-2.382092" y3="-4.313986" z3="-0.075102">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-2.734443" y3="-5.007142" z3="1.09746">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-2.747714" y3="-4.902142" z3="-1.297228">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-3.417358" y3="-6.224186" z3="1.058872">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-3.432987" y3="-6.111349" z3="-1.354206">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-3.768617" y3="-6.774181" z3="-0.173903">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-2.485113" y3="-4.380258" z3="-2.222249">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-3.673673" y3="-6.73922" z3="1.985605">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-3.704869" y3="-6.537242" z3="-2.322522">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-4.305683" y3="-7.72482" z3="-0.202333">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="-4.315689" y3="2.381343" z3="0.075011">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="-5.008428" y3="2.733705" z3="-1.097389">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="-4.903924" y3="2.747652" z3="1.296871">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="-6.225117" y3="3.41733" z3="-1.059185">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="-6.112862" y3="3.433447" z3="1.353643">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="-6.775395" y3="3.769369" z3="0.173281">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="-4.382166" y3="2.484944" z3="2.221953">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="-6.739714" y3="3.673922" z3="-1.986106">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="-6.538822" y3="3.705863" z3="2.321786">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="-7.725715" y3="4.306956" z3="0.201457">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="4.297717" y3="-2.261516" z3="-2.811168">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-2.256106" y3="-4.289971" z3="2.808543">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="-4.291106" y3="2.255437" z3="-2.808313">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="2.25814" y3="4.290849" z3="2.808579">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.001525" y3="0.000223" z3="-0.000141">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2614,-3.0311,-.0364;.5536,-1.9038,-.0063;1.8514,-2.4262,.0238;-3.8556,-1.8325,-.0133;-4.2325,-.5197,.0252;-3.0332,.2597,.037;-1.9056,-.5547,.0065;-2.4275,-1.8525,-.0235;3.8534,1.8301,-.015;4.228,.5171,.0238;3.0287,-.2611,.036;1.9023,.5544,.0058;2.4245,1.8517,-.0246;-1.8334,3.8549,.013;-.5205,4.2305,-.0259;.259,3.0314,-.0375;-.5561,1.9044,-.0068;-1.8539,2.4259,.0234;1.8305,-3.8546,.0145;.5175,-4.231,-.024;-1.6591,-3.0173,-.0435;1.6568,3.0177,-.0446;-3.0194,1.6576,.0438;3.0161,-1.6576,.0432;-4.496,-2.714,-.0328;-5.2434,-.1138,.0362;4.4912,2.7133,-.0351;5.2386,.11,.0345;-2.7171,4.492,.0327;-.1144,5.2416,-.0372;2.7117,-4.4955,.0345;.1111,-5.2418,-.0344;2.381,4.3138,-.0759;2.7464,4.9012,-1.2976;2.7346,5.0064,1.0964;3.4326,6.1096,-1.3549;3.4188,6.2228,1.0567;3.7698,6.7725,-.1751;2.4824,4.3789,-2.222;3.704,6.5345,-2.3238;3.6755,6.7359,1.9845;4.3079,7.7224,-.208;4.3143,-2.3781,.0739;4.8998,-2.7378,1.299;5.0102,-2.7332,-1.0948;6.1099,-3.4208,1.3601;6.2285,-3.4143,-1.0516;6.7763,-3.7602,.1826;4.3736,-2.4715,2.2203;6.5337,-3.6882,2.3307;6.744,-3.6719,-1.9779;7.7275,-4.2957,.219;-2.3821,-4.314,-.0751;-2.7344,-5.0071,1.0975;-2.7477,-4.9021,-1.2972;-3.4174,-6.2242,1.0589;-3.433,-6.1113,-1.3542;-3.7686,-6.7742,-.1739;-2.4851,-4.3803,-2.2222;-3.6737,-6.7392,1.9856;-3.7049,-6.5372,-2.3225;-4.3057,-7.7248,-.2023;-4.3157,2.3813,.075;-5.0084,2.7337,-1.0974;-4.9039,2.7477,1.2969;-6.2251,3.4173,-1.0592;-6.1129,3.4334,1.3536;-6.7754,3.7694,.1733;-4.3822,2.4849,2.222;-6.7397,3.6739,-1.9861;-6.5388,3.7059,2.3218;-7.7257,4.307,.2015;4.2977,-2.2615,-2.8112;-2.2561,-4.29,2.8085;-4.2911,2.2554,-2.8083;2.2581,4.2908,2.8086;-.0015,.0002,-.0001;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0342479 0.0342227 0.0211796</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.025886" y3="0.228108" z3="0.047462">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.884325" y3="-0.576185" z3="0.013541">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.389338" y3="-1.874369" z3="0.019945">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-1.864712" y3="3.822174" z3="-0.036435">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-0.551081" y3="4.217679" z3="-0.057129">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="0.239074" y3="3.02742" z3="-0.026371">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.56582" y3="1.885891" z3="0.005929">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.86374" y3="2.391308" z3="0.001994">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="1.878697" y3="-3.829658" z3="-0.05363">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="0.564947" y3="-4.227333" z3="-0.070073">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-0.225395" y3="-3.037071" z3="-0.032779">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.578184" y3="-1.894604" z3="-0.001785">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.876773" y3="-2.400269" z3="-0.012301">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.831888" y3="1.866903" z3="0.040421">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.229095" y3="0.553238" z3="0.057091">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="3.038387" y3="-0.236363" z3="0.028327">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.896114" y3="0.567735" z3="0.00252">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.402435" y3="1.865759" z3="0.007605">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.819987" y3="-1.875678" z3="0.059946">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.215618" y3="-0.562177" z3="0.080059">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-3.025188" y3="1.621209" z3="0.042949">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="3.036971" y3="-1.629376" z3="0.023207">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="1.631831" y3="3.02645" z3="-0.026697">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-1.619437" y3="-3.035378" z3="-0.025564">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-2.759697" y3="4.444975" z3="-0.04458">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-0.158738" y3="5.234207" z3="-0.101347">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="2.767483" y3="-4.461452" z3="-0.067576">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="0.173166" y3="-5.243782" z3="-0.114979">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.464206" y3="2.755392" z3="0.048279">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.245652" y3="0.161051" z3="0.095993">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.442667" y3="-2.770733" z3="0.068446">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.232174" y3="-0.169778" z3="0.124059">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="4.349702" y3="-2.325908" z3="0.006886">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.987731" y3="-2.588124" z3="-1.216759">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="5.027411" y3="-2.726222" z3="1.167141">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="6.224078" y3="-3.228815" z3="-1.284399">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="6.26457" y3="-3.371502" z3="1.12275">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="6.862482" y3="-3.626172" z3="-0.109702">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.486163" y3="-2.269406" z3="-2.135148">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="6.691514" y3="-3.417779" z3="-2.253926">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="6.762394" y3="-3.664851" z3="2.049106">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="7.832497" y3="-4.128421" z3="-0.139989">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-2.318029" y3="-4.347234" z3="-0.015082">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-2.570441" y3="-5.004553" z3="1.198633">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-2.733078" y3="-5.004585" z3="-1.184456">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-3.21485" y3="-6.239931" z3="1.254448">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-3.383612" y3="-6.238969" z3="-1.150947">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-3.624017" y3="-6.858494" z3="0.07377">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-2.243842" y3="-4.521467" z3="2.124396">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-3.397993" y3="-6.72004" z3="2.218688">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-3.694865" y3="-6.718762" z3="-2.081053">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-4.128612" y3="-7.827587" z3="0.093131">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-4.337763" y3="2.318252" z3="0.02339">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-5.021441" y3="2.715225" z3="1.18071">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.967587" y3="2.585589" z3="-1.202837">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-6.256808" y3="3.364576" z3="1.130067">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-6.20185" y3="3.229024" z3="-1.275336">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-6.848553" y3="3.62157" z3="-0.103132">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.458883" y3="2.270325" z3="-2.11845">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-6.753066" y3="3.658472" z3="2.057263">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-6.660372" y3="3.424885" z3="-2.247723">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-7.817625" y3="4.124486" z3="-0.146986">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="2.328971" y3="4.339066" z3="-0.012851">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="2.719185" y3="5.020165" z3="-1.174457">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="2.601752" y3="4.972181" z3="1.210377">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="3.366797" y3="6.256631" z3="-1.130569">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="3.238815" y3="6.210232" z3="1.27577">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="3.633611" y3="6.849193" z3="0.100154">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="2.290115" y3="4.466804" z3="2.129038">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="3.650348" y3="6.753389" z3="-2.060694">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="3.434307" y3="6.673855" z3="2.245793">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="4.137642" y3="7.81796" z3="0.138763">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-2.383582" y3="-4.22613" z3="-2.884164">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-4.282684" y3="2.338251" z3="2.894503">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="2.329973" y3="4.277819" z3="-2.884039">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.27774" y3="-2.35127" z3="2.877286">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.00587" y3="-0.004142" z3="0.005498">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.0259,.2281,.0475;-1.8843,-.5762,.0135;-2.3893,-1.8744,.0199;-1.8647,3.8222,-.0364;-.5511,4.2177,-.0571;.2391,3.0274,-.0264;-.5658,1.8859,.0059;-1.8637,2.3913,.002;1.8787,-3.8297,-.0536;.5649,-4.2273,-.0701;-.2254,-3.0371,-.0328;.5782,-1.8946,-.0018;1.8768,-2.4003,-.0123;3.8319,1.8669,.0404;4.2291,.5532,.0571;3.0384,-.2364,.0283;1.8961,.5677,.0025;2.4024,1.8658,.0076;-3.82,-1.8757,.0599;-4.2156,-.5622,.0801;-3.0252,1.6212,.0429;3.037,-1.6294,.0232;1.6318,3.0265,-.0267;-1.6194,-3.0354,-.0256;-2.7597,4.445,-.0446;-.1587,5.2342,-.1013;2.7675,-4.4615,-.0676;.1732,-5.2438,-.115;4.4642,2.7554,.0483;5.2457,.1611,.096;-4.4427,-2.7707,.0684;-5.2322,-.1698,.1241;4.3497,-2.3259,.0069;4.9877,-2.5881,-1.2168;5.0274,-2.7262,1.1671;6.2241,-3.2288,-1.2844;6.2646,-3.3715,1.1227;6.8625,-3.6262,-.1097;4.4862,-2.2694,-2.1351;6.6915,-3.4178,-2.2539;6.7624,-3.6649,2.0491;7.8325,-4.1284,-.14;-2.318,-4.3472,-.0151;-2.5704,-5.0046,1.1986;-2.7331,-5.0046,-1.1845;-3.2149,-6.2399,1.2544;-3.3836,-6.239,-1.1509;-3.624,-6.8585,.0738;-2.2438,-4.5215,2.1244;-3.398,-6.72,2.2187;-3.6949,-6.7188,-2.0811;-4.1286,-7.8276,.0931;-4.3378,2.3183,.0234;-5.0214,2.7152,1.1807;-4.9676,2.5856,-1.2028;-6.2568,3.3646,1.1301;-6.2019,3.229,-1.2753;-6.8486,3.6216,-.1031;-4.4589,2.2703,-2.1185;-6.7531,3.6585,2.0573;-6.6604,3.4249,-2.2477;-7.8176,4.1245,-.147;2.329,4.3391,-.0129;2.7192,5.0202,-1.1745;2.6018,4.9722,1.2104;3.3668,6.2566,-1.1306;3.2388,6.2102,1.2758;3.6336,6.8492,.1002;2.2901,4.4668,2.129;3.6503,6.7534,-2.0607;3.4343,6.6739,2.2458;4.1376,7.818,.1388;-2.3836,-4.2261,-2.8842;-4.2827,2.3383,2.8945;2.33,4.2778,-2.884;4.2777,-2.3513,2.8773;.0059,-.0041,.0055;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339332 0.0338181 0.0211301</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.637182" y3="1.513419" z3="-0.023933">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.953514" y3="0.298137" z3="0.001255">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.969475" y3="-0.657508" z3="0.035557">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.041311" y3="4.259575" z3="-0.033396">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="1.31196" y3="4.052712" z3="0.009784">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="1.513865" y3="2.637336" z3="0.024342">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.298692" y3="1.953544" z3="-0.001164">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-0.657003" y3="2.96945" z3="-0.034945">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.041416" y3="-4.260069" z3="-0.03463">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-1.311775" y3="-4.052861" z3="0.008592">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-1.513578" y3="-2.637581" z3="0.024147">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.298254" y3="-1.954116" z3="-0.001496">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="0.657418" y3="-2.969973" z3="-0.035805">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.26017" y3="0.041257" z3="0.033106">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.053096" y3="-1.31199" z3="-0.010212">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.637759" y3="-1.514041" z3="-0.025125">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.954167" y3="-0.298758" z3="0.000476">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.969949" y3="0.657066" z3="0.034663">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.25956" y3="-0.041605" z3="0.035257">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.052615" y3="1.311667" z3="-0.008119">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.036986" y3="2.771588" z3="-0.04409">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.037576" y3="-2.77225" z3="-0.045345">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.772102" y3="2.037168" z3="0.044324">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.771624" y3="-2.037544" z3="0.044669">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-0.575623" y3="5.20973" z3="-0.054259">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="2.106296" y3="4.799383" z3="0.022856">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="0.576194" y3="-5.209919" z3="-0.056039">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-2.106231" y3="-4.799461" z3="0.02124">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.209951" y3="0.576174" z3="0.054283">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.799804" y3="-2.10632" z3="-0.023152">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.209752" y3="-0.575802" z3="0.057185">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.799219" y3="2.106077" z3="-0.020302">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="2.917826" y3="-3.969962" z3="-0.094148">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="3.335086" y3="-4.484117" z3="-1.332656">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="3.372072" y3="-4.642725" z3="1.052595">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="4.157496" y3="-5.604263" z3="-1.429087">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="4.194839" y3="-5.768937" z3="0.97705">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="4.588151" y3="-6.249169" z3="-0.270305">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="2.995103" y3="-3.977509" z3="-2.240699">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="4.46111" y3="-5.974338" z3="-2.411159">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="4.526578" y3="-6.267096" z3="1.890306">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="5.231968" y3="-7.129816" z3="-0.329873">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.969024" y3="-2.918153" z3="0.093133">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-4.479754" y3="-3.339035" z3="1.331921">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.644407" y3="-3.369556" z3="-1.053038">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-5.599297" y3="-4.162254" z3="1.428723">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-5.769958" y3="-4.193275" z3="-0.977121">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-6.247353" y3="-4.589569" z3="0.270392">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.97061" y3="-3.001334" z3="2.23938">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-5.966607" y3="-4.468975" z3="2.410883">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-6.269805" y3="-4.523224" z3="-1.890115">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-7.127551" y3="-5.233965" z3="0.330359">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-2.917311" y3="3.969241" z3="-0.092289">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-3.370963" y3="4.641864" z3="1.054815">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-3.33549" y3="4.483503" z3="-1.330615">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-4.194312" y3="5.767718" z3="0.980068">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-4.158462" y3="5.603329" z3="-1.4264">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-4.588087" y3="6.248274" z3="-0.267203">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-2.99622" y3="3.977051" z3="-2.239017">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-4.52606" y3="6.265748" z3="1.893384">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-4.463231" y3="5.973303" z3="-2.408157">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-5.23222" y3="7.128782" z3="-0.325498">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.969726" y3="2.917524" z3="0.09301">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.642467" y3="3.371564" z3="-1.053811">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="4.484193" y3="3.334878" z3="1.331519">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="5.768571" y3="4.194537" z3="-0.978633">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="5.604931" y3="4.156575" z3="1.427784">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="6.248724" y3="4.588382" z3="0.26878">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.977864" y3="2.99494" z3="2.239742">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="6.266891" y3="4.526351" z3="-1.891769">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="5.975434" y3="4.460195" z3="2.4097">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="7.129294" y3="5.232396" z3="0.327402">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.029034" y3="-2.860771" z3="-2.785957">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-2.86446" y3="4.022673" z3="2.786696">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.023318" y3="2.866022" z3="-2.78597">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="2.866967" y3="-4.02389" z3="2.784993">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000314" y3="-0.000321" z3="-0.000453">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.6372,1.5134,-.0239;-1.9535,.2981,.0013;-2.9695,-.6575,.0356;-.0413,4.2596,-.0334;1.312,4.0527,.0098;1.5139,2.6373,.0243;.2987,1.9535,-.0012;-.657,2.9695,-.0349;.0414,-4.2601,-.0346;-1.3118,-4.0529,.0086;-1.5136,-2.6376,.0241;-.2983,-1.9541,-.0015;.6574,-2.97,-.0358;4.2602,.0413,.0331;4.0531,-1.312,-.0102;2.6378,-1.514,-.0251;1.9542,-.2988,.0005;2.9699,.6571,.0347;-4.2596,-.0416,.0353;-4.0526,1.3117,-.0081;-2.037,2.7716,-.0441;2.0376,-2.7723,-.0453;2.7721,2.0372,.0443;-2.7716,-2.0375,.0447;-.5756,5.2097,-.0543;2.1063,4.7994,.0229;.5762,-5.2099,-.056;-2.1062,-4.7995,.0212;5.21,.5762,.0543;4.7998,-2.1063,-.0232;-5.2098,-.5758,.0572;-4.7992,2.1061,-.0203;2.9178,-3.97,-.0941;3.3351,-4.4841,-1.3327;3.3721,-4.6427,1.0526;4.1575,-5.6043,-1.4291;4.1948,-5.7689,.977;4.5882,-6.2492,-.2703;2.9951,-3.9775,-2.2407;4.4611,-5.9743,-2.4112;4.5266,-6.2671,1.8903;5.232,-7.1298,-.3299;-3.969,-2.9182,.0931;-4.4798,-3.339,1.3319;-4.6444,-3.3696,-1.053;-5.5993,-4.1623,1.4287;-5.77,-4.1933,-.9771;-6.2474,-4.5896,.2704;-3.9706,-3.0013,2.2394;-5.9666,-4.469,2.4109;-6.2698,-4.5232,-1.8901;-7.1276,-5.234,.3304;-2.9173,3.9692,-.0923;-3.371,4.6419,1.0548;-3.3355,4.4835,-1.3306;-4.1943,5.7677,.9801;-4.1585,5.6033,-1.4264;-4.5881,6.2483,-.2672;-2.9962,3.9771,-2.239;-4.5261,6.2657,1.8934;-4.4632,5.9733,-2.4082;-5.2322,7.1288,-.3255;3.9697,2.9175,.093;4.6425,3.3716,-1.0538;4.4842,3.3349,1.3315;5.7686,4.1945,-.9786;5.6049,4.1566,1.4278;6.2487,4.5884,.2688;3.9779,2.9949,2.2397;6.2669,4.5264,-1.8918;5.9754,4.4602,2.4097;7.1293,5.2324,.3274;-4.029,-2.8608,-2.786;-2.8645,4.0227,2.7867;4.0233,2.866,-2.786;2.867,-4.0239,2.785;.0003,-.0003,-.0005;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340151 0.0340047 0.0209442</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.889556" y3="0.945127" z3="-0.005878">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.970683" y3="-0.105562" z3="0.00616">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.769394" y3="-1.247555" z3="0.034468">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.908221" y3="4.158354" z3="-0.041249">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.460102" y3="4.233301" z3="-0.011918">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="0.946387" y3="2.889173" z3="0.00685">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.104301" y3="1.97029" z3="-0.005758">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.246276" y3="2.769071" z3="-0.03319">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.909497" y3="-4.160059" z3="-0.043127">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.458946" y3="-4.23535" z3="-0.013589">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-0.945414" y3="-2.891259" z3="0.006659">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.105224" y3="-1.972272" z3="-0.006091">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.247409" y3="-2.770965" z3="-0.034328">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.159582" y3="0.908089" z3="0.040867">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.23473" y3="-0.460348" z3="0.011236">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.890648" y3="-0.946774" z3="-0.00795">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.971748" y3="0.103906" z3="0.004865">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.770497" y3="1.246031" z3="0.032785">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.158643" y3="-0.909449" z3="0.044537">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.233634" y3="0.458852" z3="0.014902">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.557978" y3="2.297929" z3="-0.028168">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.559036" y3="-2.299585" z3="-0.030157">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.299173" y3="2.557671" z3="0.028769">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.298299" y3="-2.559356" z3="0.029494">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-1.627172" y3="4.978095" z3="-0.058329">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="1.085565" y3="5.126599" z3="-0.008299">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="1.627757" y3="-4.980392" z3="-0.061152">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-1.084182" y3="-5.128773" z3="-0.010624">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.979951" y3="1.62634" z3="0.058402">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.128081" y3="-1.085671" z3="0.00774">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.978375" y3="-1.628344" z3="0.063344">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.126931" y3="1.08433" z3="0.012721">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.66802" y3="-3.290543" z3="-0.073904">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.20931" y3="-3.676765" z3="-1.311256">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="4.229447" y3="-3.883144" z3="1.068712">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="5.250703" y3="-4.597606" z3="-1.409745">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="5.270046" y3="-4.812033" z3="0.992011">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="5.782356" y3="-5.16764" z3="-0.253764">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.790511" y3="-3.228942" z3="-2.217252">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="5.646244" y3="-4.870923" z3="-2.390902">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="5.678794" y3="-5.253604" z3="1.903605">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="6.597479" y3="-5.892762" z3="-0.313559">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.289639" y3="-3.667957" z3="0.072511">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-3.671227" y3="-4.215348" z3="1.308314">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-3.886711" y3="-4.223575" z3="-1.071015">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-4.592006" y3="-5.257064" z3="1.405197">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-4.815366" y3="-5.264438" z3="-0.995747">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-5.167245" y3="-5.782183" z3="0.248855">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.219708" y3="-3.801643" z3="2.214863">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-4.861309" y3="-5.657554" z3="2.385425">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-5.259982" y3="-5.669192" z3="-1.907646">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-5.892359" y3="-6.597423" z3="0.307244">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.666779" y3="3.289139" z3="-0.070572">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-4.227274" y3="3.88119" z3="1.072702">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.208843" y3="3.675975" z3="-1.307386">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-5.268376" y3="4.809789" z3="0.997197">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-5.25058" y3="4.596507" z3="-1.404567">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-5.781092" y3="5.16647" z3="-0.247878">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.790792" y3="3.228369" z3="-2.213831">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-5.676455" y3="5.250351" z3="1.909613">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-5.647197" y3="4.869858" z3="-2.385278">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-6.596396" y3="5.891393" z3="-0.307425">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.290184" y3="3.666643" z3="0.072326">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="3.882685" y3="4.227916" z3="-1.070403">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="3.676918" y3="4.207577" z3="1.309644">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="4.811585" y3="5.268656" z3="-0.993794">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="4.598882" y3="5.247971" z3="1.407987">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="5.167138" y3="5.781123" z3="0.251712">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.229376" y3="3.78859" z3="2.215683">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="5.252804" y3="5.677098" z3="-1.905726">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="4.872774" y3="5.643126" z3="2.389138">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="5.892133" y3="6.596314" z3="0.312071">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.438668" y3="-3.559642" z3="-2.799449">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.568634" y3="3.427874" z3="2.801864">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.429733" y3="3.570789" z3="-2.800233">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.572286" y3="-3.430369" z3="2.798645">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000515" y3="-0.000921" z3="-0.00046">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8896,.9451,-.0059;-1.9707,-.1056,.0062;-2.7694,-1.2476,.0345;-.9082,4.1584,-.0412;.4601,4.2333,-.0119;.9464,2.8892,.0069;-.1043,1.9703,-.0058;-1.2463,2.7691,-.0332;.9095,-4.1601,-.0431;-.4589,-4.2354,-.0136;-.9454,-2.8913,.0067;.1052,-1.9723,-.0061;1.2474,-2.771,-.0343;4.1596,.9081,.0409;4.2347,-.4603,.0112;2.8906,-.9468,-.008;1.9717,.1039,.0049;2.7705,1.246,.0328;-4.1586,-.9094,.0445;-4.2336,.4589,.0149;-2.558,2.2979,-.0282;2.559,-2.2996,-.0302;2.2992,2.5577,.0288;-2.2983,-2.5594,.0295;-1.6272,4.9781,-.0583;1.0856,5.1266,-.0083;1.6278,-4.9804,-.0612;-1.0842,-5.1288,-.0106;4.98,1.6263,.0584;5.1281,-1.0857,.0077;-4.9784,-1.6283,.0633;-5.1269,1.0843,.0127;3.668,-3.2905,-.0739;4.2093,-3.6768,-1.3113;4.2294,-3.8831,1.0687;5.2507,-4.5976,-1.4097;5.27,-4.812,.992;5.7824,-5.1676,-.2538;3.7905,-3.2289,-2.2173;5.6462,-4.8709,-2.3909;5.6788,-5.2536,1.9036;6.5975,-5.8928,-.3136;-3.2896,-3.668,.0725;-3.6712,-4.2153,1.3083;-3.8867,-4.2236,-1.071;-4.592,-5.2571,1.4052;-4.8154,-5.2644,-.9957;-5.1672,-5.7822,.2489;-3.2197,-3.8016,2.2149;-4.8613,-5.6576,2.3854;-5.26,-5.6692,-1.9076;-5.8924,-6.5974,.3072;-3.6668,3.2891,-.0706;-4.2273,3.8812,1.0727;-4.2088,3.676,-1.3074;-5.2684,4.8098,.9972;-5.2506,4.5965,-1.4046;-5.7811,5.1665,-.2479;-3.7908,3.2284,-2.2138;-5.6765,5.2504,1.9096;-5.6472,4.8699,-2.3853;-6.5964,5.8914,-.3074;3.2902,3.6666,.0723;3.8827,4.2279,-1.0704;3.6769,4.2076,1.3096;4.8116,5.2687,-.9938;4.5989,5.248,1.408;5.1671,5.7811,.2517;3.2294,3.7886,2.2157;5.2528,5.6771,-1.9057;4.8728,5.6431,2.3891;5.8921,6.5963,.3121;-3.4387,-3.5596,-2.7994;-3.5686,3.4279,2.8019;3.4297,3.5708,-2.8002;3.5723,-3.4304,2.7986;.0005,-.0009,-.0005;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339351 0.0339080 0.0209138</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.658933" y3="1.475169" z3="-0.026474">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.955693" y3="0.269867" z3="0.0066">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.955691" y3="-0.700268" z3="0.045157">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.10562" y3="4.255618" z3="-0.048944">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="1.252022" y3="4.070769" z3="-0.001472">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="1.474975" y3="2.65863" z3="0.024126">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.26961" y3="1.955513" z3="-0.00916">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-0.700547" y3="2.955599" z3="-0.047738">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.105747" y3="-4.255755" z3="-0.048482">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-1.251937" y3="-4.071306" z3="-0.001071">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-1.475232" y3="-2.659017" z3="0.024251">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.269918" y3="-1.955612" z3="-0.008584">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="0.700327" y3="-2.955586" z3="-0.046879">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.255399" y3="0.105496" z3="0.048797">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.070691" y3="-1.252116" z3="0.001332">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.658524" y3="-1.47505" z3="-0.024623">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.955276" y3="-0.269748" z3="0.007954">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.955351" y3="0.700342" z3="0.046656">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.255725" y3="-0.105592" z3="0.046885">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.071033" y3="1.25204" z3="-0.000478">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.077311" y3="2.74089" z3="-0.057297">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.076986" y3="-2.740773" z3="-0.055776">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.740668" y3="2.077015" z3="0.055614">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.741083" y3="-2.077074" z3="0.055324">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-0.655376" y3="5.197017" z3="-0.075095">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="2.035354" y3="4.829308" z3="0.012155">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="0.656485" y3="-5.196593" z3="-0.074574">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-2.035013" y3="-4.830072" z3="0.012412">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.196333" y3="0.656044" z3="0.07537">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.829223" y3="-2.03546" z3="-0.011724">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.197022" y3="-0.655503" z3="0.073549">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.829686" y3="2.035268" z3="-0.013494">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="2.976639" y3="-3.924846" z3="-0.115315">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="3.408042" y3="-4.403555" z3="-1.363387">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="3.434232" y3="-4.62209" z3="1.015605">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="4.249794" y3="-5.507571" z3="-1.484566">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="4.278958" y3="-5.730205" z3="0.91558">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="4.687684" y3="-6.172524" z3="-0.340426">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.062722" y3="-3.881211" z3="-2.260389">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="4.5634" y3="-5.848248" z3="-2.474239">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="4.613248" y3="-6.246542" z3="1.817746">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="5.347516" y3="-7.040035" z3="-0.418136">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.925648" y3="-2.976059" z3="0.115382">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-4.403001" y3="-3.409092" z3="1.363478">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.624421" y3="-3.431822" z3="-1.015185">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-5.507274" y3="-4.250394" z3="1.484775">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-5.732778" y3="-4.276177" z3="-0.915141">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-6.174025" y3="-4.68604" z3="0.340833">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.879038" y3="-3.065495" z3="2.260193">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-5.846656" y3="-4.565749" z3="2.474336">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-6.24958" y3="-4.609794" z3="-1.817249">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-7.041923" y3="-5.345334" z3="0.418759">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-2.976891" y3="3.925111" z3="-0.115252">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-3.433103" y3="4.621785" z3="1.01658">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-3.409994" y3="4.404228" z3="-1.362399">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-4.278345" y3="5.729571" z3="0.918106">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-4.25208" y3="5.508149" z3="-1.482034">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-4.688472" y3="6.17257" z3="-0.33712">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.066031" y3="3.882191" z3="-2.260099">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-4.612587" y3="6.245036" z3="1.820782">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-4.567502" y3="5.84884" z3="-2.471118">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-5.348497" y3="7.040089" z3="-0.413072">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.924817" y3="2.976571" z3="0.11519">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.622977" y3="3.433241" z3="-1.015608">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="4.402399" y3="3.409116" z3="1.363138">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="5.730861" y3="4.278138" z3="-0.915322">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="5.50661" y3="4.250526" z3="1.484568">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="6.172086" y3="4.687934" z3="0.340625">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.879308" y3="3.064642" z3="2.26003">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="6.248213" y3="4.611805" z3="-1.817131">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="5.846559" y3="4.564862" z3="2.474253">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="7.039435" y3="5.348019" z3="0.417968">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.080476" y3="-2.896735" z3="-2.761747">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-2.89712" y3="4.076611" z3="2.762599">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.080751" y3="2.897211" z3="-2.762544">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="2.899762" y3="-4.078121" z3="2.762364">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.000223" y3="-0.000024" z3="-0.000711">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.6589,1.4752,-.0265;-1.9557,.2699,.0066;-2.9557,-.7003,.0452;-.1056,4.2556,-.0489;1.252,4.0708,-.0015;1.475,2.6586,.0241;.2696,1.9555,-.0092;-.7005,2.9556,-.0477;.1057,-4.2558,-.0485;-1.2519,-4.0713,-.0011;-1.4752,-2.659,.0243;-.2699,-1.9556,-.0086;.7003,-2.9556,-.0469;4.2554,.1055,.0488;4.0707,-1.2521,.0013;2.6585,-1.475,-.0246;1.9553,-.2697,.008;2.9554,.7003,.0467;-4.2557,-.1056,.0469;-4.071,1.252,-.0005;-2.0773,2.7409,-.0573;2.077,-2.7408,-.0558;2.7407,2.077,.0556;-2.7411,-2.0771,.0553;-.6554,5.197,-.0751;2.0354,4.8293,.0122;.6565,-5.1966,-.0746;-2.035,-4.8301,.0124;5.1963,.656,.0754;4.8292,-2.0355,-.0117;-5.197,-.6555,.0735;-4.8297,2.0353,-.0135;2.9766,-3.9248,-.1153;3.408,-4.4036,-1.3634;3.4342,-4.6221,1.0156;4.2498,-5.5076,-1.4846;4.279,-5.7302,.9156;4.6877,-6.1725,-.3404;3.0627,-3.8812,-2.2604;4.5634,-5.8482,-2.4742;4.6132,-6.2465,1.8177;5.3475,-7.04,-.4181;-3.9256,-2.9761,.1154;-4.403,-3.4091,1.3635;-4.6244,-3.4318,-1.0152;-5.5073,-4.2504,1.4848;-5.7328,-4.2762,-.9151;-6.174,-4.686,.3408;-3.879,-3.0655,2.2602;-5.8467,-4.5657,2.4743;-6.2496,-4.6098,-1.8172;-7.0419,-5.3453,.4188;-2.9769,3.9251,-.1153;-3.4331,4.6218,1.0166;-3.41,4.4042,-1.3624;-4.2783,5.7296,.9181;-4.2521,5.5081,-1.482;-4.6885,6.1726,-.3371;-3.066,3.8822,-2.2601;-4.6126,6.245,1.8208;-4.5675,5.8488,-2.4711;-5.3485,7.0401,-.4131;3.9248,2.9766,.1152;4.623,3.4332,-1.0156;4.4024,3.4091,1.3631;5.7309,4.2781,-.9153;5.5066,4.2505,1.4846;6.1721,4.6879,.3406;3.8793,3.0646,2.26;6.2482,4.6118,-1.8171;5.8466,4.5649,2.4743;7.0394,5.348,.418;-4.0805,-2.8967,-2.7617;-2.8971,4.0766,2.7626;4.0808,2.8972,-2.7625;2.8998,-4.0781,2.7624;-.0002,0,-.0007;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0338794 0.0338635 0.0207783</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.647806" y3="1.494909" z3="-0.025146">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.954643" y3="0.284421" z3="0.003804">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.962905" y3="-0.678287" z3="0.040134">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.07251" y3="4.257816" z3="-0.04081">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="1.282914" y3="4.061604" z3="0.004419">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="1.495043" y3="2.647749" z3="0.024241">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.284584" y3="1.954581" z3="-0.004978">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-0.678161" y3="2.962857" z3="-0.041048">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.072625" y3="-4.258132" z3="-0.041243">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-1.282781" y3="-4.061929" z3="0.003976">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-1.495017" y3="-2.648053" z3="0.02419">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.284501" y3="-1.954918" z3="-0.004882">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="0.678274" y3="-2.963114" z3="-0.041092">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.25802" y3="0.072428" z3="0.040598">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.061764" y3="-1.282971" z3="-0.0047">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.647917" y3="-1.495166" z3="-0.024882">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.954791" y3="-0.284678" z3="0.004048">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.962996" y3="0.678101" z3="0.040391">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.257852" y3="-0.072645" z3="0.040798">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.061672" y3="1.282775" z3="-0.004478">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.056608" y3="2.756793" z3="-0.050389">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.056764" y3="-2.757072" z3="-0.05032">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.756951" y3="2.056568" z3="0.049714">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.756897" y3="-2.056783" z3="0.049745">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-0.614323" y3="5.203763" z3="-0.064194">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="2.071934" y3="4.81405" z3="0.017757">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="0.615149" y3="-5.203654" z3="-0.064885">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-2.071743" y3="-4.814447" z3="0.017022">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.203552" y3="0.614934" z3="0.06435">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.814227" y3="-2.071993" z3="-0.017696">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.20377" y3="-0.614472" z3="0.064982">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.814138" y3="2.071785" z3="-0.017059">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="2.946434" y3="-3.948226" z3="-0.104245">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="3.370611" y3="-4.445493" z3="-1.347405">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="3.402227" y3="-4.632669" z3="1.035062">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="4.202385" y3="-5.55798" z3="-1.455659">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="4.235615" y3="-5.750294" z3="0.947803">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="4.636459" y3="-6.212465" z3="-0.303786">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.028106" y3="-3.931371" z3="-2.250242">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="4.510902" y3="-5.914048" z3="-2.441437">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="4.568535" y3="-6.257123" z3="1.855847">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="5.288027" y3="-7.08687" z3="-0.372027">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.948119" y3="-2.946321" z3="0.103736">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-4.442938" y3="-3.373161" z3="1.34704">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.634659" y3="-3.39977" z3="-1.035094">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-5.555218" y3="-4.205149" z3="1.455538">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-5.752039" y3="-4.233484" z3="-0.94764">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-6.212206" y3="-4.63642" z3="0.304004">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.926721" y3="-3.032661" z3="2.249428">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-5.909216" y3="-4.516119" z3="2.441299">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-6.259971" y3="-4.565159" z3="-1.855509">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-7.086549" y3="-5.288037" z3="0.372552">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-2.946284" y3="3.947983" z3="-0.103242">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-3.401112" y3="4.632073" z3="1.036688">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-3.371749" y3="4.445501" z3="-1.345864">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-4.235049" y3="5.74935" z3="0.950586">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-4.203974" y3="5.55777" z3="-1.453043">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-4.6368" y3="6.212017" z3="-0.300587">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.030262" y3="3.931613" z3="-2.249221">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-4.567956" y3="6.255691" z3="1.858899">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-4.513959" y3="5.913795" z3="-2.438376">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-5.288623" y3="7.08635" z3="-0.367324">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.948095" y3="2.946246" z3="0.103598">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.632963" y3="3.401491" z3="-1.035698">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="4.44499" y3="3.371018" z3="1.346711">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="5.750427" y3="4.235065" z3="-0.948502">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="5.557886" y3="4.202254" z3="1.455004">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="6.212036" y3="4.636696" z3="0.3031">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.930658" y3="3.028943" z3="2.249594">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="6.257824" y3="4.567725" z3="-1.856317">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="5.913834" y3="4.511123" z3="2.440716">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="7.086328" y3="5.288485" z3="0.370676">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.053282" y3="-2.878116" z3="-2.774827">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-2.880214" y3="4.048089" z3="2.775649">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.050402" y3="2.881062" z3="-2.775275">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="2.882772" y3="-4.049449" z3="2.774653">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.00006" y3="-0.000175" z3="-0.000576">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.6478,1.4949,-.0251;-1.9546,.2844,.0038;-2.9629,-.6783,.0401;-.0725,4.2578,-.0408;1.2829,4.0616,.0044;1.495,2.6477,.0242;.2846,1.9546,-.005;-.6782,2.9629,-.041;.0726,-4.2581,-.0412;-1.2828,-4.0619,.004;-1.495,-2.6481,.0242;-.2845,-1.9549,-.0049;.6783,-2.9631,-.0411;4.258,.0724,.0406;4.0618,-1.283,-.0047;2.6479,-1.4952,-.0249;1.9548,-.2847,.004;2.963,.6781,.0404;-4.2579,-.0726,.0408;-4.0617,1.2828,-.0045;-2.0566,2.7568,-.0504;2.0568,-2.7571,-.0503;2.757,2.0566,.0497;-2.7569,-2.0568,.0497;-.6143,5.2038,-.0642;2.0719,4.814,.0178;.6151,-5.2037,-.0649;-2.0717,-4.8144,.017;5.2036,.6149,.0644;4.8142,-2.072,-.0177;-5.2038,-.6145,.065;-4.8141,2.0718,-.0171;2.9464,-3.9482,-.1042;3.3706,-4.4455,-1.3474;3.4022,-4.6327,1.0351;4.2024,-5.558,-1.4557;4.2356,-5.7503,.9478;4.6365,-6.2125,-.3038;3.0281,-3.9314,-2.2502;4.5109,-5.914,-2.4414;4.5685,-6.2571,1.8558;5.288,-7.0869,-.372;-3.9481,-2.9463,.1037;-4.4429,-3.3732,1.347;-4.6347,-3.3998,-1.0351;-5.5552,-4.2051,1.4555;-5.752,-4.2335,-.9476;-6.2122,-4.6364,.304;-3.9267,-3.0327,2.2494;-5.9092,-4.5161,2.4413;-6.26,-4.5652,-1.8555;-7.0865,-5.288,.3726;-2.9463,3.948,-.1032;-3.4011,4.6321,1.0367;-3.3717,4.4455,-1.3459;-4.235,5.7493,.9506;-4.204,5.5578,-1.453;-4.6368,6.212,-.3006;-3.0303,3.9316,-2.2492;-4.568,6.2557,1.8589;-4.514,5.9138,-2.4384;-5.2886,7.0864,-.3673;3.9481,2.9462,.1036;4.633,3.4015,-1.0357;4.445,3.371,1.3467;5.7504,4.2351,-.9485;5.5579,4.2023,1.455;6.212,4.6367,.3031;3.9307,3.0289,2.2496;6.2578,4.5677,-1.8563;5.9138,4.5111,2.4407;7.0863,5.2885,.3707;-4.0533,-2.8781,-2.7748;-2.8802,4.0481,2.7756;4.0504,2.8811,-2.7753;2.8828,-4.0494,2.7747;.0001,-.0002,-.0006;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339494 0.0339364 0.0208652</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.887636" y3="0.951011" z3="-0.012205">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.971911" y3="-0.101826" z3="0.005045">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.773622" y3="-1.242336" z3="0.035339">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.898594" y3="4.161681" z3="-0.039604">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.469477" y3="4.232863" z3="-0.006232">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="0.952683" y3="2.887447" z3="0.013904">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.100176" y3="1.971739" z3="-0.003978">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.240684" y3="2.77349" z3="-0.033503">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.900274" y3="-4.163509" z3="-0.042581">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.467838" y3="-4.23489" z3="-0.008676">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-0.951145" y3="-2.889498" z3="0.01295">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.101664" y3="-1.97371" z3="-0.004915">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.242257" y3="-2.77541" z3="-0.035552">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.163323" y3="0.898501" z3="0.03969">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.234602" y3="-0.469602" z3="0.005688">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.889201" y3="-0.952836" z3="-0.014717">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.973469" y3="0.099995" z3="0.003685">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.775227" y3="1.24054" z3="0.033754">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.16179" y3="-0.900262" z3="0.042926">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.233017" y3="0.467789" z3="0.009414">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.553021" y3="2.303734" z3="-0.033987">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.554541" y3="-2.305544" z3="-0.036731">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.305398" y3="2.552837" z3="0.035248">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.303916" y3="-2.554703" z3="0.035562">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-1.614777" y3="4.983623" z3="-0.059375">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="1.09682" y3="5.124669" z3="-0.001677">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="1.616085" y3="-4.985755" z3="-0.063437">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-1.095026" y3="-5.126785" z3="-0.004627">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.985612" y3="1.614287" z3="0.059872">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.126442" y3="-1.096869" z3="0.000897">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.9837" y3="-1.616445" z3="0.063873">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.124831" y3="1.09513" z3="0.00589">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.659519" y3="-3.300365" z3="-0.085062">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.185285" y3="-3.698768" z3="-1.325124">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="4.230624" y3="-3.886121" z3="1.056946">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="5.220281" y3="-4.625898" z3="-1.427615">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="5.267294" y3="-4.818727" z3="0.975618">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="5.762872" y3="-5.188045" z3="-0.272915">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.757889" y3="-3.256976" z3="-2.230057">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="5.602758" y3="-4.909856" z3="-2.410896">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="5.685163" y3="-5.253483" z3="1.88592">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="6.574104" y3="-5.917224" z3="-0.336061">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.298912" y3="-3.659521" z3="0.083088">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-3.692303" y3="-4.191429" z3="1.321986">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-3.889518" y3="-4.224739" z3="-1.059516">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-4.619262" y3="-5.226772" z3="1.423137">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-4.821993" y3="-5.261585" z3="-0.979462">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-5.186505" y3="-5.763208" z3="0.268088">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.246636" y3="-3.768907" z3="2.227327">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-4.899093" y3="-5.61416" z3="2.405667">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-5.260457" y3="-5.674993" z3="-1.890025">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-5.915624" y3="-6.574583" z3="0.330105">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.657976" y3="3.298631" z3="-0.081186">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-4.228495" y3="3.883774" z3="1.061376">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.184343" y3="3.69761" z3="-1.320804">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-5.265477" y3="4.816207" z3="0.981016">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-5.219545" y3="4.624577" z3="-1.422268">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-5.761569" y3="5.186215" z3="-0.266989">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.757384" y3="3.256216" z3="-2.226135">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-5.68289" y3="5.25022" z3="1.891896">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-5.602671" y3="4.908846" z3="-2.405205">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-6.572968" y3="5.915237" z3="-0.329731">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.300285" y3="3.657784" z3="0.08324">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="3.885525" y3="4.229047" z3="-1.058948">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="3.699364" y3="4.183194" z3="1.323218">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="4.818201" y3="5.265741" z3="-0.977821">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="4.626871" y3="5.21785" z3="1.425449">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="5.188045" y3="5.76109" z3="0.270532">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.258017" y3="3.755568" z3="2.228256">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="5.252452" y3="5.683607" z3="-1.888378">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="4.911419" y3="5.600023" z3="2.408677">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="5.917221" y3="6.57231" z3="0.333848">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.426332" y3="-3.581814" z3="-2.793545">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.592624" y3="3.413572" z3="2.796218">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.415327" y3="3.594504" z3="-2.794278">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.595825" y3="-3.416534" z3="2.792372">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000769" y3="-0.000948" z3="-0.000091">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8876,.951,-.0122;-1.9719,-.1018,.005;-2.7736,-1.2423,.0353;-.8986,4.1617,-.0396;.4695,4.2329,-.0062;.9527,2.8874,.0139;-.1002,1.9717,-.004;-1.2407,2.7735,-.0335;.9003,-4.1635,-.0426;-.4678,-4.2349,-.0087;-.9511,-2.8895,.0129;.1017,-1.9737,-.0049;1.2423,-2.7754,-.0356;4.1633,.8985,.0397;4.2346,-.4696,.0057;2.8892,-.9528,-.0147;1.9735,.1,.0037;2.7752,1.2405,.0338;-4.1618,-.9003,.0429;-4.233,.4678,.0094;-2.553,2.3037,-.034;2.5545,-2.3055,-.0367;2.3054,2.5528,.0352;-2.3039,-2.5547,.0356;-1.6148,4.9836,-.0594;1.0968,5.1247,-.0017;1.6161,-4.9858,-.0634;-1.095,-5.1268,-.0046;4.9856,1.6143,.0599;5.1264,-1.0969,.0009;-4.9837,-1.6164,.0639;-5.1248,1.0951,.0059;3.6595,-3.3004,-.0851;4.1853,-3.6988,-1.3251;4.2306,-3.8861,1.0569;5.2203,-4.6259,-1.4276;5.2673,-4.8187,.9756;5.7629,-5.188,-.2729;3.7579,-3.257,-2.2301;5.6028,-4.9099,-2.4109;5.6852,-5.2535,1.8859;6.5741,-5.9172,-.3361;-3.2989,-3.6595,.0831;-3.6923,-4.1914,1.322;-3.8895,-4.2247,-1.0595;-4.6193,-5.2268,1.4231;-4.822,-5.2616,-.9795;-5.1865,-5.7632,.2681;-3.2466,-3.7689,2.2273;-4.8991,-5.6142,2.4057;-5.2605,-5.675,-1.89;-5.9156,-6.5746,.3301;-3.658,3.2986,-.0812;-4.2285,3.8838,1.0614;-4.1843,3.6976,-1.3208;-5.2655,4.8162,.981;-5.2195,4.6246,-1.4223;-5.7616,5.1862,-.267;-3.7574,3.2562,-2.2261;-5.6829,5.2502,1.8919;-5.6027,4.9088,-2.4052;-6.573,5.9152,-.3297;3.3003,3.6578,.0832;3.8855,4.229,-1.0589;3.6994,4.1832,1.3232;4.8182,5.2657,-.9778;4.6269,5.2179,1.4254;5.188,5.7611,.2705;3.258,3.7556,2.2283;5.2525,5.6836,-1.8884;4.9114,5.6,2.4087;5.9172,6.5723,.3338;-3.4263,-3.5818,-2.7935;-3.5926,3.4136,2.7962;3.4153,3.5945,-2.7943;3.5958,-3.4165,2.7924;.0008,-.0009,-.0001;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339304 0.0339000 0.0208950</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.78537" y3="1.21872" z3="-0.019478">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.97297" y3="0.084715" z3="0.004831">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.878641" y3="-0.975222" z3="0.040651">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.502939" y3="4.22818" z3="-0.043828">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.865298" y3="4.170216" z3="-0.00088">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="1.21967" y3="2.78525" z3="0.0198">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.085716" y3="1.972823" z3="-0.004998">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-0.974233" y3="2.878516" z3="-0.040171">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.503718" y3="-4.229388" z3="-0.045682">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.864529" y3="-4.171414" z3="-0.002415">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-1.218933" y3="-2.786495" z3="0.01935">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.084923" y3="-1.97413" z3="-0.005449">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="0.975078" y3="-2.879751" z3="-0.041359">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.229209" y3="0.502805" z3="0.0436">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.171207" y3="-0.865447" z3="0.000253">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.786271" y3="-1.219918" z3="-0.020829">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.973912" y3="-0.085917" z3="0.004095">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.879535" y3="0.97411" z3="0.039783">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.228288" y3="-0.503837" z3="0.045752">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.170343" y3="0.864396" z3="0.002616">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.325019" y3="2.53405" z3="-0.046411">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.325927" y3="-2.535266" z3="-0.047972">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.53503" y3="2.324928" z3="0.046608">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.534218" y3="-2.326079" z3="0.046913">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-1.138222" y3="5.114064" z3="-0.067183">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="1.573902" y3="4.998836" z3="0.009499">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="1.139199" y3="-5.115097" z3="-0.069804">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-1.573094" y3="-5.000082" z3="0.007525">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.114906" y3="1.138324" z3="0.067426">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.999863" y3="-1.574012" z3="-0.010035">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.114168" y3="-1.139067" z3="0.070301">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.998955" y3="1.573023" z3="-0.006737">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.332139" y3="-3.629367" z3="-0.109175">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="3.813118" y3="-4.064961" z3="-1.354938">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="3.850326" y3="-4.275818" z3="1.02541">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="4.756243" y3="-5.083905" z3="-1.469946">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="4.794721" y3="-5.300758" z3="0.931397">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="5.248514" y3="-5.704135" z3="-0.322499">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.425279" y3="-3.577643" z3="-2.254314">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="5.106144" y3="-5.393967" z3="-2.457431">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="5.173801" y3="-5.780377" z3="1.836132">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="5.987761" y3="-6.505303" z3="-0.395801">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.628291" y3="-3.332286" z3="0.107739">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-4.059301" y3="-3.818456" z3="1.35306">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.27885" y3="-3.845741" z3="-1.026663">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-5.07788" y3="-4.76205" z3="1.467754">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-5.303396" y3="-4.7906" z3="-0.932931">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-5.702705" y3="-5.249113" z3="0.320557">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.568417" y3="-3.434516" z3="2.252171">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-5.384129" y3="-5.116295" z3="2.454881">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-5.78583" y3="-5.166388" z3="-1.837543">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-6.503692" y3="-5.988578" z3="0.393653">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.331222" y3="3.628214" z3="-0.106228">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-3.84819" y3="4.274246" z3="1.029142">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-3.813609" y3="4.064191" z3="-1.351374">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-4.793078" y3="5.298901" z3="0.936598">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-4.757157" y3="5.082908" z3="-1.464973">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-5.24795" y3="5.702932" z3="-0.316728">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.426904" y3="3.577123" z3="-2.251375">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-5.171671" y3="5.777904" z3="1.841866">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-5.108584" y3="5.393008" z3="-2.451906">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-5.987425" y3="6.504017" z3="-0.388624">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.62912" y3="3.331162" z3="0.107533">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.27551" y3="3.849033" z3="-1.027217">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="4.064926" y3="3.812375" z3="1.353185">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="5.300343" y3="4.793618" z3="-0.933573">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="5.084455" y3="4.754922" z3="1.467924">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="5.703648" y3="5.247922" z3="0.320195">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.577794" y3="3.424707" z3="2.252736">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="5.77997" y3="5.172568" z3="-1.838363">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="5.394863" y3="5.104927" z3="2.455267">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="6.504705" y3="5.987346" z3="0.392926">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.772728" y3="-3.258185" z3="-2.768777">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.264788" y3="3.762133" z3="2.770772">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.763988" y3="3.267091" z3="-2.769494">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.268949" y3="-3.764461" z3="2.767932">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000454" y3="-0.000642" z3="-0.000504">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7854,1.2187,-.0195;-1.973,.0847,.0048;-2.8786,-.9752,.0407;-.5029,4.2282,-.0438;.8653,4.1702,-.0009;1.2197,2.7853,.0198;.0857,1.9728,-.005;-.9742,2.8785,-.0402;.5037,-4.2294,-.0457;-.8645,-4.1714,-.0024;-1.2189,-2.7865,.0193;-.0849,-1.9741,-.0054;.9751,-2.8798,-.0414;4.2292,.5028,.0436;4.1712,-.8654,.0003;2.7863,-1.2199,-.0208;1.9739,-.0859,.0041;2.8795,.9741,.0398;-4.2283,-.5038,.0458;-4.1703,.8644,.0026;-2.325,2.5341,-.0464;2.3259,-2.5353,-.048;2.535,2.3249,.0466;-2.5342,-2.3261,.0469;-1.1382,5.1141,-.0672;1.5739,4.9988,.0095;1.1392,-5.1151,-.0698;-1.5731,-5.0001,.0075;5.1149,1.1383,.0674;4.9999,-1.574,-.01;-5.1142,-1.1391,.0703;-4.999,1.573,-.0067;3.3321,-3.6294,-.1092;3.8131,-4.065,-1.3549;3.8503,-4.2758,1.0254;4.7562,-5.0839,-1.4699;4.7947,-5.3008,.9314;5.2485,-5.7041,-.3225;3.4253,-3.5776,-2.2543;5.1061,-5.394,-2.4574;5.1738,-5.7804,1.8361;5.9878,-6.5053,-.3958;-3.6283,-3.3323,.1077;-4.0593,-3.8185,1.3531;-4.2789,-3.8457,-1.0267;-5.0779,-4.7621,1.4678;-5.3034,-4.7906,-.9329;-5.7027,-5.2491,.3206;-3.5684,-3.4345,2.2522;-5.3841,-5.1163,2.4549;-5.7858,-5.1664,-1.8375;-6.5037,-5.9886,.3937;-3.3312,3.6282,-.1062;-3.8482,4.2742,1.0291;-3.8136,4.0642,-1.3514;-4.7931,5.2989,.9366;-4.7572,5.0829,-1.465;-5.248,5.7029,-.3167;-3.4269,3.5771,-2.2514;-5.1717,5.7779,1.8419;-5.1086,5.393,-2.4519;-5.9874,6.504,-.3886;3.6291,3.3312,.1075;4.2755,3.849,-1.0272;4.0649,3.8124,1.3532;5.3003,4.7936,-.9336;5.0845,4.7549,1.4679;5.7036,5.2479,.3202;3.5778,3.4247,2.2527;5.78,5.1726,-1.8384;5.3949,5.1049,2.4553;6.5047,5.9873,.3929;-3.7727,-3.2582,-2.7688;-3.2648,3.7621,2.7708;3.764,3.2671,-2.7695;3.2689,-3.7645,2.7679;.0005,-.0006,-.0005;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339279 0.0339053 0.0208296</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.433869" y3="3.005341" z3="-0.115697">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.968676" y3="1.729408" z3="-0.006285">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.349454" y3="1.948036" z3="0.102497">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="3.344667" y3="2.649612" z3="-0.079087">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="4.000128" y3="1.465197" z3="0.089401">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="3.0074" y3="0.43504" z3="0.113989">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="1.731384" y3="0.968571" z3="0.00461">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="1.949588" y3="2.349222" z3="-0.104064">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-3.345628" y3="-2.646448" z3="-0.082238">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-3.997153" y3="-1.460924" z3="0.086979">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-3.004099" y3="-0.432956" z3="0.112337">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-1.729513" y3="-0.96896" z3="0.002834">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-1.948216" y3="-2.348508" z3="-0.107611">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="2.65005" y3="-3.346028" z3="0.079014">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="1.464982" y3="-3.999062" z3="-0.090369">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="0.434604" y3="-3.006768" z3="-0.116005">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="0.96974" y3="-1.73147" z3="-0.00604">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.350073" y3="-1.948834" z3="0.104024">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-2.64841" y3="3.344165" z3="0.077151">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-1.463498" y3="3.999165" z3="-0.091734">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="0.932488" y3="3.305737" z3="-0.202116">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="-0.93174" y3="-3.307574" z3="-0.204536">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.308053" y3="-0.931764" z3="0.201189">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.306017" y3="0.930539" z3="0.20006">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="3.773155" y3="3.648461" z3="-0.155207">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="5.073767" y3="1.29963" z3="0.162786">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-3.766274" y3="-3.648283" z3="-0.159658">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-5.070865" y3="-1.292942" z3="0.16051">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="3.652457" y3="-3.765285" z3="0.156527">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="1.298937" y3="-5.072931" z3="-0.163985">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-3.646884" y3="3.773559" z3="0.152492">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-1.297388" y3="5.07264" z3="-0.166011">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="-1.335862" y3="-4.708998" z3="-0.488148">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="-1.363086" y3="-5.179899" z3="-1.811655">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="-1.671799" y3="-5.628331" z3="0.522323">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="-1.718586" y3="-6.486213" z3="-2.122033">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="-2.024835" y3="-6.946419" z3="0.226891">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="-2.05227" y3="-7.373485" z3="-1.099802">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="-1.098068" y3="-4.484207" z3="-2.613535">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="-1.733256" y3="-6.810318" z3="-3.16456">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="-2.264984" y3="-7.637181" z3="1.034832">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="-2.322942" y3="-8.405718" z3="-1.331117">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.70933" y3="1.328049" z3="0.482691">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.174418" y3="1.335966" z3="1.810353">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.632644" y3="1.675523" z3="-0.517436">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.480469" y3="1.684492" z3="2.128689">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-6.951215" y3="2.022164" z3="-0.214401">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.372836" y3="2.030858" z3="1.114319">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.472321" y3="1.061068" z3="2.602894">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-6.801584" y3="1.684098" z3="3.172476">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.644687" y3="2.271184" z3="-1.017394">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.404477" y3="2.296987" z3="1.353381">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="1.335512" y3="4.707983" z3="-0.481935">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="1.678756" y3="5.621514" z3="0.532021">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="1.355353" y3="5.187286" z3="-1.803924">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="2.032135" y3="6.940562" z3="0.243512">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="1.710683" y3="6.495334" z3="-2.109298">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="2.052412" y3="7.375032" z3="-1.083375">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="1.084584" y3="4.497905" z3="-2.609382">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="2.277869" y3="7.629976" z3="1.050673">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="1.719208" y3="6.827033" z3="-3.149563">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="2.325143" y3="8.40966" z3="-1.301611">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.710086" y3="-1.334919" z3="0.48172">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.625683" y3="-1.671611" z3="-0.531475">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.18735" y3="-1.360187" z3="1.80439">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="6.945184" y3="-2.023238" z3="-0.24253">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.495223" y3="-1.715406" z3="2.110614">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.378275" y3="-2.048477" z3="1.084733">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.495737" y3="-1.094562" z3="2.609693">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.636199" y3="-2.264216" z3="-1.04981">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="6.825075" y3="-1.729322" z3="3.15142">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.413355" y3="-2.318874" z3="1.30346">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-5.12172" y3="1.632023" z3="-2.368929">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="1.612954" y3="5.091204" z3="2.374483">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="5.098588" y3="-1.597145" z3="-2.374274">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="-1.598217" y3="-5.11164" z3="2.368044">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000847" y3="-0.000819" z3="-0.001079">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4339,3.0053,-.1157;-.9687,1.7294,-.0063;-2.3495,1.948,.1025;3.3447,2.6496,-.0791;4.0001,1.4652,.0894;3.0074,.435,.114;1.7314,.9686,.0046;1.9496,2.3492,-.1041;-3.3456,-2.6464,-.0822;-3.9972,-1.4609,.087;-3.0041,-.433,.1123;-1.7295,-.969,.0028;-1.9482,-2.3485,-.1076;2.65,-3.346,.079;1.465,-3.9991,-.0904;.4346,-3.0068,-.116;.9697,-1.7315,-.006;2.3501,-1.9488,.104;-2.6484,3.3442,.0772;-1.4635,3.9992,-.0917;.9325,3.3057,-.2021;-.9317,-3.3076,-.2045;3.3081,-.9318,.2012;-3.306,.9305,.2001;3.7732,3.6485,-.1552;5.0738,1.2996,.1628;-3.7663,-3.6483,-.1597;-5.0709,-1.2929,.1605;3.6525,-3.7653,.1565;1.2989,-5.0729,-.164;-3.6469,3.7736,.1525;-1.2974,5.0726,-.166;-1.3359,-4.709,-.4881;-1.3631,-5.1799,-1.8117;-1.6718,-5.6283,.5223;-1.7186,-6.4862,-2.122;-2.0248,-6.9464,.2269;-2.0523,-7.3735,-1.0998;-1.0981,-4.4842,-2.6135;-1.7333,-6.8103,-3.1646;-2.265,-7.6372,1.0348;-2.3229,-8.4057,-1.3311;-4.7093,1.328,.4827;-5.1744,1.336,1.8104;-5.6326,1.6755,-.5174;-6.4805,1.6845,2.1287;-6.9512,2.0222,-.2144;-7.3728,2.0309,1.1143;-4.4723,1.0611,2.6029;-6.8016,1.6841,3.1725;-7.6447,2.2712,-1.0174;-8.4045,2.297,1.3534;1.3355,4.708,-.4819;1.6788,5.6215,.532;1.3554,5.1873,-1.8039;2.0321,6.9406,.2435;1.7107,6.4953,-2.1093;2.0524,7.375,-1.0834;1.0846,4.4979,-2.6094;2.2779,7.63,1.0507;1.7192,6.827,-3.1496;2.3251,8.4097,-1.3016;4.7101,-1.3349,.4817;5.6257,-1.6716,-.5315;5.1874,-1.3602,1.8044;6.9452,-2.0232,-.2425;6.4952,-1.7154,2.1106;7.3783,-2.0485,1.0847;4.4957,-1.0946,2.6097;7.6362,-2.2642,-1.0498;6.8251,-1.7293,3.1514;8.4134,-2.3189,1.3035;-5.1217,1.632,-2.3689;1.613,5.0912,2.3745;5.0986,-1.5971,-2.3743;-1.5982,-5.1116,2.368;.0008,-.0008,-.0011;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0338971 0.0338594 0.0200510</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.735566" y3="1.314411" z3="-0.102811">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.969975" y3="0.156415" z3="-0.00469">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.917261" y3="-0.867043" z3="0.09315">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.338768" y3="4.245254" z3="-0.06243">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="1.016238" y3="4.132787" z3="0.084282">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="1.317973" y3="2.735024" z3="0.105844">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.160414" y3="1.969217" z3="0.008016">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-0.863046" y3="2.916483" z3="-0.088999">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.33924" y3="-4.249797" z3="-0.068405">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-1.014959" y3="-4.135737" z3="0.080245">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-1.315721" y3="-2.738408" z3="0.103648">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.157719" y3="-1.97356" z3="0.005053">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="0.865015" y3="-2.920608" z3="-0.095094">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.249383" y3="0.33701" z3="0.063835">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.135747" y3="-1.017398" z3="-0.08465">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.738031" y3="-1.319271" z3="-0.106732">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.972907" y3="-0.161409" z3="-0.006892">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.91983" y3="0.861991" z3="0.091571">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.246156" y3="-0.342021" z3="0.06614">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.133556" y3="1.013017" z3="-0.08136">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.224436" y3="2.613512" z3="-0.174053">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.227154" y3="-2.618469" z3="-0.179851">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.617361" y3="2.223885" z3="0.176597">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.614024" y3="-2.228587" z3="0.177045">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-0.933943" y3="5.15616" z3="-0.127611">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="1.75322" y3="4.932728" z3="0.149415">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="0.938306" y3="-5.157885" z3="-0.135377">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-1.752939" y3="-4.935023" z3="0.145814">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.157171" y3="0.936656" z3="0.129797">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.935483" y3="-1.754698" z3="-0.151093">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.157275" y3="-0.93686" z3="0.130601">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.933399" y3="1.749995" z3="-0.147695">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.177224" y3="-3.737586" z3="-0.413826">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="3.570766" y3="-4.054825" z3="-1.724892">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="3.745208" y3="-4.50172" z3="0.618701">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="4.468135" y3="-5.081795" z3="-1.999999">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="4.649921" y3="-5.534222" z3="0.36217">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="5.008771" y3="-5.826273" z3="-0.952431">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.147947" y3="-3.467962" z3="-2.54578">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="4.744603" y3="-5.299513" z3="-3.033965">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="5.07971" y3="-6.099022" z3="1.19054">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="5.720917" y3="-6.630008" z3="-1.152201">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.731413" y3="-3.181057" z3="0.408712">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-4.032863" y3="-3.588129" z3="1.720397">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.508733" y3="-3.736701" z3="-0.619311">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-5.05689" y3="-4.487961" z3="1.997366">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-5.53919" y3="-4.643681" z3="-0.361101">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-5.814811" y3="-5.016889" z3="0.953008">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.43468" y3="-3.173547" z3="2.53713">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-5.262407" y3="-4.776158" z3="3.030735">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-6.114416" y3="-5.063242" z3="-1.187556">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-6.616978" y3="-5.730135" z3="1.155151">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.17504" y3="3.732784" z3="-0.404322">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-3.733731" y3="4.500741" z3="0.63082">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-3.578872" y3="4.047348" z3="-1.713447">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-4.638148" y3="5.53429" z3="0.379255">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-4.47683" y3="5.075259" z3="-1.984513">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-5.006885" y3="5.823559" z3="-0.934502">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.164162" y3="3.457901" z3="-2.536652">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-5.062064" y3="6.103099" z3="1.207775">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-4.761794" y3="5.29077" z3="-3.016666">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-5.718869" y3="6.629422" z3="-1.12634">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.736582" y3="3.174616" z3="0.406398">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.49875" y3="3.739188" z3="-0.629268">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="4.056189" y3="3.57341" z3="1.715881">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="5.531245" y3="4.645101" z3="-0.378517">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="5.083763" y3="4.471901" z3="1.986372">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="5.825683" y3="5.00906" z3="0.935405">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.471087" y3="3.15386" z3="2.53975">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="6.095433" y3="5.073665" z3="-1.207834">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="5.303782" y3="4.752431" z3="3.018792">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="6.630169" y3="5.722691" z3="1.126758">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.149409" y3="-3.294301" z3="-2.445851">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.303615" y3="4.116483" z3="2.453765">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.10608" y3="3.317027" z3="-2.452146">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.32894" y3="-4.115298" z3="2.444218">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.001461" y3="-0.002367" z3="0.000716">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7356,1.3144,-.1028;-1.97,.1564,-.0047;-2.9173,-.867,.0931;-.3388,4.2453,-.0624;1.0162,4.1328,.0843;1.318,2.735,.1058;.1604,1.9692,.008;-.863,2.9165,-.089;.3392,-4.2498,-.0684;-1.015,-4.1357,.0802;-1.3157,-2.7384,.1036;-.1577,-1.9736,.0051;.865,-2.9206,-.0951;4.2494,.337,.0638;4.1357,-1.0174,-.0847;2.738,-1.3193,-.1067;1.9729,-.1614,-.0069;2.9198,.862,.0916;-4.2462,-.342,.0661;-4.1336,1.013,-.0814;-2.2244,2.6135,-.1741;2.2272,-2.6185,-.1799;2.6174,2.2239,.1766;-2.614,-2.2286,.177;-.9339,5.1562,-.1276;1.7532,4.9327,.1494;.9383,-5.1579,-.1354;-1.7529,-4.935,.1458;5.1572,.9367,.1298;4.9355,-1.7547,-.1511;-5.1573,-.9369,.1306;-4.9334,1.75,-.1477;3.1772,-3.7376,-.4138;3.5708,-4.0548,-1.7249;3.7452,-4.5017,.6187;4.4681,-5.0818,-2;4.6499,-5.5342,.3622;5.0088,-5.8263,-.9524;3.1479,-3.468,-2.5458;4.7446,-5.2995,-3.034;5.0797,-6.099,1.1905;5.7209,-6.63,-1.1522;-3.7314,-3.1811,.4087;-4.0329,-3.5881,1.7204;-4.5087,-3.7367,-.6193;-5.0569,-4.488,1.9974;-5.5392,-4.6437,-.3611;-5.8148,-5.0169,.953;-3.4347,-3.1735,2.5371;-5.2624,-4.7762,3.0307;-6.1144,-5.0632,-1.1876;-6.617,-5.7301,1.1552;-3.175,3.7328,-.4043;-3.7337,4.5007,.6308;-3.5789,4.0473,-1.7134;-4.6381,5.5343,.3793;-4.4768,5.0753,-1.9845;-5.0069,5.8236,-.9345;-3.1642,3.4579,-2.5367;-5.0621,6.1031,1.2078;-4.7618,5.2908,-3.0167;-5.7189,6.6294,-1.1263;3.7366,3.1746,.4064;4.4988,3.7392,-.6293;4.0562,3.5734,1.7159;5.5312,4.6451,-.3785;5.0838,4.4719,1.9864;5.8257,5.0091,.9354;3.4711,3.1539,2.5398;6.0954,5.0737,-1.2078;5.3038,4.7524,3.0188;6.6302,5.7227,1.1268;-4.1494,-3.2943,-2.4459;-3.3036,4.1165,2.4538;4.1061,3.317,-2.4521;3.3289,-4.1153,2.4442;.0015,-.0024,.0007;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339306 0.0338899 0.0201752</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.863721" y3="0.979917" z3="-0.100595">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.961706" y3="-0.091736" z3="-0.003755">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.763101" y3="-1.216778" z3="0.091535">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.857206" y3="4.145135" z3="-0.060142">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.526198" y3="4.210067" z3="0.077667">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="0.988275" y3="2.858545" z3="0.103976">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.085556" y3="1.956907" z3="0.007037">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.211351" y3="2.757509" z3="-0.087576">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.873095" y3="-4.152929" z3="-0.065492">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.51158" y3="-4.225612" z3="0.073909">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-0.980405" y3="-2.871977" z3="0.102065">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.090494" y3="-1.966361" z3="0.004704">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.218557" y3="-2.76621" z3="-0.092149">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.148835" y3="0.85744" z3="0.064056">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.217888" y3="-0.525959" z3="-0.075263">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.866307" y3="-0.988522" z3="-0.102268">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.962328" y3="0.082782" z3="-0.004464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.763428" y3="1.207918" z3="0.091524">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.148725" y3="-0.865334" z3="0.06442">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.214152" y3="0.516444" z3="-0.073935">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.513862" y3="2.310971" z3="-0.164903">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.516396" y3="-2.318586" z3="-0.168263">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.317993" y3="2.507337" z3="0.168283">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.3182" y3="-2.518768" z3="0.168427">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-1.566602" y3="4.972367" z3="-0.122239">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="1.162014" y3="5.098813" z3="0.136537">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="1.585435" y3="-4.978295" z3="-0.128802">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-1.142476" y3="-5.116582" z3="0.132476">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.976512" y3="1.566897" z3="0.126779">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.107159" y3="-1.160368" z3="-0.134659">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.97542" y3="-1.575951" z3="0.126589">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.103354" y3="1.151391" z3="-0.133274">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.605735" y3="-3.315865" z3="-0.368175">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.057881" y3="-3.601576" z3="-1.661058">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="4.248389" y3="-4.000947" z3="0.6784">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="5.088711" y3="-4.526774" z3="-1.898109">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="5.276678" y3="-4.926059" z3="0.46946">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="5.694758" y3="-5.188918" z3="-0.826985">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.582863" y3="-3.081715" z3="-2.497126">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="5.415501" y3="-4.728688" z3="-2.922306">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="5.752047" y3="-5.431519" z3="1.319089">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="6.501226" y3="-5.908369" z3="-0.995919">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.320258" y3="-3.605218" z3="0.368292">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-3.602137" y3="-4.073454" z3="1.65421">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.016117" y3="-4.230554" z3="-0.683516">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-4.531602" y3="-5.101751" z3="1.884341">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-4.945005" y3="-5.255301" z3="-0.481508">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-5.202772" y3="-5.68903" z3="0.810111">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.075232" y3="-3.613554" z3="2.494584">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-4.729277" y3="-5.440874" z3="2.905098">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-5.457943" y3="-5.716855" z3="-1.333906">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-5.926132" y3="-6.493238" z3="0.972813">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.604544" y3="3.308398" z3="-0.362144">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-4.242391" y3="3.999311" z3="0.682787">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.061225" y3="3.586576" z3="-1.650551">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-5.270809" y3="4.924174" z3="0.471916">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-5.091627" y3="4.510559" z3="-1.887285">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-5.692739" y3="5.179744" z3="-0.818601">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.590073" y3="3.061558" z3="-2.485463">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-5.74218" y3="5.433783" z3="1.321673">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-5.422244" y3="4.706213" z3="-2.91126">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-6.498776" y3="5.898696" z3="-0.991008">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.317477" y3="3.595957" z3="0.365682">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.006078" y3="4.238644" z3="-0.680995">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="3.600519" y3="4.046845" z3="1.655182">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="4.93163" y3="5.265839" z3="-0.468116">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="4.525849" y3="5.075511" z3="1.892717">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="5.190917" y3="5.681362" z3="0.82382">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.078443" y3="3.572546" z3="2.490129">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="5.43902" y3="5.740873" z3="-1.317051">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="4.725601" y3="5.401335" z3="2.917448">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="5.910243" y3="6.486867" z3="0.99748">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.673094" y3="-3.690059" z3="-2.466158">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.722352" y3="3.658348" z3="2.474104">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.659833" y3="3.727099" z3="-2.474324">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.730715" y3="-3.649077" z3="2.468439">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000684" y3="-0.004839" z3="0.000946">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8637,.9799,-.1006;-1.9617,-.0917,-.0038;-2.7631,-1.2168,.0915;-.8572,4.1451,-.0601;.5262,4.2101,.0777;.9883,2.8585,.104;-.0856,1.9569,.007;-1.2114,2.7575,-.0876;.8731,-4.1529,-.0655;-.5116,-4.2256,.0739;-.9804,-2.872,.1021;.0905,-1.9664,.0047;1.2186,-2.7662,-.0921;4.1488,.8574,.0641;4.2179,-.526,-.0753;2.8663,-.9885,-.1023;1.9623,.0828,-.0045;2.7634,1.2079,.0915;-4.1487,-.8653,.0644;-4.2142,.5164,-.0739;-2.5139,2.311,-.1649;2.5164,-2.3186,-.1683;2.318,2.5073,.1683;-2.3182,-2.5188,.1684;-1.5666,4.9724,-.1222;1.162,5.0988,.1365;1.5854,-4.9783,-.1288;-1.1425,-5.1166,.1325;4.9765,1.5669,.1268;5.1072,-1.1604,-.1347;-4.9754,-1.576,.1266;-5.1034,1.1514,-.1333;3.6057,-3.3159,-.3682;4.0579,-3.6016,-1.6611;4.2484,-4.0009,.6784;5.0887,-4.5268,-1.8981;5.2767,-4.9261,.4695;5.6948,-5.1889,-.827;3.5829,-3.0817,-2.4971;5.4155,-4.7287,-2.9223;5.752,-5.4315,1.3191;6.5012,-5.9084,-.9959;-3.3203,-3.6052,.3683;-3.6021,-4.0735,1.6542;-4.0161,-4.2306,-.6835;-4.5316,-5.1018,1.8843;-4.945,-5.2553,-.4815;-5.2028,-5.689,.8101;-3.0752,-3.6136,2.4946;-4.7293,-5.4409,2.9051;-5.4579,-5.7169,-1.3339;-5.9261,-6.4932,.9728;-3.6045,3.3084,-.3621;-4.2424,3.9993,.6828;-4.0612,3.5866,-1.6506;-5.2708,4.9242,.4719;-5.0916,4.5106,-1.8873;-5.6927,5.1797,-.8186;-3.5901,3.0616,-2.4855;-5.7422,5.4338,1.3217;-5.4222,4.7062,-2.9113;-6.4988,5.8987,-.991;3.3175,3.596,.3657;4.0061,4.2386,-.681;3.6005,4.0468,1.6552;4.9316,5.2658,-.4681;4.5258,5.0755,1.8927;5.1909,5.6814,.8238;3.0784,3.5725,2.4901;5.439,5.7409,-1.3171;4.7256,5.4013,2.9174;5.9102,6.4869,.9975;-3.6731,-3.6901,-2.4662;-3.7224,3.6583,2.4741;3.6598,3.7271,-2.4743;3.7307,-3.6491,2.4684;.0007,-.0048,.0009;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0342460 0.0341082 0.0203583</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.020461" y3="0.296538" z3="-0.099341">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.897049" y3="-0.529181" z3="-0.00407">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.432394" y3="-1.809636" z3="0.090929">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-1.775558" y3="3.860698" z3="-0.059594">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-0.46578" y3="4.227703" z3="0.074535">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="0.300296" y3="3.019598" z3="0.101847">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.525524" y3="1.896064" z3="0.006802">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.805874" y3="2.43173" z3="-0.087003">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="1.77578" y3="-3.866085" z3="-0.063563">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="0.465935" y3="-4.233139" z3="0.072712">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-0.298297" y3="-3.02453" z3="0.101358">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.527091" y3="-1.900869" z3="0.005091">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.806808" y3="-2.43763" z3="-0.091205">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.865036" y3="1.773462" z3="0.061052">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.232507" y3="0.463563" z3="-0.074711">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="3.023574" y3="-0.301461" z3="-0.102196">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.89968" y3="0.5240" z3="-0.005768">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.436434" y3="1.8042" z3="0.089261">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.861645" y3="-1.779598" z3="0.063818">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.228625" y3="-0.469593" z3="-0.071416">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.986066" y3="1.689989" z3="-0.163885">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.988168" y3="-1.695133" z3="-0.16806">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="1.693935" y3="2.985089" z3="0.166104">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-1.689978" y3="-2.989753" z3="0.167664">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-2.651905" y3="4.507089" z3="-0.120803">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-0.052767" y3="5.235341" z3="0.132263">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="2.650448" y3="-4.514515" z3="-0.1259">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="0.052183" y3="-5.240369" z3="0.130949">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.513371" y3="2.648363" z3="0.122535">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.239732" y3="0.050035" z3="-0.133422">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.507902" y3="-2.655909" z3="0.125377">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.236259" y3="-0.056596" z3="-0.129667">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="4.274804" y3="-2.417895" z3="-0.363617">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.782717" y3="-2.595458" z3="-1.661289">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="5.049284" y3="-2.934512" z3="0.689075">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="5.985436" y3="-3.255328" z3="-1.899146">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="6.2573" y3="-3.598973" z3="0.473548">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="6.724184" y3="-3.759942" z3="-0.831216">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.20269" y3="-2.198398" z3="-2.499293">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="6.347017" y3="-3.376925" z3="-2.923185">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="6.834061" y3="-3.981963" z3="1.318638">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="7.671755" y3="-4.276403" z3="-1.003133">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-2.411082" y3="-4.276923" z3="0.363075">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-2.575847" y3="-4.797903" z3="1.656834">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-2.940067" y3="-5.041344" z3="-0.692655">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-3.234239" y3="-6.0025" z3="1.890989">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-3.60307" y3="-6.250735" z3="-0.48076">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-3.750762" y3="-6.730404" z3="0.821346">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-2.169644" y3="-4.227106" z3="2.496963">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-3.345083" y3="-6.373702" z3="2.912714">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-3.995174" y3="-6.819468" z3="-1.327091">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-4.266476" y3="-7.679039" z3="0.98966">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-4.273252" y3="2.412659" z3="-0.356423">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-5.042071" y3="2.935699" z3="0.697104">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.787594" y3="2.583271" z3="-1.653694">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-6.25059" y3="3.600701" z3="0.482856">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-5.990702" y3="3.243127" z3="-1.889858">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-6.72416" y3="3.755435" z3="-0.82123">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.211737" y3="2.180546" z3="-2.491856">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-6.822343" y3="3.988118" z3="1.329496">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-6.356534" y3="3.358675" z3="-2.913098">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-7.671446" y3="4.272124" z3="-0.993876">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="2.416549" y3="4.272459" z3="0.358639">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="2.933244" y3="5.044317" z3="-0.695543">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="2.592823" y3="4.783462" z3="1.656214">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="3.59715" y3="6.253421" z3="-0.481605">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="3.252281" y3="5.986985" z3="1.89226">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="3.757364" y3="6.723913" z3="0.822944">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="2.195127" y3="4.204887" z3="2.494895">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="3.979795" y3="6.827748" z3="-1.328653">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="3.372711" y3="6.350198" z3="2.915866">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="4.272869" y3="7.671929" z3="0.99533">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-2.736965" y3="-4.441574" z3="-2.485642">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-4.453911" y3="2.7207" z3="2.493716">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="2.710446" y3="4.459519" z3="-2.492392">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.466549" y3="-2.711194" z3="2.486585">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.001193" y3="-0.002417" z3="0.000564">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.0205,.2965,-.0993;-1.897,-.5292,-.0041;-2.4324,-1.8096,.0909;-1.7756,3.8607,-.0596;-.4658,4.2277,.0745;.3003,3.0196,.1018;-.5255,1.8961,.0068;-1.8059,2.4317,-.087;1.7758,-3.8661,-.0636;.4659,-4.2331,.0727;-.2983,-3.0245,.1014;.5271,-1.9009,.0051;1.8068,-2.4376,-.0912;3.865,1.7735,.0611;4.2325,.4636,-.0747;3.0236,-.3015,-.1022;1.8997,.524,-.0058;2.4364,1.8042,.0893;-3.8616,-1.7796,.0638;-4.2286,-.4696,-.0714;-2.9861,1.69,-.1639;2.9882,-1.6951,-.1681;1.6939,2.9851,.1661;-1.69,-2.9898,.1677;-2.6519,4.5071,-.1208;-.0528,5.2353,.1323;2.6504,-4.5145,-.1259;.0522,-5.2404,.1309;4.5134,2.6484,.1225;5.2397,.05,-.1334;-4.5079,-2.6559,.1254;-5.2363,-.0566,-.1297;4.2748,-2.4179,-.3636;4.7827,-2.5955,-1.6613;5.0493,-2.9345,.6891;5.9854,-3.2553,-1.8991;6.2573,-3.599,.4735;6.7242,-3.7599,-.8312;4.2027,-2.1984,-2.4993;6.347,-3.3769,-2.9232;6.8341,-3.982,1.3186;7.6718,-4.2764,-1.0031;-2.4111,-4.2769,.3631;-2.5758,-4.7979,1.6568;-2.9401,-5.0413,-.6927;-3.2342,-6.0025,1.891;-3.6031,-6.2507,-.4808;-3.7508,-6.7304,.8213;-2.1696,-4.2271,2.497;-3.3451,-6.3737,2.9127;-3.9952,-6.8195,-1.3271;-4.2665,-7.679,.9897;-4.2733,2.4127,-.3564;-5.0421,2.9357,.6971;-4.7876,2.5833,-1.6537;-6.2506,3.6007,.4829;-5.9907,3.2431,-1.8899;-6.7242,3.7554,-.8212;-4.2117,2.1805,-2.4919;-6.8223,3.9881,1.3295;-6.3565,3.3587,-2.9131;-7.6714,4.2721,-.9939;2.4165,4.2725,.3586;2.9332,5.0443,-.6955;2.5928,4.7835,1.6562;3.5972,6.2534,-.4816;3.2523,5.987,1.8923;3.7574,6.7239,.8229;2.1951,4.2049,2.4949;3.9798,6.8277,-1.3287;3.3727,6.3502,2.9159;4.2729,7.6719,.9953;-2.737,-4.4416,-2.4856;-4.4539,2.7207,2.4937;2.7104,4.4595,-2.4924;4.4665,-2.7112,2.4866;.0012,-.0024,.0006;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340580 0.0340254 0.0203138</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.7001" y3="1.379751" z3="-0.101328">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.965001" y3="0.202781" z3="-0.00706">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.936591" y3="-0.811789" z3="0.087617">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.257804" y3="4.252823" z3="-0.0592">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="1.120604" y3="4.100038" z3="0.074627">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="1.384245" y3="2.697986" z3="0.101207">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.207062" y3="1.96382" z3="0.006497">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-0.809052" y3="2.93431" z3="-0.087677">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.278866" y3="-4.256529" z3="-0.065625">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-1.099693" y3="-4.108955" z3="0.069263">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-1.374372" y3="-2.705506" z3="0.098468">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.198053" y3="-1.968792" z3="0.003735">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="0.823251" y3="-2.935055" z3="-0.092774">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.25419" y3="0.26439" z3="0.060387">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.10251" y3="-1.112626" z3="-0.074751">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.702339" y3="-1.381339" z3="-0.102627">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.968153" y3="-0.205341" z3="-0.007288">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.93512" y3="0.812503" z3="0.08858">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.252992" y3="-0.260796" z3="0.059797">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.101224" y3="1.115721" z3="-0.074111">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.165939" y3="2.658645" z3="-0.161537">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.171625" y3="-2.659067" z3="-0.165052">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.661046" y3="2.163877" z3="0.161899">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.663646" y3="-2.168067" z3="0.16083">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-0.83334" y3="5.175776" z3="-0.118694">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="1.882007" y3="4.877425" z3="0.131722">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="0.85991" y3="-5.176617" z3="-0.126786">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-1.856045" y3="-4.890981" z3="0.125438">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.175747" y3="0.842426" z3="0.120952">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.881977" y3="-1.87229" z3="-0.132085">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.176093" y3="-0.836837" z3="0.119531">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.879032" y3="1.876611" z3="-0.131051">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.102163" y3="-3.795738" z3="-0.345327">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="3.504188" y3="-4.1461" z3="-1.64277">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="3.63545" y3="-4.556988" z3="0.712356">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="4.385892" y3="-5.202049" z3="-1.890782">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="4.520506" y3="-5.619378" z3="0.47508">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="4.893146" y3="-5.941531" z3="-0.819128">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.104636" y3="-3.564187" z3="-2.479103">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="4.672878" y3="-5.44506" z3="-2.915905">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="4.918109" y3="-6.186559" z3="1.313236">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="5.584691" y3="-6.768722" z3="-0.991485">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.804904" y3="-3.095555" z3="0.340355">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-4.140101" y3="-3.502853" z3="1.63951">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.579022" y3="-3.617792" z3="-0.708737">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-5.196326" y3="-4.380586" z3="1.89329">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-5.642515" y3="-4.499414" z3="-0.465524">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-5.950754" y3="-4.877929" z3="0.828218">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.546079" y3="-3.110729" z3="2.470565">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-5.42827" y3="-4.67266" z3="2.919703">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-6.220855" y3="-4.889866" z3="-1.299747">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-6.779122" y3="-5.566658" z3="1.005791">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.097296" y3="3.794717" z3="-0.339282">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-3.62386" y3="4.55825" z3="0.719064">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-3.506472" y3="4.141641" z3="-1.628834">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-4.508235" y3="5.619403" z3="0.487372">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-4.388529" y3="5.197113" z3="-1.870875">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-4.886583" y3="5.93734" z3="-0.798668">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.113211" y3="3.558284" z3="-2.467105">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-4.90075" y3="6.188257" z3="1.326261">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-4.683251" y3="5.439483" z3="-2.893916">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-5.578461" y3="6.765188" z3="-0.966016">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.798846" y3="3.092399" z3="0.340365">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.56139" y3="3.623247" z3="-0.718312">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="4.150098" y3="3.495875" z3="1.631579">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="5.624066" y3="4.505867" z3="-0.485411">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="5.206938" y3="4.375446" z3="1.874367">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="5.945633" y3="4.878537" z3="0.801547">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.568594" y3="3.09968" z3="2.469786">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="6.191525" y3="4.901226" z3="-1.323961">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="5.452375" y3="4.665187" z3="2.898074">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="6.774241" y3="5.569184" z3="0.969727">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.208486" y3="-3.169146" z3="-2.538526">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.171458" y3="4.166457" z3="2.541685">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.166324" y3="3.178924" z3="-2.542078">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.194543" y3="-4.166348" z3="2.538505">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.002068" y3="-0.002165" z3="-0.001014">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7001,1.3798,-.1013;-1.965,.2028,-.0071;-2.9366,-.8118,.0876;-.2578,4.2528,-.0592;1.1206,4.1,.0746;1.3842,2.698,.1012;.2071,1.9638,.0065;-.8091,2.9343,-.0877;.2789,-4.2565,-.0656;-1.0997,-4.109,.0693;-1.3744,-2.7055,.0985;-.1981,-1.9688,.0037;.8233,-2.9351,-.0928;4.2542,.2644,.0604;4.1025,-1.1126,-.0748;2.7023,-1.3813,-.1026;1.9682,-.2053,-.0073;2.9351,.8125,.0886;-4.253,-.2608,.0598;-4.1012,1.1157,-.0741;-2.1659,2.6586,-.1615;2.1716,-2.6591,-.1651;2.661,2.1639,.1619;-2.6636,-2.1681,.1608;-.8333,5.1758,-.1187;1.882,4.8774,.1317;.8599,-5.1766,-.1268;-1.856,-4.891,.1254;5.1757,.8424,.121;4.882,-1.8723,-.1321;-5.1761,-.8368,.1195;-4.879,1.8766,-.1311;3.1022,-3.7957,-.3453;3.5042,-4.1461,-1.6428;3.6355,-4.557,.7124;4.3859,-5.202,-1.8908;4.5205,-5.6194,.4751;4.8931,-5.9415,-.8191;3.1046,-3.5642,-2.4791;4.6729,-5.4451,-2.9159;4.9181,-6.1866,1.3132;5.5847,-6.7687,-.9915;-3.8049,-3.0956,.3404;-4.1401,-3.5029,1.6395;-4.579,-3.6178,-.7087;-5.1963,-4.3806,1.8933;-5.6425,-4.4994,-.4655;-5.9508,-4.8779,.8282;-3.5461,-3.1107,2.4706;-5.4283,-4.6727,2.9197;-6.2209,-4.8899,-1.2997;-6.7791,-5.5667,1.0058;-3.0973,3.7947,-.3393;-3.6239,4.5583,.7191;-3.5065,4.1416,-1.6288;-4.5082,5.6194,.4874;-4.3885,5.1971,-1.8709;-4.8866,5.9373,-.7987;-3.1132,3.5583,-2.4671;-4.9008,6.1883,1.3263;-4.6833,5.4395,-2.8939;-5.5785,6.7652,-.966;3.7988,3.0924,.3404;4.5614,3.6232,-.7183;4.1501,3.4959,1.6316;5.6241,4.5059,-.4854;5.2069,4.3754,1.8744;5.9456,4.8785,.8015;3.5686,3.0997,2.4698;6.1915,4.9012,-1.324;5.4524,4.6652,2.8981;6.7742,5.5692,.9697;-4.2085,-3.1691,-2.5385;-3.1715,4.1665,2.5417;4.1663,3.1789,-2.5421;3.1945,-4.1663,2.5385;.0021,-.0022,-.001;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0338704 0.0337352 0.0202631</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-1.850655" y3="2.405152" z3="-0.099567">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.687038" y3="1.026922" z3="-0.006051">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.992798" y3="0.538728" z3="0.087515">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.606193" y3="3.943726" z3="-0.058175">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="2.766711" y3="3.233023" z3="0.072291">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.406333" y3="1.850887" z3="0.099849">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="1.028398" y3="1.68668" z3="0.006305">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="0.540249" y3="2.992402" z3="-0.086347">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-1.610418" y3="-3.943635" z3="-0.0621">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-2.768664" y3="-3.230615" z3="0.07002">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.406693" y3="-1.850037" z3="0.098999">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-1.028854" y3="-1.6880" z3="0.004623">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-0.541689" y3="-2.993655" z3="-0.090197">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.945126" y3="-1.608695" z3="0.058266">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="3.233382" y3="-2.768014" z3="-0.073559">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.851137" y3="-2.407792" z3="-0.101588">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.688092" y3="-1.029578" z3="-0.007012">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.993529" y3="-0.541282" z3="0.086895">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.94388" y3="1.605593" z3="0.059911">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-3.232938" y3="2.766033" z3="-0.071266">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-0.810041" y3="3.33572" z3="-0.15997">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="0.810164" y3="-3.338758" z3="-0.163624">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.337584" y3="0.809932" z3="0.160463">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.336093" y3="-0.811501" z3="0.160871">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="1.482876" y3="5.02504" z3="-0.117622">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="3.786499" y3="3.614507" z3="0.128109">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-1.488963" y3="-5.024928" z3="-0.122807">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-3.789385" y3="-3.610517" z3="0.125999">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.026309" y3="-1.485598" z3="0.1183">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="3.614598" y3="-3.788055" z3="-0.130047">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.025206" y3="1.482709" z3="0.119784">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-3.614256" y3="3.785848" z3="-0.127151">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="1.159141" y3="-4.773429" z3="-0.34159">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="1.372608" y3="-5.277212" z3="-1.635896">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="1.30715" y3="-5.677302" z3="0.719709">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="1.70871" y3="-6.608065" z3="-1.868523">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="1.642915" y3="-7.0159" z3="0.507155">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="1.843026" y3="-7.482705" z3="-0.79019">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="1.266459" y3="-4.58824" z3="-2.478966">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="1.864184" y3="-6.961435" z3="-2.890373">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="1.752839" y3="-7.690744" z3="1.358168">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="2.108097" y3="-8.530021" z3="-0.952267">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.769872" y3="-1.163309" z3="0.338328">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.265348" y3="-1.392612" z3="1.634488">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.679761" y3="-1.299846" z3="-0.718792">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.594726" y3="-1.732491" z3="1.870397">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-7.017329" y3="-1.639303" z3="-0.502542">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.476199" y3="-1.854853" z3="0.795557">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.571153" y3="-1.295788" z3="2.474198">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-6.94179" y3="-1.900278" z3="2.892558">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.696921" y3="-1.740549" z3="-1.350839">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.522371" y3="-2.122509" z3="0.960693">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-1.159373" y3="4.770476" z3="-0.335317">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-1.299454" y3="5.673907" z3="0.728694">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-1.381959" y3="5.276343" z3="-1.628772">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-1.63514" y3="7.013594" z3="0.520466">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-1.718489" y3="6.608387" z3="-1.85789">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-1.843863" y3="7.48221" z3="-0.77728">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-1.282604" y3="4.588279" z3="-2.473446">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-1.739026" y3="7.687777" z3="1.37272">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-1.881095" y3="6.963293" z3="-2.878124">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-2.108562" y3="8.530275" z3="-0.935596">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.772361" y3="1.159255" z3="0.336208">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.674606" y3="1.30527" z3="-0.72748">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.279321" y3="1.375886" z3="1.630109">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="7.01407" y3="1.64167" z3="-0.518877">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.611082" y3="1.71262" z3="1.85965">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.483754" y3="1.844778" z3="0.779175">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.592119" y3="1.271611" z3="2.474904">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.687423" y3="1.750103" z3="-1.371221">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="6.966797" y3="1.870333" z3="2.880375">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.531518" y3="2.110347" z3="0.937808">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-5.112813" y3="-1.043264" z3="-2.527661">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-1.053148" y3="5.090453" z3="2.532672">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="5.090213" y3="1.06583" z3="-2.53194">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="1.07067" y3="-5.098482" z3="2.526387">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000482" y3="-0.00115" z3="-0.000541">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.8507,2.4052,-.0996;-1.687,1.0269,-.0061;-2.9928,.5387,.0875;1.6062,3.9437,-.0582;2.7667,3.233,.0723;2.4063,1.8509,.0998;1.0284,1.6867,.0063;.5402,2.9924,-.0863;-1.6104,-3.9436,-.0621;-2.7687,-3.2306,.07;-2.4067,-1.85,.099;-1.0289,-1.688,.0046;-.5417,-2.9937,-.0902;3.9451,-1.6087,.0583;3.2334,-2.768,-.0736;1.8511,-2.4078,-.1016;1.6881,-1.0296,-.007;2.9935,-.5413,.0869;-3.9439,1.6056,.0599;-3.2329,2.766,-.0713;-.81,3.3357,-.16;.8102,-3.3388,-.1636;3.3376,.8099,.1605;-3.3361,-.8115,.1609;1.4829,5.025,-.1176;3.7865,3.6145,.1281;-1.489,-5.0249,-.1228;-3.7894,-3.6105,.126;5.0263,-1.4856,.1183;3.6146,-3.7881,-.13;-5.0252,1.4827,.1198;-3.6143,3.7858,-.1272;1.1591,-4.7734,-.3416;1.3726,-5.2772,-1.6359;1.3072,-5.6773,.7197;1.7087,-6.6081,-1.8685;1.6429,-7.0159,.5072;1.843,-7.4827,-.7902;1.2665,-4.5882,-2.479;1.8642,-6.9614,-2.8904;1.7528,-7.6907,1.3582;2.1081,-8.53,-.9523;-4.7699,-1.1633,.3383;-5.2653,-1.3926,1.6345;-5.6798,-1.2998,-.7188;-6.5947,-1.7325,1.8704;-7.0173,-1.6393,-.5025;-7.4762,-1.8549,.7956;-4.5712,-1.2958,2.4742;-6.9418,-1.9003,2.8926;-7.6969,-1.7405,-1.3508;-8.5224,-2.1225,.9607;-1.1594,4.7705,-.3353;-1.2995,5.6739,.7287;-1.382,5.2763,-1.6288;-1.6351,7.0136,.5205;-1.7185,6.6084,-1.8579;-1.8439,7.4822,-.7773;-1.2826,4.5883,-2.4734;-1.739,7.6878,1.3727;-1.8811,6.9633,-2.8781;-2.1086,8.5303,-.9356;4.7724,1.1593,.3362;5.6746,1.3053,-.7275;5.2793,1.3759,1.6301;7.0141,1.6417,-.5189;6.6111,1.7126,1.8597;7.4838,1.8448,.7792;4.5921,1.2716,2.4749;7.6874,1.7501,-1.3712;6.9668,1.8703,2.8804;8.5315,2.1103,.9378;-5.1128,-1.0433,-2.5277;-1.0531,5.0905,2.5327;5.0902,1.0658,-2.5319;1.0707,-5.0985,2.5264;.0005,-.0011,-.0005;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339716 0.0339511 0.0203431</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.858807" y3="1.021057" z3="-0.101593">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.968976" y3="-0.063802" z3="-0.006741">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.79331" y3="-1.181387" z3="0.085843">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.80181" y3="4.171474" z3="-0.054211">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.582042" y3="4.215449" z3="0.077092">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="1.029506" y3="2.853212" z3="0.103267">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.057598" y3="1.964846" z3="0.008289">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.175847" y3="2.788467" z3="-0.08358">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.833945" y3="-4.173452" z3="-0.059038">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.551416" y3="-4.232804" z3="0.073946">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-1.01411" y3="-2.868697" z3="0.102091">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.068003" y3="-1.972297" z3="0.006556">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.1909" y3="-2.790813" z3="-0.087197">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.171298" y3="0.807819" z3="0.056672">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.220988" y3="-0.57645" z3="-0.075942">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.859736" y3="-1.025898" z3="-0.10265">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.968893" y3="0.057466" z3="-0.00708">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.791317" y3="1.175626" z3="0.085869">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.174381" y3="-0.810298" z3="0.057289">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.219602" y3="0.5718" z3="-0.074615">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.493487" y3="2.352934" z3="-0.157911">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.496217" y3="-2.353989" z3="-0.160267">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.357528" y3="2.48688" z3="0.159606">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.358895" y3="-2.499636" z3="0.160213">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-1.499047" y3="5.009667" z3="-0.113419">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="1.227899" y3="5.093177" z3="0.132136">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="1.541275" y3="-5.004115" z3="-0.119953">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-1.18654" y3="-5.116508" z3="0.128397">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.007125" y3="1.508575" z3="0.116706">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.100144" y3="-1.219586" z3="-0.13136">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.01174" y3="-1.508799" z3="0.117144">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.098219" y3="1.216468" z3="-0.129602">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.574426" y3="-3.366966" z3="-0.328747">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.036665" y3="-3.690846" z3="-1.612874">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="4.199192" y3="-4.045198" z3="0.74513">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="5.049612" y3="-4.632311" z3="-1.817989">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="5.21385" y3="-4.991537" z3="0.559235">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="5.635715" y3="-5.282596" z3="-0.731978">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.5786" y3="-3.182904" z3="-2.466878">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="5.380525" y3="-4.858623" z3="-2.834767">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="5.669839" y3="-5.489986" z3="1.417996">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="6.428861" y3="-6.019161" z3="-0.883814">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.37959" y3="-3.573622" z3="0.329142">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-3.69897" y3="-4.046667" z3="1.605763">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.068564" y3="-4.182558" z3="-0.745618">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-4.645236" y3="-5.053963" z3="1.807474">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-5.019513" y3="-5.190922" z3="-0.564141">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-5.30533" y3="-5.62323" z3="0.721669">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.182379" y3="-3.601058" z3="2.461456">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-4.867538" y3="-5.393677" z3="2.822035">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-5.525833" y3="-5.634899" z3="-1.424434">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-6.046611" y3="-6.412579" z3="0.870183">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.572978" y3="3.365994" z3="-0.324116">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-4.191919" y3="4.047779" z3="0.745259">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.038231" y3="3.681958" z3="-1.599686">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-5.204398" y3="4.991428" z3="0.558682">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-5.049178" y3="4.620632" z3="-1.802992">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-5.628697" y3="5.275005" z3="-0.720763">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.584266" y3="3.169826" z3="-2.453238">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-5.657161" y3="5.494003" z3="1.416715">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-5.384656" y3="4.842196" z3="-2.81912">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-6.421805" y3="6.011286" z3="-0.872262">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.372132" y3="3.563865" z3="0.326091">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.051626" y3="4.18606" z3="-0.745431">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="3.693136" y3="4.024472" z3="1.603179">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="4.996822" y3="5.197224" z3="-0.558825">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="4.633996" y3="5.034266" z3="1.80639">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="5.28513" y3="5.61717" z3="0.722173">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.183617" y3="3.56817" z3="2.457035">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="5.497053" y3="5.652079" z3="-1.417135">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="4.859781" y3="5.36614" z3="2.822802">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="6.022493" y3="6.4094" z3="0.873566">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.689871" y3="-3.638197" z3="-2.522277">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.660226" y3="3.673408" z3="2.527692">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.671195" y3="3.659171" z3="-2.528388">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.669919" y3="-3.661361" z3="2.526528">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000835" y3="-0.003797" z3="0.000258">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8588,1.0211,-.1016;-1.969,-.0638,-.0067;-2.7933,-1.1814,.0858;-.8018,4.1715,-.0542;.582,4.2154,.0771;1.0295,2.8532,.1033;-.0576,1.9648,.0083;-1.1758,2.7885,-.0836;.8339,-4.1735,-.059;-.5514,-4.2328,.0739;-1.0141,-2.8687,.1021;.068,-1.9723,.0066;1.1909,-2.7908,-.0872;4.1713,.8078,.0567;4.221,-.5765,-.0759;2.8597,-1.0259,-.1027;1.9689,.0575,-.0071;2.7913,1.1756,.0859;-4.1744,-.8103,.0573;-4.2196,.5718,-.0746;-2.4935,2.3529,-.1579;2.4962,-2.354,-.1603;2.3575,2.4869,.1596;-2.3589,-2.4996,.1602;-1.499,5.0097,-.1134;1.2279,5.0932,.1321;1.5413,-5.0041,-.12;-1.1865,-5.1165,.1284;5.0071,1.5086,.1167;5.1001,-1.2196,-.1314;-5.0117,-1.5088,.1171;-5.0982,1.2165,-.1296;3.5744,-3.367,-.3287;4.0367,-3.6908,-1.6129;4.1992,-4.0452,.7451;5.0496,-4.6323,-1.818;5.2138,-4.9915,.5592;5.6357,-5.2826,-.732;3.5786,-3.1829,-2.4669;5.3805,-4.8586,-2.8348;5.6698,-5.49,1.418;6.4289,-6.0192,-.8838;-3.3796,-3.5736,.3291;-3.699,-4.0467,1.6058;-4.0686,-4.1826,-.7456;-4.6452,-5.054,1.8075;-5.0195,-5.1909,-.5641;-5.3053,-5.6232,.7217;-3.1824,-3.6011,2.4615;-4.8675,-5.3937,2.822;-5.5258,-5.6349,-1.4244;-6.0466,-6.4126,.8702;-3.573,3.366,-.3241;-4.1919,4.0478,.7453;-4.0382,3.682,-1.5997;-5.2044,4.9914,.5587;-5.0492,4.6206,-1.803;-5.6287,5.275,-.7208;-3.5843,3.1698,-2.4532;-5.6572,5.494,1.4167;-5.3847,4.8422,-2.8191;-6.4218,6.0113,-.8723;3.3721,3.5639,.3261;4.0516,4.1861,-.7454;3.6931,4.0245,1.6032;4.9968,5.1972,-.5588;4.634,5.0343,1.8064;5.2851,5.6172,.7222;3.1836,3.5682,2.457;5.4971,5.6521,-1.4171;4.8598,5.3661,2.8228;6.0225,6.4094,.8736;-3.6899,-3.6382,-2.5223;-3.6602,3.6734,2.5277;3.6712,3.6592,-2.5284;3.6699,-3.6614,2.5265;.0008,-.0038,.0003;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0341198 0.0339696 0.0203668</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.003778" y3="0.430849" z3="-0.099858">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.920286" y3="-0.445091" z3="-0.006757">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.512195" y3="-1.700285" z3="0.085061">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-1.603146" y3="3.93681" z3="-0.05357">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-0.278049" y3="4.244659" z3="0.07452">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="0.433613" y3="3.003554" z3="0.10123">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.44213" y3="1.919666" z3="0.008109">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.697386" y3="2.511913" z3="-0.082678">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="1.599358" y3="-3.942915" z3="-0.056823">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="0.273968" y3="-4.249296" z3="0.073175">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-0.433994" y3="-3.007217" z3="0.100944">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.442384" y3="-1.923813" z3="0.006783">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.696249" y3="-2.518052" z3="-0.085973">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.941194" y3="1.600664" z3="0.054464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.249011" y3="0.275283" z3="-0.074992">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="3.006904" y3="-0.434799" z3="-0.101888">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.922714" y3="0.440811" z3="-0.007751">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.516373" y3="1.695862" z3="0.084092">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.937463" y3="-1.605928" z3="0.056795">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.245014" y3="-0.280334" z3="-0.072224">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.907717" y3="1.821477" z3="-0.156185">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.909711" y3="-1.826624" z3="-0.159612">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="1.824985" y3="2.90761" z3="0.157656">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-1.821458" y3="-2.910339" z3="0.158573">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-2.449717" y3="4.621987" z3="-0.112095">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="0.179574" y3="5.232534" z3="0.128854">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="2.444402" y3="-4.629504" z3="-0.116554">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-0.185379" y3="-5.236428" z3="0.127843">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.626901" y3="2.446696" z3="0.113457">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.2364" y3="-0.183039" z3="-0.130058">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.622803" y3="-2.452154" z3="0.116071">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.232805" y3="0.177587" z3="-0.126487">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="4.164263" y3="-2.608755" z3="-0.325137">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.681958" y3="-2.8370" z3="-1.610433">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="4.896081" y3="-3.143056" z3="0.748759">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="5.85449" y3="-3.559059" z3="-1.816698">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="6.072741" y3="-3.870783" z3="0.564913">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="6.551218" y3="-4.07874" z3="-0.72869">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.134234" y3="-2.429191" z3="-2.465102">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="6.224113" y3="-3.717136" z3="-2.832797">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="6.613297" y3="-4.26811" z3="1.426112">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="7.473058" y3="-4.646438" z3="-0.876655">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-2.602496" y3="-4.164733" z3="0.324369">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-2.819141" y3="-4.693301" z3="1.607787">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-3.148057" y3="-4.888675" z3="-0.751075">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-3.540284" y3="-5.867232" z3="1.812759">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-3.874963" y3="-6.066347" z3="-0.568727">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-4.071196" y3="-6.55512" z3="0.723947">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-2.402642" y3="-4.152703" z3="2.462969">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-3.688814" y3="-6.244629" z3="2.827389">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-4.280363" y3="-6.600304" z3="-1.430298">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-4.638275" y3="-7.47763" z3="0.870312">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-4.162318" y3="2.603806" z3="-0.319132">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-4.888942" y3="3.143705" z3="0.756149">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.686262" y3="2.82643" z3="-1.605594">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-6.066514" y3="3.872567" z3="0.573262">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-5.859555" y3="3.54906" z3="-1.811092">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-6.551717" y3="4.075699" z3="-0.721653">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.142567" y3="2.413742" z3="-2.46052">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-6.603056" y3="4.274113" z3="1.435154">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-6.233079" y3="3.702149" z3="-2.826583">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-7.473399" y3="4.643898" z3="-0.868792">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="2.606722" y3="4.162809" z3="0.320919">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="3.141169" y3="4.892408" z3="-0.754752">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="2.83394" y3="4.683647" z3="1.607333">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="3.868811" y3="6.070561" z3="-0.572163">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="3.555753" y3="5.85745" z3="1.81256">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="4.076302" y3="6.552785" z3="0.722781">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="2.425607" y3="4.137294" z3="2.46264">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="4.266305" y3="6.609559" z3="-1.434391">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="3.712754" y3="6.228738" z3="2.828254">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="4.643453" y3="7.475159" z3="0.869753">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-2.885667" y3="-4.273869" z3="-2.531938">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-4.28145" y3="2.87244" z3="2.538945">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="2.864288" y3="4.287253" z3="-2.537515">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.29339" y3="-2.865331" z3="2.531898">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000976" y3="-0.001944" z3="0.000061">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.0038,.4308,-.0999;-1.9203,-.4451,-.0068;-2.5122,-1.7003,.0851;-1.6031,3.9368,-.0536;-.278,4.2447,.0745;.4336,3.0036,.1012;-.4421,1.9197,.0081;-1.6974,2.5119,-.0827;1.5994,-3.9429,-.0568;.274,-4.2493,.0732;-.434,-3.0072,.1009;.4424,-1.9238,.0068;1.6962,-2.5181,-.086;3.9412,1.6007,.0545;4.249,.2753,-.075;3.0069,-.4348,-.1019;1.9227,.4408,-.0078;2.5164,1.6959,.0841;-3.9375,-1.6059,.0568;-4.245,-.2803,-.0722;-2.9077,1.8215,-.1562;2.9097,-1.8266,-.1596;1.825,2.9076,.1577;-1.8215,-2.9103,.1586;-2.4497,4.622,-.1121;.1796,5.2325,.1289;2.4444,-4.6295,-.1166;-.1854,-5.2364,.1278;4.6269,2.4467,.1135;5.2364,-.183,-.1301;-4.6228,-2.4522,.1161;-5.2328,.1776,-.1265;4.1643,-2.6088,-.3251;4.682,-2.837,-1.6104;4.8961,-3.1431,.7488;5.8545,-3.5591,-1.8167;6.0727,-3.8708,.5649;6.5512,-4.0787,-.7287;4.1342,-2.4292,-2.4651;6.2241,-3.7171,-2.8328;6.6133,-4.2681,1.4261;7.4731,-4.6464,-.8767;-2.6025,-4.1647,.3244;-2.8191,-4.6933,1.6078;-3.1481,-4.8887,-.7511;-3.5403,-5.8672,1.8128;-3.875,-6.0663,-.5687;-4.0712,-6.5551,.7239;-2.4026,-4.1527,2.463;-3.6888,-6.2446,2.8274;-4.2804,-6.6003,-1.4303;-4.6383,-7.4776,.8703;-4.1623,2.6038,-.3191;-4.8889,3.1437,.7561;-4.6863,2.8264,-1.6056;-6.0665,3.8726,.5733;-5.8596,3.5491,-1.8111;-6.5517,4.0757,-.7217;-4.1426,2.4137,-2.4605;-6.6031,4.2741,1.4352;-6.2331,3.7021,-2.8266;-7.4734,4.6439,-.8688;2.6067,4.1628,.3209;3.1412,4.8924,-.7548;2.8339,4.6836,1.6073;3.8688,6.0706,-.5722;3.5558,5.8575,1.8126;4.0763,6.5528,.7228;2.4256,4.1373,2.4626;4.2663,6.6096,-1.4344;3.7128,6.2287,2.8283;4.6435,7.4752,.8698;-2.8857,-4.2739,-2.5319;-4.2815,2.8724,2.5389;2.8643,4.2873,-2.5375;4.2934,-2.8653,2.5319;.001,-.0019,.0001;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0341378 0.0341178 0.0204536</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.834459" y3="1.092751" z3="-0.100402">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.975965" y3="-0.003011" z3="-0.008317">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.838552" y3="-1.11257" z3="0.082889">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.692324" y3="4.206645" z3="-0.051063">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.69428" y3="4.196573" z3="0.077346">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="1.098582" y3="2.827788" z3="0.101461">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.00161" y3="1.971791" z3="0.009141">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.108517" y3="2.833131" z3="-0.081228">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.730931" y3="-4.206812" z3="-0.057527">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.655999" y3="-4.210498" z3="0.072398">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-1.081443" y3="-2.84189" z3="0.099544">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.01031" y3="-1.978669" z3="0.006827">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.129465" y3="-2.831148" z3="-0.086058">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.204644" y3="0.699599" z3="0.051963">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.197595" y3="-0.685653" z3="-0.07774">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.831462" y3="-1.096314" z3="-0.1026">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.975148" y3="-0.001427" z3="-0.0093">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.831749" y3="1.110297" z3="0.082279">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.210385" y3="-0.698038" z3="0.053648">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.202645" y3="0.685839" z3="-0.075069">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.435846" y3="2.421793" z3="-0.153345">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.438781" y3="-2.419064" z3="-0.156859">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.422572" y3="2.429256" z3="0.154133">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.42789" y3="-2.441493" z3="0.154708">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-1.358749" y3="5.066453" z3="-0.107843">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="1.372529" y3="5.050064" z3="0.131971">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="1.408079" y3="-5.059818" z3="-0.116328">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-1.322536" y3="-5.072004" z3="0.126096">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.062702" y3="1.369033" z3="0.109459">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.053622" y3="-1.360887" z3="-0.132953">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.069672" y3="-1.365884" z3="0.111132">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.057334" y3="1.362291" z3="-0.129337">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.489701" y3="-3.454154" z3="-0.313576">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="3.935603" y3="-3.786736" z3="-1.604085">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="4.092422" y3="-4.135658" z3="0.763469">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="4.924313" y3="-4.749429" z3="-1.824546">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="5.083474" y3="-5.103714" z3="0.555352">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="5.498067" y3="-5.4112" z3="-0.732666">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.483727" y3="-3.267423" z3="-2.454052">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="5.24378" y3="-4.982425" z3="-2.84272">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="5.531306" y3="-5.612683" z3="1.409978">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="6.27245" y3="-6.166578" z3="-0.883728">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.470918" y3="-3.488969" z3="0.310856">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-3.791861" y3="-3.940868" z3="1.597254">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.163901" y3="-4.076068" z3="-0.760062">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-4.757229" y3="-4.923095" z3="1.817336">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-5.135333" y3="-5.06089" z3="-0.552282">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-5.432225" y3="-5.482452" z3="0.730066">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.261264" y3="-3.499342" z3="2.445405">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-4.98246" y3="-5.249279" z3="2.83512">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-5.65509" y3="-5.498509" z3="-1.405715">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-6.191363" y3="-6.252851" z3="0.881744">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.486995" y3="3.457912" z3="-0.307908">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-4.081856" y3="4.1429" z3="0.765104">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-3.936807" y3="3.784043" z3="-1.584059">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-5.0677" y3="5.107275" z3="0.561203">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-4.921571" y3="4.744012" z3="-1.797779">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-5.483959" y3="5.406744" z3="-0.710638">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.491436" y3="3.261488" z3="-2.435246">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-5.51015" y3="5.620013" z3="1.415842">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-5.248021" y3="4.974898" z3="-2.813938">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-6.257728" y3="6.16293" z3="-0.85879">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.460039" y3="3.477711" z3="0.308869">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.142834" y3="4.076983" z3="-0.765463">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="3.791715" y3="3.922507" z3="1.587754">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="5.109354" y3="5.061908" z3="-0.560797">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="4.753809" y3="4.90591" z3="1.802391">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="5.414216" y3="5.473467" z3="0.713611">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.271767" y3="3.47412" z3="2.439007">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="5.619595" y3="5.507254" z3="-1.415477">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="4.988566" y3="5.2277" z3="2.819206">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="6.171404" y3="6.246166" z3="0.86226">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.79675" y3="-3.564749" z3="-2.570974">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.573257" y3="3.766745" z3="2.573492">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.761547" y3="3.576541" z3="-2.575114">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.59384" y3="-3.756268" z3="2.575489">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000658" y3="-0.003266" z3="-0.00031">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8345,1.0928,-.1004;-1.976,-.003,-.0083;-2.8386,-1.1126,.0829;-.6923,4.2066,-.0511;.6943,4.1966,.0773;1.0986,2.8278,.1015;.0016,1.9718,.0091;-1.1085,2.8331,-.0812;.7309,-4.2068,-.0575;-.656,-4.2105,.0724;-1.0814,-2.8419,.0995;.0103,-1.9787,.0068;1.1295,-2.8311,-.0861;4.2046,.6996,.052;4.1976,-.6857,-.0777;2.8315,-1.0963,-.1026;1.9751,-.0014,-.0093;2.8317,1.1103,.0823;-4.2104,-.698,.0536;-4.2026,.6858,-.0751;-2.4358,2.4218,-.1533;2.4388,-2.4191,-.1569;2.4226,2.4293,.1541;-2.4279,-2.4415,.1547;-1.3587,5.0665,-.1078;1.3725,5.0501,.132;1.4081,-5.0598,-.1163;-1.3225,-5.072,.1261;5.0627,1.369,.1095;5.0536,-1.3609,-.133;-5.0697,-1.3659,.1111;-5.0573,1.3623,-.1293;3.4897,-3.4542,-.3136;3.9356,-3.7867,-1.6041;4.0924,-4.1357,.7635;4.9243,-4.7494,-1.8245;5.0835,-5.1037,.5554;5.4981,-5.4112,-.7327;3.4837,-3.2674,-2.4541;5.2438,-4.9824,-2.8427;5.5313,-5.6127,1.41;6.2725,-6.1666,-.8837;-3.4709,-3.489,.3109;-3.7919,-3.9409,1.5973;-4.1639,-4.0761,-.7601;-4.7572,-4.9231,1.8173;-5.1353,-5.0609,-.5523;-5.4322,-5.4825,.7301;-3.2613,-3.4993,2.4454;-4.9825,-5.2493,2.8351;-5.6551,-5.4985,-1.4057;-6.1914,-6.2529,.8817;-3.487,3.4579,-.3079;-4.0819,4.1429,.7651;-3.9368,3.784,-1.5841;-5.0677,5.1073,.5612;-4.9216,4.744,-1.7978;-5.484,5.4067,-.7106;-3.4914,3.2615,-2.4352;-5.5102,5.62,1.4158;-5.248,4.9749,-2.8139;-6.2577,6.1629,-.8588;3.46,3.4777,.3089;4.1428,4.077,-.7655;3.7917,3.9225,1.5878;5.1094,5.0619,-.5608;4.7538,4.9059,1.8024;5.4142,5.4735,.7136;3.2718,3.4741,2.439;5.6196,5.5073,-1.4155;4.9886,5.2277,2.8192;6.1714,6.2462,.8623;-3.7967,-3.5647,-2.571;-3.5733,3.7667,2.5735;3.7615,3.5765,-2.5751;3.5938,-3.7563,2.5755;.0007,-.0033,-.0003;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339315 0.0337809 0.0203543</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.872298" y3="0.976755" z3="-0.098092">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.971539" y3="-0.079641" z3="-0.007243">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.787351" y3="-1.209396" z3="0.082607">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.848993" y3="4.169926" z3="-0.049918">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.51127" y3="4.222557" z3="0.0751">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="0.97827" y3="2.872501" z3="0.100044">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.077542" y3="1.971249" z3="0.009118">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.207429" y3="2.786999" z3="-0.079498">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.840794" y3="-4.175734" z3="-0.054251">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.519014" y3="-4.223161" z3="0.072776">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-0.980939" y3="-2.87335" z3="0.099434">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.076651" y3="-1.974942" z3="0.007405">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.204778" y3="-2.792629" z3="-0.083667">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.174059" y3="0.846455" z3="0.050075">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.225252" y3="-0.513398" z3="-0.076463">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.874977" y3="-0.980552" z3="-0.101533">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.974404" y3="0.076324" z3="-0.009092">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.790196" y3="1.206084" z3="0.080583">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.170393" y3="-0.849996" z3="0.054065">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.222616" y3="0.510421" z3="-0.071793">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.521299" y3="2.327597" z3="-0.150899">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.523217" y3="-2.333482" z3="-0.155682">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.330628" y3="2.521475" z3="0.152541">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.328587" y3="-2.522579" z3="0.15372">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-1.552053" y3="5.001119" z3="-0.1066">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="1.147303" y3="5.10648" z3="0.128426">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="1.540084" y3="-5.00963" z3="-0.112436">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-1.158577" y3="-5.105093" z3="0.126372">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.005815" y3="1.548646" z3="0.107127">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.108975" y3="-1.149858" z3="-0.130851">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.00188" y3="-1.5526" z3="0.111661">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.106309" y3="1.14683" z3="-0.124852">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.610636" y3="-3.33704" z3="-0.310344">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.074628" y3="-3.663566" z3="-1.595092">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="4.225469" y3="-3.988996" z3="0.767505">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="5.091198" y3="-4.592121" z3="-1.80266">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="5.24529" y3="-4.924065" z3="0.58002">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="5.678192" y3="-5.226706" z3="-0.708579">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.611226" y3="-3.16426" z3="-2.450939">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="5.423526" y3="-4.820751" z3="-2.817832">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="5.702587" y3="-5.412105" z3="1.443293">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="6.477244" y3="-5.95785" z3="-0.851555">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.330244" y3="-3.610814" z3="0.307671">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-3.643317" y3="-4.086117" z3="1.593551">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-3.993315" y3="-4.216651" z3="-0.769388">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-4.570217" y3="-5.104978" z3="1.801285">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-4.92714" y3="-5.238662" z3="-0.581252">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-5.216707" y3="-5.682891" z3="0.708047">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.135267" y3="-3.630218" z3="2.448149">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-4.78839" y3="-5.446073" z3="2.815937">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-5.423752" y3="-5.688878" z3="-1.443386">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-5.94649" y3="-6.483086" z3="0.851682">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.608859" y3="3.33106" z3="-0.303067">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-4.217181" y3="3.988042" z3="0.778038">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.081879" y3="3.654008" z3="-1.589157">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-5.238333" y3="4.924787" z3="0.594048">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-5.100215" y3="4.583958" z3="-1.794486">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-5.680246" y3="5.224119" z3="-0.697729">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.624288" y3="3.151059" z3="-2.44607">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-5.689775" y3="5.416014" z3="1.458635">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-5.438694" y3="4.809031" z3="-2.808498">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-6.479349" y3="5.955798" z3="-0.838596">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.334208" y3="3.609173" z3="0.304792">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="3.986206" y3="4.221846" z3="-0.776088">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="3.661976" y3="4.077515" z3="1.590693">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="4.922423" y3="5.243168" z3="-0.59214">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="4.591613" y3="5.095701" z3="1.795904">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="5.226438" y3="5.680519" z3="0.69917">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.162957" y3="3.616293" z3="2.447957">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="5.409865" y3="5.698154" z3="-1.457002">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="4.820615" y3="5.430547" z3="2.810238">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="5.957674" y3="6.479993" z3="0.839962">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.625413" y3="-3.668896" z3="-2.563484">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.673039" y3="3.605676" z3="2.569718">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.598146" y3="3.683574" z3="-2.568205">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.692372" y3="-3.603553" z3="2.561855">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.001152" y3="-0.00174" z3="0.000099">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8723,.9768,-.0981;-1.9715,-.0796,-.0072;-2.7874,-1.2094,.0826;-.849,4.1699,-.0499;.5113,4.2226,.0751;.9783,2.8725,.1;-.0775,1.9712,.0091;-1.2074,2.787,-.0795;.8408,-4.1757,-.0543;-.519,-4.2232,.0728;-.9809,-2.8733,.0994;.0767,-1.9749,.0074;1.2048,-2.7926,-.0837;4.1741,.8465,.0501;4.2253,-.5134,-.0765;2.875,-.9806,-.1015;1.9744,.0763,-.0091;2.7902,1.2061,.0806;-4.1704,-.85,.0541;-4.2226,.5104,-.0718;-2.5213,2.3276,-.1509;2.5232,-2.3335,-.1557;2.3306,2.5215,.1525;-2.3286,-2.5226,.1537;-1.5521,5.0011,-.1066;1.1473,5.1065,.1284;1.5401,-5.0096,-.1124;-1.1586,-5.1051,.1264;5.0058,1.5486,.1071;5.109,-1.1499,-.1309;-5.0019,-1.5526,.1117;-5.1063,1.1468,-.1249;3.6106,-3.337,-.3103;4.0746,-3.6636,-1.5951;4.2255,-3.989,.7675;5.0912,-4.5921,-1.8027;5.2453,-4.9241,.58;5.6782,-5.2267,-.7086;3.6112,-3.1643,-2.4509;5.4235,-4.8208,-2.8178;5.7026,-5.4121,1.4433;6.4772,-5.9578,-.8516;-3.3302,-3.6108,.3077;-3.6433,-4.0861,1.5936;-3.9933,-4.2167,-.7694;-4.5702,-5.105,1.8013;-4.9271,-5.2387,-.5813;-5.2167,-5.6829,.708;-3.1353,-3.6302,2.4481;-4.7884,-5.4461,2.8159;-5.4238,-5.6889,-1.4434;-5.9465,-6.4831,.8517;-3.6089,3.3311,-.3031;-4.2172,3.988,.778;-4.0819,3.654,-1.5892;-5.2383,4.9248,.594;-5.1002,4.584,-1.7945;-5.6802,5.2241,-.6977;-3.6243,3.1511,-2.4461;-5.6898,5.416,1.4586;-5.4387,4.809,-2.8085;-6.4793,5.9558,-.8386;3.3342,3.6092,.3048;3.9862,4.2218,-.7761;3.662,4.0775,1.5907;4.9224,5.2432,-.5921;4.5916,5.0957,1.7959;5.2264,5.6805,.6992;3.163,3.6163,2.448;5.4099,5.6982,-1.457;4.8206,5.4305,2.8102;5.9577,6.48,.84;-3.6254,-3.6689,-2.5635;-3.673,3.6057,2.5697;3.5981,3.6836,-2.5682;3.6924,-3.6036,2.5619;.0012,-.0017,.0001;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340515 0.0340298 0.0204643</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.793104" y3="1.205194" z3="-0.097548">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.97397" y3="0.06704" z3="-0.006797">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.872047" y3="-0.996598" z3="0.081638">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.526272" y3="4.223604" z3="-0.05239">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.854059" y3="4.173998" z3="0.072233">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="1.210715" y3="2.786482" z3="0.098066">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.070339" y3="1.97027" z3="0.007529">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-0.992516" y3="2.868215" z3="-0.080189">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.571495" y3="-4.219617" z3="-0.056313">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.811375" y3="-4.191501" z3="0.069732">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-1.191693" y3="-2.801598" z3="0.097787">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.058442" y3="-1.973802" z3="0.00652">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.012792" y3="-2.86251" z3="-0.082848">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.219091" y3="0.532147" z3="0.052685">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.173673" y3="-0.848828" z3="-0.072879">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.787573" y3="-1.207168" z3="-0.098601">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.9700" y3="-0.070276" z3="-0.007411">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.865846" y3="0.992886" z3="0.080806">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.227242" y3="-0.533517" z3="0.05437">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.180266" y3="0.845005" z3="-0.070841">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.341331" y3="2.515001" z3="-0.149404">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.340601" y3="-2.507229" z3="-0.150813">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.51436" y3="2.334377" z3="0.149525">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.516972" y3="-2.348641" z3="0.151097">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-1.164727" y3="5.10632" z3="-0.108957">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="1.558057" y3="5.00563" z3="0.12416">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="1.225808" y3="-5.092223" z3="-0.114664">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-1.500499" y3="-5.0332" z3="0.120937">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.100034" y3="1.173707" z3="0.109573">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.006685" y3="-1.550771" z3="-0.12541">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.108717" y3="-1.17395" z3="0.111556">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.013405" y3="1.546966" z3="-0.122747">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.350178" y3="-3.587347" z3="-0.296767">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="3.802389" y3="-3.961689" z3="-1.573867">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="3.914072" y3="-4.285395" z3="0.796233">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="4.752046" y3="-4.969891" z3="-1.755209">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="4.865307" y3="-5.299379" z3="0.635421">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="5.28276" y3="-5.640078" z3="-0.649737">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.386989" y3="-3.438245" z3="-2.440301">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="5.077358" y3="-5.23333" z3="-2.764723">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="5.276346" y3="-5.813513" z3="1.506365">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="6.026057" y3="-6.430252" z3="-0.780922">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.601935" y3="-3.358617" z3="0.297164">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-3.96661" y3="-3.820025" z3="1.565814">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.308329" y3="-3.909213" z3="-0.791339">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-4.973885" y3="-4.765908" z3="1.746353">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-5.321284" y3="-4.856084" z3="-0.631808">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-5.652129" y3="-5.282463" z3="0.645379">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.434917" y3="-3.414171" z3="2.43187">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-5.230515" y3="-5.099753" z3="2.754637">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-5.842956" y3="-5.257796" z3="-1.502426">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-6.443613" y3="-6.024361" z3="0.77567">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.352624" y3="3.595124" z3="-0.29403">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-3.909646" y3="4.295598" z3="0.789817">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-3.806179" y3="3.959035" z3="-1.555513">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-4.855356" y3="5.302335" z3="0.62791">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-4.750679" y3="4.960282" z3="-1.733348">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-5.272219" y3="5.631563" z3="-0.636265">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.395426" y3="3.431661" z3="-2.421462">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-5.263238" y3="5.821331" z3="1.496989">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-5.081591" y3="5.219369" z3="-2.741774">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-6.015647" y3="6.4211" z3="-0.766546">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.595641" y3="3.343071" z3="0.293821">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.293729" y3="3.903579" z3="-0.793048">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="3.965322" y3="3.792487" z3="1.558466">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="5.302931" y3="4.848715" z3="-0.631516">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="4.969269" y3="4.736318" z3="1.7364">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="5.637886" y3="5.261883" z3="0.636527">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.440663" y3="3.379211" z3="2.424895">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="5.819243" y3="5.25881" z3="-1.50122">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="5.232422" y3="5.063276" z3="2.745126">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="6.428561" y3="6.004283" z3="0.766637">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.872795" y3="-3.367229" z3="-2.559833">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.37773" y3="3.860866" z3="2.561588">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.852041" y3="3.376604" z3="-2.56492">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.385111" y3="-3.838902" z3="2.566728">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.000719" y3="-0.001585" z3="0.000051">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7931,1.2052,-.0975;-1.974,.067,-.0068;-2.872,-.9966,.0816;-.5263,4.2236,-.0524;.8541,4.174,.0722;1.2107,2.7865,.0981;.0703,1.9703,.0075;-.9925,2.8682,-.0802;.5715,-4.2196,-.0563;-.8114,-4.1915,.0697;-1.1917,-2.8016,.0978;-.0584,-1.9738,.0065;1.0128,-2.8625,-.0828;4.2191,.5321,.0527;4.1737,-.8488,-.0729;2.7876,-1.2072,-.0986;1.97,-.0703,-.0074;2.8658,.9929,.0808;-4.2272,-.5335,.0544;-4.1803,.845,-.0708;-2.3413,2.515,-.1494;2.3406,-2.5072,-.1508;2.5144,2.3344,.1495;-2.517,-2.3486,.1511;-1.1647,5.1063,-.109;1.5581,5.0056,.1242;1.2258,-5.0922,-.1147;-1.5005,-5.0332,.1209;5.1,1.1737,.1096;5.0067,-1.5508,-.1254;-5.1087,-1.174,.1116;-5.0134,1.547,-.1227;3.3502,-3.5873,-.2968;3.8024,-3.9617,-1.5739;3.9141,-4.2854,.7962;4.752,-4.9699,-1.7552;4.8653,-5.2994,.6354;5.2828,-5.6401,-.6497;3.387,-3.4382,-2.4403;5.0774,-5.2333,-2.7647;5.2763,-5.8135,1.5064;6.0261,-6.4303,-.7809;-3.6019,-3.3586,.2972;-3.9666,-3.82,1.5658;-4.3083,-3.9092,-.7913;-4.9739,-4.7659,1.7464;-5.3213,-4.8561,-.6318;-5.6521,-5.2825,.6454;-3.4349,-3.4142,2.4319;-5.2305,-5.0998,2.7546;-5.843,-5.2578,-1.5024;-6.4436,-6.0244,.7757;-3.3526,3.5951,-.294;-3.9096,4.2956,.7898;-3.8062,3.959,-1.5555;-4.8554,5.3023,.6279;-4.7507,4.9603,-1.7333;-5.2722,5.6316,-.6363;-3.3954,3.4317,-2.4215;-5.2632,5.8213,1.497;-5.0816,5.2194,-2.7418;-6.0156,6.4211,-.7665;3.5956,3.3431,.2938;4.2937,3.9036,-.793;3.9653,3.7925,1.5585;5.3029,4.8487,-.6315;4.9693,4.7363,1.7364;5.6379,5.2619,.6365;3.4407,3.3792,2.4249;5.8192,5.2588,-1.5012;5.2324,5.0633,2.7451;6.4286,6.0043,.7666;-3.8728,-3.3672,-2.5598;-3.3777,3.8609,2.5616;3.852,3.3766,-2.5649;3.3851,-3.8389,2.5667;-.0007,-.0016,.0001;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0341984 0.0341030 0.0205108</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.905512" y3="0.878329" z3="-0.095009">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.966703" y3="-0.151264" z3="-0.00594">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.740562" y3="-1.304584" z3="0.081907">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.994409" y3="4.134459" z3="-0.051597">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.36428" y3="4.239433" z3="0.070591">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="0.881108" y3="2.905201" z3="0.096875">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.148319" y3="1.965893" z3="0.00781">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.302057" y3="2.739886" z3="-0.078883">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.989863" y3="-4.140353" z3="-0.055028">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.368898" y3="-4.243364" z3="0.06908">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-0.881936" y3="-2.90837" z3="0.096851">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.148563" y3="-1.970079" z3="0.00658">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.300511" y3="-2.745903" z3="-0.082264">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.138226" y3="0.99317" z3="0.051735">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.243522" y3="-0.365636" z3="-0.071851">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.908833" y3="-0.881808" z3="-0.098003">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.968987" y3="0.147198" z3="-0.007604">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.743744" y3="1.30086" z3="0.079939">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.135057" y3="-0.996807" z3="0.055636">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.239708" y3="0.362175" z3="-0.067428">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.601484" y3="2.238063" z3="-0.146964">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.603673" y3="-2.243703" z3="-0.151035">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.241578" y3="2.601127" z3="0.148501">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.23921" y3="-2.603613" z3="0.149977">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-1.728362" y3="4.93917" z3="-0.107735">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="0.966371" y3="5.146716" z3="0.121856">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="1.722096" y3="-4.946194" z3="-0.112661">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-0.973187" y3="-5.149295" z3="0.120603">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.942882" y3="1.727138" z3="0.10819">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.150611" y3="-0.96774" z3="-0.12413">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.939746" y3="-1.730653" z3="0.112768">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.146811" y3="0.964632" z3="-0.118432">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.726612" y3="-3.208397" z3="-0.29601">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.214744" y3="-3.529155" z3="-1.572559">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="4.357668" y3="-3.835663" z3="0.792275">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="5.265323" y3="-4.424281" z3="-1.758189">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="5.410912" y3="-4.736796" z3="0.628113">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="5.864097" y3="-5.030602" z3="-0.656567">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.743529" y3="-3.053268" z3="-2.437596">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="5.616138" y3="-4.649359" z3="-2.768237">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="5.875504" y3="-5.203102" z3="1.498868">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="6.689083" y3="-5.734793" z3="-0.788229">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.202694" y3="-3.726727" z3="0.294529">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-3.512239" y3="-4.226479" z3="1.570567">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-3.840564" y3="-4.348995" z3="-0.794061">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-4.406487" y3="-5.278734" z3="1.756284">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-4.741045" y3="-5.403605" z3="-0.630047">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-5.023688" y3="-5.868028" z3="0.654546">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.028054" y3="-3.762809" z3="2.435175">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-4.622322" y3="-5.637979" z3="2.765377">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-5.215115" y3="-5.86099" z3="-1.500452">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-5.727119" y3="-6.693787" z3="0.785709">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.724747" y3="3.202399" z3="-0.28979">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-4.350222" y3="3.83488" z3="0.800089">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.220345" y3="3.518016" z3="-1.568588">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-5.405194" y3="4.737296" z3="0.63656">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-5.272585" y3="4.413808" z3="-1.754176">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-5.866308" y3="5.02676" z3="-0.650744">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.75359" y3="3.037719" z3="-2.433663">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-5.865294" y3="5.207541" z3="1.507719">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-5.628156" y3="4.634066" z3="-2.763703">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-6.691456" y3="5.731028" z3="-0.781495">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.206056" y3="3.724401" z3="0.291329">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="3.833594" y3="4.353516" z3="-0.798891">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="3.526563" y3="4.215719" z3="1.569639">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="4.735572" y3="5.408392" z3="-0.635827">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="4.422249" y3="5.267768" z3="1.754622">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="5.029691" y3="5.865252" z3="0.650864">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.050227" y3="3.745891" z3="2.435223">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="5.202071" y3="5.871455" z3="-1.507404">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="4.646651" y3="5.620272" z3="2.764289">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="5.733742" y3="6.690632" z3="0.781292">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.472375" y3="-3.763627" z3="-2.567919">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.770982" y3="3.458665" z3="2.574745">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.45099" y3="3.778279" z3="-2.573442">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.784827" y3="-3.452493" z3="2.566973">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000987" y3="-0.002047" z3="0.000242">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.9055,.8783,-.095;-1.9667,-.1513,-.0059;-2.7406,-1.3046,.0819;-.9944,4.1345,-.0516;.3643,4.2394,.0706;.8811,2.9052,.0969;-.1483,1.9659,.0078;-1.3021,2.7399,-.0789;.9899,-4.1404,-.055;-.3689,-4.2434,.0691;-.8819,-2.9084,.0969;.1486,-1.9701,.0066;1.3005,-2.7459,-.0823;4.1382,.9932,.0517;4.2435,-.3656,-.0719;2.9088,-.8818,-.098;1.969,.1472,-.0076;2.7437,1.3009,.0799;-4.1351,-.9968,.0556;-4.2397,.3622,-.0674;-2.6015,2.2381,-.147;2.6037,-2.2437,-.151;2.2416,2.6011,.1485;-2.2392,-2.6036,.15;-1.7284,4.9392,-.1077;.9664,5.1467,.1219;1.7221,-4.9462,-.1127;-.9732,-5.1493,.1206;4.9429,1.7271,.1082;5.1506,-.9677,-.1241;-4.9397,-1.7307,.1128;-5.1468,.9646,-.1184;3.7266,-3.2084,-.296;4.2147,-3.5292,-1.5726;4.3577,-3.8357,.7923;5.2653,-4.4243,-1.7582;5.4109,-4.7368,.6281;5.8641,-5.0306,-.6566;3.7435,-3.0533,-2.4376;5.6161,-4.6494,-2.7682;5.8755,-5.2031,1.4989;6.6891,-5.7348,-.7882;-3.2027,-3.7267,.2945;-3.5122,-4.2265,1.5706;-3.8406,-4.349,-.7941;-4.4065,-5.2787,1.7563;-4.741,-5.4036,-.63;-5.0237,-5.868,.6545;-3.0281,-3.7628,2.4352;-4.6223,-5.638,2.7654;-5.2151,-5.861,-1.5005;-5.7271,-6.6938,.7857;-3.7247,3.2024,-.2898;-4.3502,3.8349,.8001;-4.2203,3.518,-1.5686;-5.4052,4.7373,.6366;-5.2726,4.4138,-1.7542;-5.8663,5.0268,-.6507;-3.7536,3.0377,-2.4337;-5.8653,5.2075,1.5077;-5.6282,4.6341,-2.7637;-6.6915,5.731,-.7815;3.2061,3.7244,.2913;3.8336,4.3535,-.7989;3.5266,4.2157,1.5696;4.7356,5.4084,-.6358;4.4222,5.2678,1.7546;5.0297,5.8653,.6509;3.0502,3.7459,2.4352;5.2021,5.8715,-1.5074;4.6467,5.6203,2.7643;5.7337,6.6906,.7813;-3.4724,-3.7636,-2.5679;-3.771,3.4587,2.5747;3.451,3.7783,-2.5734;3.7848,-3.4525,2.567;.001,-.002,.0002;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0341562 0.0341299 0.0205333</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.788135" y3="1.213262" z3="-0.093506">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.975155" y3="0.083722" z3="-0.006122">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.882854" y3="-0.984023" z3="0.081206">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.506839" y3="4.232743" z3="-0.055047">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.867341" y3="4.165844" z3="0.066274">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="1.214952" y3="2.782074" z3="0.093132">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.084333" y3="1.972111" z3="0.00581">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-0.981895" y3="2.879579" z3="-0.080727">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.542751" y3="-4.227024" z3="-0.058628">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.832133" y3="-4.174489" z3="0.063861">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-1.200283" y3="-2.791701" z3="0.092786">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.076222" y3="-1.973541" z3="0.004894">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="0.999177" y3="-2.872031" z3="-0.083352">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.227923" y3="0.505686" z3="0.054336">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.160826" y3="-0.867741" z3="-0.067731">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.778891" y3="-1.21653" z3="-0.094604">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.970421" y3="-0.086221" z3="-0.006597">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.875456" y3="0.980042" z3="0.080479">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.23668" y3="-0.510498" z3="0.05611">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.17234" y3="0.862128" z3="-0.065688">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.330464" y3="2.528062" z3="-0.145505">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.327564" y3="-2.519502" z3="-0.14705">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.525227" y3="2.324327" z3="0.144984">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.528397" y3="-2.335486" z3="0.146212">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-1.135949" y3="5.120499" z3="-0.110173">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="1.578864" y3="4.991531" z3="0.116827">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="1.183243" y3="-5.108169" z3="-0.11521">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-1.532197" y3="-5.008678" z3="0.113833">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.115718" y3="1.134969" z3="0.10964">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.986961" y3="-1.579172" z3="-0.118867">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.123609" y3="-1.140931" z3="0.111906">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.999495" y3="1.571608" z3="-0.115989">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.333158" y3="-3.601718" z3="-0.284024">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="3.782226" y3="-3.97254" z3="-1.565162">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="3.884304" y3="-4.293049" z3="0.808203">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="4.728344" y3="-4.981933" z3="-1.757357">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="4.832066" y3="-5.308601" z3="0.634857">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="5.25457" y3="-5.654174" z3="-0.647952">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.36709" y3="-3.444776" z3="-2.428575">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="5.052162" y3="-5.243279" z3="-2.767469">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="5.240168" y3="-5.825851" z3="1.505576">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="5.995211" y3="-6.446994" z3="-0.776561">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.614456" y3="-3.342101" z3="0.28335">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-3.973293" y3="-3.798473" z3="1.558026">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.313481" y3="-3.881441" z3="-0.802895">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-4.980168" y3="-4.74118" z3="1.749468">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-5.327058" y3="-4.825914" z3="-0.629707">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-5.66098" y3="-5.255564" z3="0.645788">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.43742" y3="-3.391482" z3="2.420101">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-5.233676" y3="-5.072567" z3="2.758988">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-5.852111" y3="-5.226389" z3="-1.499185">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-6.454213" y3="-5.995396" z3="0.774989">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.33604" y3="3.611844" z3="-0.2811">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-3.878874" y3="4.305475" z3="0.803663">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-3.786822" y3="3.97487" z3="-1.543248">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-4.818173" y3="5.313791" z3="0.633792">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-4.72561" y3="4.978167" z3="-1.72797">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-5.239652" y3="5.649274" z3="-0.627208">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.378208" y3="3.444195" z3="-2.407586">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-5.221236" y3="5.834944" z3="1.503924">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-5.055924" y3="5.237679" z3="-2.735989">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-5.979341" y3="6.442703" z3="-0.753507">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.609473" y3="3.32888" z3="0.28056">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.300656" y3="3.876053" z3="-0.806369">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="3.977476" y3="3.776054" z3="1.547314">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="5.311115" y3="4.81629" z3="-0.63595">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="4.982724" y3="4.715383" z3="1.733583">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="5.651911" y3="5.23486" z3="0.630447">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.449302" y3="3.364105" z3="2.411701">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="5.829637" y3="5.222257" z3="-1.506421">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="5.245113" y3="5.041567" z3="2.742309">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="6.445676" y3="5.974223" z3="0.75729">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.891606" y3="-3.347153" z3="-2.590752">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.348901" y3="3.876184" z3="2.58955">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.867112" y3="3.352127" z3="-2.593284">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.362086" y3="-3.859656" z3="2.597579">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.001332" y3="-0.000597" z3="-0.000447">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7881,1.2133,-.0935;-1.9752,.0837,-.0061;-2.8829,-.984,.0812;-.5068,4.2327,-.055;.8673,4.1658,.0663;1.215,2.7821,.0931;.0843,1.9721,.0058;-.9819,2.8796,-.0807;.5428,-4.227,-.0586;-.8321,-4.1745,.0639;-1.2003,-2.7917,.0928;-.0762,-1.9735,.0049;.9992,-2.872,-.0834;4.2279,.5057,.0543;4.1608,-.8677,-.0677;2.7789,-1.2165,-.0946;1.9704,-.0862,-.0066;2.8755,.98,.0805;-4.2367,-.5105,.0561;-4.1723,.8621,-.0657;-2.3305,2.5281,-.1455;2.3276,-2.5195,-.147;2.5252,2.3243,.145;-2.5284,-2.3355,.1462;-1.1359,5.1205,-.1102;1.5789,4.9915,.1168;1.1832,-5.1082,-.1152;-1.5322,-5.0087,.1138;5.1157,1.135,.1096;4.987,-1.5792,-.1189;-5.1236,-1.1409,.1119;-4.9995,1.5716,-.116;3.3332,-3.6017,-.284;3.7822,-3.9725,-1.5652;3.8843,-4.293,.8082;4.7283,-4.9819,-1.7574;4.8321,-5.3086,.6349;5.2546,-5.6542,-.648;3.3671,-3.4448,-2.4286;5.0522,-5.2433,-2.7675;5.2402,-5.8259,1.5056;5.9952,-6.447,-.7766;-3.6145,-3.3421,.2833;-3.9733,-3.7985,1.558;-4.3135,-3.8814,-.8029;-4.9802,-4.7412,1.7495;-5.3271,-4.8259,-.6297;-5.661,-5.2556,.6458;-3.4374,-3.3915,2.4201;-5.2337,-5.0726,2.759;-5.8521,-5.2264,-1.4992;-6.4542,-5.9954,.775;-3.336,3.6118,-.2811;-3.8789,4.3055,.8037;-3.7868,3.9749,-1.5432;-4.8182,5.3138,.6338;-4.7256,4.9782,-1.728;-5.2397,5.6493,-.6272;-3.3782,3.4442,-2.4076;-5.2212,5.8349,1.5039;-5.0559,5.2377,-2.736;-5.9793,6.4427,-.7535;3.6095,3.3289,.2806;4.3007,3.8761,-.8064;3.9775,3.7761,1.5473;5.3111,4.8163,-.636;4.9827,4.7154,1.7336;5.6519,5.2349,.6304;3.4493,3.3641,2.4117;5.8296,5.2223,-1.5064;5.2451,5.0416,2.7423;6.4457,5.9742,.7573;-3.8916,-3.3472,-2.5908;-3.3489,3.8762,2.5896;3.8671,3.3521,-2.5933;3.3621,-3.8597,2.5976;-.0013,-.0006,-.0004;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0341268 0.0340627 0.0205478</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.836391" y3="1.079318" z3="-0.091166">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.972894" y3="-0.00977" z3="-0.004908">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.827734" y3="-1.110455" z3="0.081583">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.701428" y3="4.196951" z3="-0.05403">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.661992" y3="4.202154" z3="0.065308">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="1.081379" y3="2.836147" z3="0.092553">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.00731" y3="1.972239" z3="0.006091">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.108264" y3="2.826788" z3="-0.079168">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.695273" y3="-4.202902" z3="-0.057634">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.667732" y3="-4.203979" z3="0.063548">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-1.083082" y3="-2.838147" z3="0.09236">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.007048" y3="-1.976308" z3="0.004806">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.106644" y3="-2.832694" z3="-0.082682">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.200807" y3="0.701279" z3="0.053827">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.205935" y3="-0.661726" z3="-0.066847">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.839725" y3="-1.082396" z3="-0.0942">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.975691" y3="0.006703" z3="-0.006443">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.829985" y3="1.107963" z3="0.079777">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.197679" y3="-0.702792" z3="0.057602">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.202376" y3="0.660613" z3="-0.062483">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.438008" y3="2.415626" z3="-0.142972">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.44062" y3="-2.421598" z3="-0.147248">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.418561" y3="2.437923" z3="0.144153">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.417515" y3="-2.43945" z3="0.145423">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-1.37509" y3="5.05231" z3="-0.108994">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="1.328235" y3="5.06384" z3="0.114983">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="1.365904" y3="-5.060279" z3="-0.114056">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-1.336692" y3="-5.06396" z3="0.113427">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.056123" y3="1.374947" z3="0.109175">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.067864" y3="-1.327615" z3="-0.117424">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.053325" y3="-1.375993" z3="0.113679">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.063854" y3="1.327206" z3="-0.111664">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.493371" y3="-3.464223" z3="-0.283491">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="3.959412" y3="-3.818717" z3="-1.559533">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="4.071643" y3="-4.130924" z3="0.807355">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="4.943849" y3="-4.785673" z3="-1.746174">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="5.058519" y3="-5.104453" z3="0.640227">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="5.49468" y3="-5.432104" z3="-0.640318">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.52459" y3="-3.310466" z3="-2.425069">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="5.279776" y3="-5.035101" z3="-2.755289">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="5.486454" y3="-5.603141" z3="1.512364">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="6.267589" y3="-6.193573" z3="-0.768033">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.459205" y3="-3.492208" z3="0.281422">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-3.802463" y3="-3.969116" z3="1.558364">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.13623" y3="-4.061895" z3="-0.809077">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-4.768905" y3="-4.955256" z3="1.745368">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-5.109507" y3="-5.050272" z3="-0.64121">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-5.426212" y3="-5.497044" z3="0.640115">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.286282" y3="-3.541769" z3="2.422869">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-5.009411" y3="-5.299353" z3="2.753962">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-5.615838" y3="-5.471267" z3="-1.512358">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-6.186977" y3="-6.270587" z3="0.768386">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.491026" y3="3.458034" z3="-0.27706">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-4.063469" y3="4.12964" z3="0.817414">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-3.96614" y3="3.809463" z3="-1.555278">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-5.052454" y3="5.105203" z3="0.653281">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-4.953102" y3="4.778276" z3="-1.740016">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-5.497748" y3="5.430121" z3="-0.631136">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.536796" y3="3.29797" z3="-2.421738">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-5.474851" y3="5.606675" z3="1.526607">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-5.294931" y3="5.02433" z3="-2.748086">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-6.270905" y3="6.191819" z3="-0.757091">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.460972" y3="3.490927" z3="0.278531">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.128254" y3="4.067613" z3="-0.81539">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="3.816454" y3="3.960994" z3="1.556193">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="5.103225" y3="5.056297" z3="-0.650973">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="4.784856" y3="4.947438" z3="1.740964">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="5.431993" y3="5.496569" z3="0.632408">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.308339" y3="3.528072" z3="2.422842">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="5.601537" y3="5.482201" z3="-1.524372">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="5.034378" y3="5.285606" z3="2.749397">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="6.193475" y3="6.269863" z3="0.758492">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.734137" y3="-3.504949" z3="-2.591285">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.508503" y3="3.716358" z3="2.597577">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.710328" y3="3.518444" z3="-2.596152">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.526984" y3="-3.714861" z3="2.590037">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.001175" y3="-0.001937" z3="-0.000124">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8364,1.0793,-.0912;-1.9729,-.0098,-.0049;-2.8277,-1.1105,.0816;-.7014,4.197,-.054;.662,4.2022,.0653;1.0814,2.8361,.0926;-.0073,1.9722,.0061;-1.1083,2.8268,-.0792;.6953,-4.2029,-.0576;-.6677,-4.204,.0635;-1.0831,-2.8381,.0924;.007,-1.9763,.0048;1.1066,-2.8327,-.0827;4.2008,.7013,.0538;4.2059,-.6617,-.0668;2.8397,-1.0824,-.0942;1.9757,.0067,-.0064;2.83,1.108,.0798;-4.1977,-.7028,.0576;-4.2024,.6606,-.0625;-2.438,2.4156,-.143;2.4406,-2.4216,-.1472;2.4186,2.4379,.1442;-2.4175,-2.4394,.1454;-1.3751,5.0523,-.109;1.3282,5.0638,.115;1.3659,-5.0603,-.1141;-1.3367,-5.064,.1134;5.0561,1.3749,.1092;5.0679,-1.3276,-.1174;-5.0533,-1.376,.1137;-5.0639,1.3272,-.1117;3.4934,-3.4642,-.2835;3.9594,-3.8187,-1.5595;4.0716,-4.1309,.8074;4.9438,-4.7857,-1.7462;5.0585,-5.1045,.6402;5.4947,-5.4321,-.6403;3.5246,-3.3105,-2.4251;5.2798,-5.0351,-2.7553;5.4865,-5.6031,1.5124;6.2676,-6.1936,-.768;-3.4592,-3.4922,.2814;-3.8025,-3.9691,1.5584;-4.1362,-4.0619,-.8091;-4.7689,-4.9553,1.7454;-5.1095,-5.0503,-.6412;-5.4262,-5.497,.6401;-3.2863,-3.5418,2.4229;-5.0094,-5.2994,2.754;-5.6158,-5.4713,-1.5124;-6.187,-6.2706,.7684;-3.491,3.458,-.2771;-4.0635,4.1296,.8174;-3.9661,3.8095,-1.5553;-5.0525,5.1052,.6533;-4.9531,4.7783,-1.74;-5.4977,5.4301,-.6311;-3.5368,3.298,-2.4217;-5.4749,5.6067,1.5266;-5.2949,5.0243,-2.7481;-6.2709,6.1918,-.7571;3.461,3.4909,.2785;4.1283,4.0676,-.8154;3.8165,3.961,1.5562;5.1032,5.0563,-.651;4.7849,4.9474,1.741;5.432,5.4966,.6324;3.3083,3.5281,2.4228;5.6015,5.4822,-1.5244;5.0344,5.2856,2.7494;6.1935,6.2699,.7585;-3.7341,-3.5049,-2.5913;-3.5085,3.7164,2.5976;3.7103,3.5184,-2.5962;3.527,-3.7149,2.59;.0012,-.0019,-.0001;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340875 0.0340594 0.0205387</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.78744" y3="1.218811" z3="-0.091542">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.974538" y3="0.081243" z3="-0.005208">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.878449" y3="-0.975888" z3="0.080428">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.501501" y3="4.226959" z3="-0.055798">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.870411" y3="4.169841" z3="0.063702">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="1.220141" y3="2.782147" z3="0.091496">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.080875" y3="1.971733" z3="0.005341">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-0.974618" y3="2.876609" z3="-0.07963">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.53477" y3="-4.218819" z3="-0.058584">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.838876" y3="-4.179024" z3="0.062054">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-1.207279" y3="-2.790463" z3="0.091629">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.074749" y3="-1.971194" z3="0.004792">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="0.987335" y3="-2.867361" z3="-0.081516">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.220973" y3="0.495296" z3="0.05504">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.162332" y3="-0.877158" z3="-0.065191">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.776123" y3="-1.222351" z3="-0.092452">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.967718" y3="-0.084197" z3="-0.005695">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.872601" y3="0.969573" z3="0.079535">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.229957" y3="-0.50544" z3="0.05713">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.175576" y3="0.865776" z3="-0.062904">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.327325" y3="2.530807" z3="-0.143082">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.320374" y3="-2.520636" z3="-0.144039">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.528652" y3="2.320789" z3="0.142848">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.528905" y3="-2.331899" z3="0.144207">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-1.135252" y3="5.112762" z3="-0.111415">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="1.578816" y3="4.997585" z3="0.112605">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="1.181439" y3="-5.096461" z3="-0.115674">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-1.535284" y3="-5.015233" z3="0.110409">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.107547" y3="1.127953" z3="0.11065">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.988672" y3="-1.587502" z3="-0.114848">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.114511" y3="-1.140956" z3="0.113383">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.004775" y3="1.572249" z3="-0.111653">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.323731" y3="-3.608467" z3="-0.277302">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="3.777115" y3="-3.989504" z3="-1.554305">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="3.876749" y3="-4.306465" z3="0.816906">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="4.719505" y3="-5.004213" z3="-1.734814">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="4.820646" y3="-5.327055" z3="0.658288">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="5.241804" y3="-5.675262" z3="-0.627704">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.367155" y3="-3.464441" z3="-2.422245">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="5.04483" y3="-5.271053" z3="-2.743414">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="5.224312" y3="-5.842881" z3="1.531511">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="5.979357" y3="-6.471365" z3="-0.755429">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.618399" y3="-3.33806" z3="0.277616">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-3.988852" y3="-3.800739" z3="1.546187">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.321185" y3="-3.879386" z3="-0.811636">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-4.999251" y3="-4.741314" z3="1.72509">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-5.337747" y3="-4.821167" z3="-0.655153">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-5.675804" y3="-5.251543" z3="0.62244">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.457416" y3="-3.398541" z3="2.413898">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-5.259123" y3="-5.075513" z3="2.732421">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-5.859217" y3="-5.217193" z3="-1.528345">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-6.471232" y3="-5.989832" z3="0.7489">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.331255" y3="3.619099" z3="-0.27529">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-3.87604" y3="4.317927" z3="0.806984">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-3.784046" y3="3.98913" z3="-1.533379">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-4.81098" y3="5.328667" z3="0.647591">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-4.717669" y3="4.994139" z3="-1.710096">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-5.229546" y3="5.66456" z3="-0.614275">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.378773" y3="3.460139" z3="-2.400671">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-5.211399" y3="5.849406" z3="1.518777">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-5.047985" y3="5.256953" z3="-2.717625">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-5.966711" y3="6.460345" z3="-0.741329">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.618154" y3="3.323559" z3="0.274905">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.314906" y3="3.872052" z3="-0.811058">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="3.993972" y3="3.773482" z3="1.538409">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="5.328902" y3="4.808064" z3="-0.651879">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="5.002221" y3="4.707977" z3="1.716175">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="5.670901" y3="5.224509" z3="0.616952">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.467468" y3="3.365498" z3="2.406055">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="5.846952" y3="5.210661" z3="-1.523831">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="5.268346" y3="5.034524" z3="2.724173">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="6.46749" y3="5.961014" z3="0.744171">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.88585" y3="-3.337053" z3="-2.581599">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.345515" y3="3.884411" z3="2.580307">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.875269" y3="3.34566" z3="-2.584569">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.348546" y3="-3.861914" z3="2.589399">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.002356" y3="0.000183" z3="-0.000109">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7874,1.2188,-.0915;-1.9745,.0812,-.0052;-2.8784,-.9759,.0804;-.5015,4.227,-.0558;.8704,4.1698,.0637;1.2201,2.7821,.0915;.0809,1.9717,.0053;-.9746,2.8766,-.0796;.5348,-4.2188,-.0586;-.8389,-4.179,.0621;-1.2073,-2.7905,.0916;-.0747,-1.9712,.0048;.9873,-2.8674,-.0815;4.221,.4953,.055;4.1623,-.8772,-.0652;2.7761,-1.2224,-.0925;1.9677,-.0842,-.0057;2.8726,.9696,.0795;-4.23,-.5054,.0571;-4.1756,.8658,-.0629;-2.3273,2.5308,-.1431;2.3204,-2.5206,-.144;2.5287,2.3208,.1428;-2.5289,-2.3319,.1442;-1.1353,5.1128,-.1114;1.5788,4.9976,.1126;1.1814,-5.0965,-.1157;-1.5353,-5.0152,.1104;5.1075,1.128,.1106;4.9887,-1.5875,-.1148;-5.1145,-1.141,.1134;-5.0048,1.5722,-.1117;3.3237,-3.6085,-.2773;3.7771,-3.9895,-1.5543;3.8767,-4.3065,.8169;4.7195,-5.0042,-1.7348;4.8206,-5.3271,.6583;5.2418,-5.6753,-.6277;3.3672,-3.4644,-2.4222;5.0448,-5.2711,-2.7434;5.2243,-5.8429,1.5315;5.9794,-6.4714,-.7554;-3.6184,-3.3381,.2776;-3.9889,-3.8007,1.5462;-4.3212,-3.8794,-.8116;-4.9993,-4.7413,1.7251;-5.3377,-4.8212,-.6552;-5.6758,-5.2515,.6224;-3.4574,-3.3985,2.4139;-5.2591,-5.0755,2.7324;-5.8592,-5.2172,-1.5283;-6.4712,-5.9898,.7489;-3.3313,3.6191,-.2753;-3.876,4.3179,.807;-3.784,3.9891,-1.5334;-4.811,5.3287,.6476;-4.7177,4.9941,-1.7101;-5.2295,5.6646,-.6143;-3.3788,3.4601,-2.4007;-5.2114,5.8494,1.5188;-5.048,5.257,-2.7176;-5.9667,6.4603,-.7413;3.6182,3.3236,.2749;4.3149,3.8721,-.8111;3.994,3.7735,1.5384;5.3289,4.8081,-.6519;5.0022,4.708,1.7162;5.6709,5.2245,.617;3.4675,3.3655,2.4061;5.847,5.2107,-1.5238;5.2683,5.0345,2.7242;6.4675,5.961,.7442;-3.8859,-3.3371,-2.5816;-3.3455,3.8844,2.5803;3.8753,3.3457,-2.5846;3.3485,-3.8619,2.5894;-.0024,.0002,-.0001;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0341427 0.0341063 0.0205370</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.908301" y3="0.869356" z3="-0.08934">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.966258" y3="-0.157094" z3="-0.004297">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.73699" y3="-1.313769" z3="0.081049">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-1.007261" y3="4.131572" z3="-0.055086">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.352585" y3="4.240357" z3="0.062774">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="0.872309" y3="2.907526" z3="0.090755">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.153967" y3="1.965084" z3="0.005668">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.311145" y3="2.735869" z3="-0.078524">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="1.004324" y3="-4.137843" z3="-0.057894">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.355468" y3="-4.245164" z3="0.06173">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-0.872504" y3="-2.911508" z3="0.091102">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.154675" y3="-1.969825" z3="0.004787">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.310562" y3="-2.742005" z3="-0.081391">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.135033" y3="1.007542" z3="0.054696">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.244672" y3="-0.35229" z3="-0.064384">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.911525" y3="-0.872441" z3="-0.09217">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.968354" y3="0.153189" z3="-0.005854">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.739306" y3="1.310634" z3="0.079055">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.132559" y3="-1.009815" z3="0.058656">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.241173" y3="0.35016" z3="-0.05999">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.609089" y3="2.229865" z3="-0.140836">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.611511" y3="-2.235569" z3="-0.144552">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.232967" y3="2.608569" z3="0.141917">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.231467" y3="-2.611515" z3="0.143587">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-1.743916" y3="4.933774" z3="-0.110246">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="0.953077" y3="5.148943" z3="0.111126">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="1.739673" y3="-4.940874" z3="-0.114464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-0.957348" y3="-5.152867" z3="0.110311">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.936849" y3="1.744631" z3="0.110095">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.153373" y3="-0.952273" z3="-0.113681">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.934763" y3="-1.746362" z3="0.114917">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.149642" y3="0.950893" z3="-0.107935">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.738186" y3="-3.197642" z3="-0.277062">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.233122" y3="-3.52187" z3="-1.550175">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="4.36429" y3="-3.820092" z3="0.815776">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="5.286583" y3="-4.415154" z3="-1.729055">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="5.420414" y3="-4.719369" z3="0.658652">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="5.881501" y3="-5.016586" z3="-0.622092">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.764629" y3="-3.04985" z3="-2.418806">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="5.642483" y3="-4.642411" z3="-2.736801">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="5.880911" y3="-5.182546" z3="1.533262">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="6.708422" y3="-5.719681" z3="-0.747085">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.192827" y3="-3.738121" z3="0.275906">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-3.506416" y3="-4.243408" z3="1.548819">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-3.825292" y3="-4.356167" z3="-0.817143">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-4.399233" y3="-5.298262" z3="1.727783">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-4.724397" y3="-5.413404" z3="-0.65996">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-5.011178" y3="-5.884466" z3="0.620698">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.026509" y3="-3.781904" z3="2.416932">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-4.617908" y3="-5.661797" z3="2.734709">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-5.195013" y3="-5.867309" z3="-1.534073">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-5.713773" y3="-6.711892" z3="0.745421">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.736125" y3="3.191627" z3="-0.271579">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-4.357382" y3="3.819645" z3="0.823008">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.238232" y3="3.510585" z3="-1.54753">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-5.415836" y3="4.720486" z3="0.666055">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-5.293993" y3="4.404877" z3="-1.726928">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-5.884582" y3="5.013212" z3="-0.617763">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.773808" y3="3.034101" z3="-2.415995">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-5.872157" y3="5.18768" z3="1.540851">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-5.654346" y3="4.627212" z3="-2.734283">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-6.711766" y3="5.716245" z3="-0.742111">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.194634" y3="3.735567" z3="0.272801">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="3.818046" y3="4.360396" z3="-0.821664">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="3.518058" y3="4.233299" z3="1.547908">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="4.718238" y3="5.418404" z3="-0.664887">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="4.412001" y3="5.288537" z3="1.726815">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="5.015124" y3="5.882686" z3="0.617806">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.045274" y3="3.765884" z3="2.416758">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="5.181982" y3="5.877669" z3="-1.539941">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="4.638173" y3="5.645876" z3="2.734357">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="5.717995" y3="6.709995" z3="0.742032">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.456612" y3="-3.763282" z3="-2.589261">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.769306" y3="3.445112" z3="2.595923">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.437992" y3="3.776549" z3="-2.594676">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.782273" y3="-3.438364" z3="2.58848">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000965" y3="-0.002268" z3="0.000084">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.9083,.8694,-.0893;-1.9663,-.1571,-.0043;-2.737,-1.3138,.081;-1.0073,4.1316,-.0551;.3526,4.2404,.0628;.8723,2.9075,.0908;-.154,1.9651,.0057;-1.3111,2.7359,-.0785;1.0043,-4.1378,-.0579;-.3555,-4.2452,.0617;-.8725,-2.9115,.0911;.1547,-1.9698,.0048;1.3106,-2.742,-.0814;4.135,1.0075,.0547;4.2447,-.3523,-.0644;2.9115,-.8724,-.0922;1.9684,.1532,-.0059;2.7393,1.3106,.0791;-4.1326,-1.0098,.0587;-4.2412,.3502,-.06;-2.6091,2.2299,-.1408;2.6115,-2.2356,-.1446;2.233,2.6086,.1419;-2.2315,-2.6115,.1436;-1.7439,4.9338,-.1102;.9531,5.1489,.1111;1.7397,-4.9409,-.1145;-.9573,-5.1529,.1103;4.9368,1.7446,.1101;5.1534,-.9523,-.1137;-4.9348,-1.7464,.1149;-5.1496,.9509,-.1079;3.7382,-3.1976,-.2771;4.2331,-3.5219,-1.5502;4.3643,-3.8201,.8158;5.2866,-4.4152,-1.7291;5.4204,-4.7194,.6587;5.8815,-5.0166,-.6221;3.7646,-3.0499,-2.4188;5.6425,-4.6424,-2.7368;5.8809,-5.1825,1.5333;6.7084,-5.7197,-.7471;-3.1928,-3.7381,.2759;-3.5064,-4.2434,1.5488;-3.8253,-4.3562,-.8171;-4.3992,-5.2983,1.7278;-4.7244,-5.4134,-.66;-5.0112,-5.8845,.6207;-3.0265,-3.7819,2.4169;-4.6179,-5.6618,2.7347;-5.195,-5.8673,-1.5341;-5.7138,-6.7119,.7454;-3.7361,3.1916,-.2716;-4.3574,3.8196,.823;-4.2382,3.5106,-1.5475;-5.4158,4.7205,.6661;-5.294,4.4049,-1.7269;-5.8846,5.0132,-.6178;-3.7738,3.0341,-2.416;-5.8722,5.1877,1.5409;-5.6543,4.6272,-2.7343;-6.7118,5.7162,-.7421;3.1946,3.7356,.2728;3.818,4.3604,-.8217;3.5181,4.2333,1.5479;4.7182,5.4184,-.6649;4.412,5.2885,1.7268;5.0151,5.8827,.6178;3.0453,3.7659,2.4168;5.182,5.8777,-1.5399;4.6382,5.6459,2.7344;5.718,6.71,.742;-3.4566,-3.7633,-2.5893;-3.7693,3.4451,2.5959;3.438,3.7765,-2.5947;3.7823,-3.4384,2.5885;.001,-.0023,.0001;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0341193 0.0340950 0.0205520</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.72399" y3="1.353834" z3="-0.087813">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.968987" y3="0.184536" z3="-0.004367">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.928036" y3="-0.833275" z3="0.080472">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.291579" y3="4.253213" z3="-0.05759">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="1.071834" y3="4.120188" z3="0.058909">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="1.352715" y3="2.720303" z3="0.087479">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.182475" y3="1.967571" z3="0.004084">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-0.83348" y3="2.926867" z3="-0.079791">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.31517" y3="-4.245407" z3="-0.060366">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-1.049556" y3="-4.122326" z3="0.057503">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-1.344335" y3="-2.723702" z3="0.087741">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.179058" y3="-1.965194" z3="0.003522">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="0.843548" y3="-2.917878" z3="-0.082019">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.247257" y3="0.282477" z3="0.055907">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.110475" y3="-1.080329" z3="-0.061425">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.712717" y3="-1.357095" z3="-0.089536">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.963257" y3="-0.185957" z3="-0.005245">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.922509" y3="0.82805" z3="0.079013">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.255222" y3="-0.292459" z3="0.058957">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.123969" y3="1.070505" z3="-0.058161">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.198701" y3="2.645191" z3="-0.139595">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.192978" y3="-2.635352" z3="-0.141456">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.642639" y3="2.193427" z3="0.139061">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.643601" y3="-2.200375" z3="0.140638">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-0.876288" y3="5.171233" z3="-0.111862">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="1.821908" y3="4.910535" z3="0.10636">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="0.908144" y3="-5.159237" z3="-0.116003">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-1.792207" y3="-4.918972" z3="0.104755">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.16686" y3="0.864524" z3="0.110135">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.898975" y3="-1.833125" z3="-0.109776">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.172634" y3="-0.878113" z3="0.114067">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.915418" y3="1.819275" z3="-0.105308">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.14202" y3="-3.7693" z3="-0.268917">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="3.580465" y3="-4.174635" z3="-1.543886">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="3.6481" y3="-4.480985" z3="0.833286">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="4.472569" y3="-5.2337" z3="-1.718324">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="4.541893" y3="-5.546526" z3="0.677292">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="4.954169" y3="-5.923097" z3="-0.600817">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.200446" y3="-3.633453" z3="-2.41519">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="4.789874" y3="-5.520687" z3="-2.72354">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="4.915151" y3="-6.077878" z3="1.555133">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="5.65256" y3="-6.755081" z3="-0.718178">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.779494" y3="-3.151165" z3="0.26824">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-4.173926" y3="-3.598136" z3="1.537134">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.496919" y3="-3.646363" z3="-0.828314">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-5.229121" y3="-4.488184" z3="1.711089">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-5.559013" y3="-4.53799" z3="-0.672701">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-5.924965" y3="-4.95856" z3="0.599342">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.62606" y3="-3.225685" z3="2.407353">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-5.508814" y3="-4.813488" z3="2.715657">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-6.096706" y3="-4.904053" z3="-1.5496">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-6.7565" y3="-5.657171" z3="0.717181">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.147063" y3="3.780336" z3="-0.265667">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-3.643511" y3="4.492182" z3="0.827159">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-3.587142" y3="4.177865" z3="-1.520584">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-4.527273" y3="5.547836" z3="0.67462">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-4.46987" y3="5.227792" z3="-1.687458">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-4.93854" y3="5.913942" z3="-0.581237">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.213908" y3="3.634352" z3="-2.392857">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-4.89526" y3="6.082777" z3="1.551921">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-4.793503" y3="5.513258" z3="-2.690545">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-5.635863" y3="6.746392" z3="-0.696617">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.779389" y3="3.140755" z3="0.265267">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.48949" y3="3.641192" z3="-0.830991">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="4.182549" y3="3.577512" z3="1.526774">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="5.549335" y3="4.526347" z3="-0.678212">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="5.236387" y3="4.4613" z3="1.695704">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="5.921922" y3="4.935407" z3="0.585634">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.641028" y3="3.201123" z3="2.399112">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="6.081798" y3="4.896797" z3="-1.556172">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="5.524632" y3="4.780568" z3="2.699564">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="6.75522" y3="5.631904" z3="0.701464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.027344" y3="-3.115459" z3="-2.603122">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.117062" y3="4.01593" z3="2.599895">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.007931" y3="3.120176" z3="-2.604463">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.129343" y3="-4.000985" z3="2.609817">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.002023" y3="0.001201" z3="-0.000447">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.724,1.3538,-.0878;-1.969,.1845,-.0044;-2.928,-.8333,.0805;-.2916,4.2532,-.0576;1.0718,4.1202,.0589;1.3527,2.7203,.0875;.1825,1.9676,.0041;-.8335,2.9269,-.0798;.3152,-4.2454,-.0604;-1.0496,-4.1223,.0575;-1.3443,-2.7237,.0877;-.1791,-1.9652,.0035;.8435,-2.9179,-.082;4.2473,.2825,.0559;4.1105,-1.0803,-.0614;2.7127,-1.3571,-.0895;1.9633,-.186,-.0052;2.9225,.828,.079;-4.2552,-.2925,.059;-4.124,1.0705,-.0582;-2.1987,2.6452,-.1396;2.193,-2.6354,-.1415;2.6426,2.1934,.1391;-2.6436,-2.2004,.1406;-.8763,5.1712,-.1119;1.8219,4.9105,.1064;.9081,-5.1592,-.116;-1.7922,-4.919,.1048;5.1669,.8645,.1101;4.899,-1.8331,-.1098;-5.1726,-.8781,.1141;-4.9154,1.8193,-.1053;3.142,-3.7693,-.2689;3.5805,-4.1746,-1.5439;3.6481,-4.481,.8333;4.4726,-5.2337,-1.7183;4.5419,-5.5465,.6773;4.9542,-5.9231,-.6008;3.2004,-3.6335,-2.4152;4.7899,-5.5207,-2.7235;4.9152,-6.0779,1.5551;5.6526,-6.7551,-.7182;-3.7795,-3.1512,.2682;-4.1739,-3.5981,1.5371;-4.4969,-3.6464,-.8283;-5.2291,-4.4882,1.7111;-5.559,-4.538,-.6727;-5.925,-4.9586,.5993;-3.6261,-3.2257,2.4074;-5.5088,-4.8135,2.7157;-6.0967,-4.9041,-1.5496;-6.7565,-5.6572,.7172;-3.1471,3.7803,-.2657;-3.6435,4.4922,.8272;-3.5871,4.1779,-1.5206;-4.5273,5.5478,.6746;-4.4699,5.2278,-1.6875;-4.9385,5.9139,-.5812;-3.2139,3.6344,-2.3929;-4.8953,6.0828,1.5519;-4.7935,5.5133,-2.6905;-5.6359,6.7464,-.6966;3.7794,3.1408,.2653;4.4895,3.6412,-.831;4.1825,3.5775,1.5268;5.5493,4.5263,-.6782;5.2364,4.4613,1.6957;5.9219,4.9354,.5856;3.641,3.2011,2.3991;6.0818,4.8968,-1.5562;5.5246,4.7806,2.6996;6.7552,5.6319,.7015;-4.0273,-3.1155,-2.6031;-3.1171,4.0159,2.5999;4.0079,3.1202,-2.6045;3.1293,-4.001,2.6098;-.002,.0012,-.0004;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0342347 0.0341846 0.0206476</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.830545" y3="1.096438" z3="-0.086368">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.973144" y3="0.000883" z3="-0.00367">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.834124" y3="-1.09468" z3="0.080539">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.676856" y3="4.200779" z3="-0.056572">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.68784" y3="4.198162" z3="0.058803">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="1.099107" y3="2.829794" z3="0.087324">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.003862" y3="1.972212" z3="0.004484">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.091913" y3="2.832855" z3="-0.078529">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.674006" y3="-4.20678" z3="-0.059371">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.690289" y3="-4.201666" z3="0.057721">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-1.09935" y3="-2.83327" z3="0.08761">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.003078" y3="-1.976809" z3="0.003626">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.091885" y3="-2.838782" z3="-0.081369">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.20456" y3="0.677984" z3="0.055867">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.202717" y3="-0.686395" z3="-0.060652">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.834025" y3="-1.099576" z3="-0.089134">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.975918" y3="-0.004292" z3="-0.0051">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.836096" y3="1.09201" z3="0.078664">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.201899" y3="-0.679007" z3="0.059632">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.198932" y3="0.68551" z3="-0.056451">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.424424" y3="2.429793" z3="-0.137734">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.427362" y3="-2.435559" z3="-0.141438">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.432641" y3="2.42402" z3="0.138435">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.431841" y3="-2.426686" z3="0.140004">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-1.34571" y3="5.060014" z3="-0.11063">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="1.359489" y3="5.055877" z3="0.10578">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="1.340784" y3="-5.067345" z3="-0.114755">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-1.363335" y3="-5.058465" z3="0.104924">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.063338" y3="1.347473" z3="0.110183">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.061005" y3="-1.357141" z3="-0.108476">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.061321" y3="-1.347526" z3="0.114814">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.056542" y3="1.357332" z3="-0.102927">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.474978" y3="-3.484101" z3="-0.268138">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="3.946939" y3="-3.849637" z3="-1.538742">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="4.042141" y3="-4.148319" z3="0.831045">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="4.92673" y3="-4.824102" z3="-1.711686">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="5.024098" y3="-5.128985" z3="0.677651">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="5.466336" y3="-5.466782" z3="-0.598385">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.520952" y3="-3.344481" z3="-2.410467">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="5.267976" y3="-5.082283" z3="-2.71686">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="5.442681" y3="-5.625064" z3="1.555689">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="6.235218" y3="-6.233941" z3="-0.716403">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.48004" y3="-3.474039" z3="0.266646">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-3.835167" y3="-3.955998" z3="1.537799">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.154362" y3="-4.033113" z3="-0.83202">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-4.809533" y3="-4.936972" z3="1.711554">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-5.135174" y3="-5.015933" z3="-0.677593">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-5.462777" y3="-5.467869" z3="0.599031">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.32227" y3="-3.537119" z3="2.40843">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-5.05935" y3="-5.28569" z3="2.716325">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-5.638726" y3="-5.427837" z3="-1.55456">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-6.2296" y3="-6.237005" z3="0.717783">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.47254" y3="3.478126" z3="-0.26273">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-4.034754" y3="4.147879" z3="0.83973">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-3.952999" y3="3.839992" z3="-1.535802">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-5.01922" y3="5.130583" z3="0.68829">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-4.935807" y3="4.816438" z3="-1.707802">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-5.470133" y3="5.465108" z3="-0.591708">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.531922" y3="3.331284" z3="-2.407965">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-5.432774" y3="5.629771" z3="1.567041">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-5.282498" y3="5.070759" z3="-2.712222">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-6.239392" y3="6.23225" z3="-0.708608">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.480759" y3="3.472059" z3="0.263734">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.14629" y3="4.03814" z3="-0.838036">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="3.846329" y3="3.947612" z3="1.535771">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="5.128094" y3="5.021988" z3="-0.686398">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="4.822053" y3="4.929606" z3="1.707509">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="5.466019" y3="5.467886" z3="0.591972">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.340871" y3="3.523231" z3="2.408181">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="5.624309" y3="5.438857" z3="-1.565219">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="5.079702" y3="5.272938" z3="2.712196">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="6.23299" y3="6.237238" z3="0.70892">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.735514" y3="-3.464506" z3="-2.605723">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.467727" y3="3.72033" z3="2.611933">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.714272" y3="3.476256" z3="-2.610645">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.484025" y3="-3.716288" z3="2.604895">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.001242" y3="-0.002187" z3="-0.000178">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8305,1.0964,-.0864;-1.9731,.0009,-.0037;-2.8341,-1.0947,.0805;-.6769,4.2008,-.0566;.6878,4.1982,.0588;1.0991,2.8298,.0873;.0039,1.9722,.0045;-1.0919,2.8329,-.0785;.674,-4.2068,-.0594;-.6903,-4.2017,.0577;-1.0994,-2.8333,.0876;-.0031,-1.9768,.0036;1.0919,-2.8388,-.0814;4.2046,.678,.0559;4.2027,-.6864,-.0607;2.834,-1.0996,-.0891;1.9759,-.0043,-.0051;2.8361,1.092,.0787;-4.2019,-.679,.0596;-4.1989,.6855,-.0565;-2.4244,2.4298,-.1377;2.4274,-2.4356,-.1414;2.4326,2.424,.1384;-2.4318,-2.4267,.14;-1.3457,5.06,-.1106;1.3595,5.0559,.1058;1.3408,-5.0673,-.1148;-1.3633,-5.0585,.1049;5.0633,1.3475,.1102;5.061,-1.3571,-.1085;-5.0613,-1.3475,.1148;-5.0565,1.3573,-.1029;3.475,-3.4841,-.2681;3.9469,-3.8496,-1.5387;4.0421,-4.1483,.831;4.9267,-4.8241,-1.7117;5.0241,-5.129,.6777;5.4663,-5.4668,-.5984;3.521,-3.3445,-2.4105;5.268,-5.0823,-2.7169;5.4427,-5.6251,1.5557;6.2352,-6.2339,-.7164;-3.48,-3.474,.2666;-3.8352,-3.956,1.5378;-4.1544,-4.0331,-.832;-4.8095,-4.937,1.7116;-5.1352,-5.0159,-.6776;-5.4628,-5.4679,.599;-3.3223,-3.5371,2.4084;-5.0594,-5.2857,2.7163;-5.6387,-5.4278,-1.5546;-6.2296,-6.237,.7178;-3.4725,3.4781,-.2627;-4.0348,4.1479,.8397;-3.953,3.84,-1.5358;-5.0192,5.1306,.6883;-4.9358,4.8164,-1.7078;-5.4701,5.4651,-.5917;-3.5319,3.3313,-2.408;-5.4328,5.6298,1.567;-5.2825,5.0708,-2.7122;-6.2394,6.2322,-.7086;3.4808,3.4721,.2637;4.1463,4.0381,-.838;3.8463,3.9476,1.5358;5.1281,5.022,-.6864;4.8221,4.9296,1.7075;5.466,5.4679,.592;3.3409,3.5232,2.4082;5.6243,5.4389,-1.5652;5.0797,5.2729,2.7122;6.233,6.2372,.7089;-3.7355,-3.4645,-2.6057;-3.4677,3.7203,2.6119;3.7143,3.4763,-2.6106;3.484,-3.7163,2.6049;.0012,-.0022,-.0002;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0341347 0.0341051 0.0205985</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.74341" y3="1.315723" z3="-0.086318">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.971013" y3="0.153625" z3="-0.003751">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.911423" y3="-0.870986" z3="0.080045">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.354574" y3="4.243711" z3="-0.057691">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="1.010153" y3="4.139715" z3="0.057892">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="1.313571" y3="2.740379" z3="0.08685">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.150066" y3="1.969502" z3="0.004295">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-0.873053" y3="2.91125" z3="-0.0786">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.372655" y3="-4.234152" z3="-0.06058">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.99389" y3="-4.140815" z3="0.056498">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-1.307969" y3="-2.741594" z3="0.087083">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.149424" y3="-1.965393" z3="0.003665">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="0.877952" y3="-2.900845" z3="-0.080858">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.236298" y3="0.342504" z3="0.056489">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.127487" y3="-1.022259" z3="-0.060064">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.730427" y3="-1.31781" z3="-0.088277">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.962992" y3="-0.154233" z3="-0.004765">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.90607" y3="0.865982" z3="0.078465">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.244828" y3="-0.354444" z3="0.059946">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.14278" y3="1.010491" z3="-0.056265">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.237094" y3="2.613036" z3="-0.137863">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.227696" y3="-2.602367" z3="-0.139956">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.610262" y3="2.231852" z3="0.138161">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.610011" y3="-2.237337" z3="0.139654">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-0.957639" y3="5.150618" z3="-0.112472">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="1.745733" y3="4.943076" z3="0.104302">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="0.984043" y3="-5.136303" z3="-0.116889">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-1.722654" y3="-4.949596" z3="0.102738">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.145356" y3="0.941906" z3="0.111164">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.927734" y3="-1.761952" z3="-0.107578">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.150862" y3="-0.958756" z3="0.115604">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.947116" y3="1.744988" z3="-0.102352">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.192438" y3="-3.727153" z3="-0.266947">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="3.630323" y3="-4.122697" z3="-1.544859">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="3.720434" y3="-4.446368" z3="0.825352">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="4.534566" y3="-5.169842" z3="-1.730096">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="4.626169" y3="-5.499409" z3="0.661286">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="5.033448" y3="-5.86096" z3="-0.625217">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.238404" y3="-3.581623" z3="-2.411256">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="4.848345" y3="-5.44608" z3="-2.739753">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="5.011832" y3="-6.031506" z3="1.532826">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="5.741345" y3="-6.683086" z3="-0.755111">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.734549" y3="-3.205327" z3="0.266504">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-4.120661" y3="-3.653991" z3="1.537291">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.456319" y3="-3.721843" z3="-0.821943">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-5.16272" y3="-4.558009" z3="1.719631">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-5.504814" y3="-4.62722" z3="-0.661237">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-5.857541" y3="-5.04522" z3="0.617926">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.574809" y3="-3.269699" z3="2.404065">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-5.432847" y3="-4.88151" z3="2.727713">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-6.041092" y3="-5.005347" z3="-1.533409">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-6.678327" y3="-5.754848" z3="0.745675">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.201239" y3="3.737824" z3="-0.263278">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-3.718326" y3="4.454504" z3="0.817063">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-3.639967" y3="4.124272" z3="-1.521258">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-4.613913" y3="5.496264" z3="0.655027">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-4.533796" y3="5.159768" z3="-1.700162">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-5.020067" y3="5.847156" z3="-0.60683">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.254016" y3="3.580691" z3="-2.388194">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-4.995002" y3="6.03197" z3="1.525743">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-4.853523" y3="5.43364" z3="-2.708021">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-5.727436" y3="6.669256" z3="-0.734491">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.737234" y3="3.195113" z3="0.26375">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.453172" y3="3.716395" z3="-0.821092">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="4.129616" y3="3.630992" z3="1.529476">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="5.500199" y3="4.613937" z3="-0.658682">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="5.170309" y3="4.526633" z3="1.71088">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="5.857856" y3="5.018429" z3="0.613064">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.58777" y3="3.242073" z3="2.396386">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="6.033614" y3="4.997199" z3="-1.530101">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="5.446911" y3="4.842029" z3="2.71955">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="6.681031" y3="5.724796" z3="0.741408">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.012515" y3="-3.201623" z3="-2.597621">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.208204" y3="4.010266" z3="2.594516">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.003622" y3="3.211326" z3="-2.599342">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.216702" y3="-3.996199" z3="2.604627">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.003218" y3="0.001921" z3="-0.000057">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7434,1.3157,-.0863;-1.971,.1536,-.0038;-2.9114,-.871,.08;-.3546,4.2437,-.0577;1.0102,4.1397,.0579;1.3136,2.7404,.0868;.1501,1.9695,.0043;-.8731,2.9112,-.0786;.3727,-4.2342,-.0606;-.9939,-4.1408,.0565;-1.308,-2.7416,.0871;-.1494,-1.9654,.0037;.878,-2.9008,-.0809;4.2363,.3425,.0565;4.1275,-1.0223,-.0601;2.7304,-1.3178,-.0883;1.963,-.1542,-.0048;2.9061,.866,.0785;-4.2448,-.3544,.0599;-4.1428,1.0105,-.0563;-2.2371,2.613,-.1379;2.2277,-2.6024,-.14;2.6103,2.2319,.1382;-2.61,-2.2373,.1397;-.9576,5.1506,-.1125;1.7457,4.9431,.1043;.984,-5.1363,-.1169;-1.7227,-4.9496,.1027;5.1454,.9419,.1112;4.9277,-1.762,-.1076;-5.1509,-.9588,.1156;-4.9471,1.745,-.1024;3.1924,-3.7272,-.2669;3.6303,-4.1227,-1.5449;3.7204,-4.4464,.8254;4.5346,-5.1698,-1.7301;4.6262,-5.4994,.6613;5.0334,-5.861,-.6252;3.2384,-3.5816,-2.4113;4.8483,-5.4461,-2.7398;5.0118,-6.0315,1.5328;5.7413,-6.6831,-.7551;-3.7345,-3.2053,.2665;-4.1207,-3.654,1.5373;-4.4563,-3.7218,-.8219;-5.1627,-4.558,1.7196;-5.5048,-4.6272,-.6612;-5.8575,-5.0452,.6179;-3.5748,-3.2697,2.4041;-5.4328,-4.8815,2.7277;-6.0411,-5.0053,-1.5334;-6.6783,-5.7548,.7457;-3.2012,3.7378,-.2633;-3.7183,4.4545,.8171;-3.64,4.1243,-1.5213;-4.6139,5.4963,.655;-4.5338,5.1598,-1.7002;-5.0201,5.8472,-.6068;-3.254,3.5807,-2.3882;-4.995,6.032,1.5257;-4.8535,5.4336,-2.708;-5.7274,6.6693,-.7345;3.7372,3.1951,.2637;4.4532,3.7164,-.8211;4.1296,3.631,1.5295;5.5002,4.6139,-.6587;5.1703,4.5266,1.7109;5.8579,5.0184,.6131;3.5878,3.2421,2.3964;6.0336,4.9972,-1.5301;5.4469,4.842,2.7195;6.681,5.7248,.7414;-4.0125,-3.2016,-2.5976;-3.2082,4.0103,2.5945;4.0036,3.2113,-2.5993;3.2167,-3.9962,2.6046;-.0032,.0019,-.0001;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340368 0.0340136 0.0205022</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.937054" y3="0.768621" z3="-0.085175">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.960019" y3="-0.224412" z3="-0.003373">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.690361" y3="-1.407899" z3="0.080152">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-1.149558" y3="4.094816" z3="-0.057412">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.206599" y3="4.250315" z3="0.057138">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="0.77141" y3="2.936177" z3="0.086181">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.221497" y3="1.958861" z3="0.004354">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.4054" y3="2.689202" z3="-0.0781">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="1.148522" y3="-4.100262" z3="-0.059695">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.207538" y3="-4.254998" z3="0.056473">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-0.770855" y3="-2.9401" z3="0.086733">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.222569" y3="-1.963198" z3="0.003742">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.405713" y3="-2.694423" z3="-0.080474">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.097676" y3="1.15039" z3="0.056748">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.254016" y3="-0.205732" z3="-0.058837">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.939682" y3="-0.771263" z3="-0.087615">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.961756" y3="0.220982" z3="-0.004673">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.692025" y3="1.40523" z3="0.078338">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.095833" y3="-1.152055" z3="0.060394">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.251298" y3="0.204144" z3="-0.054873">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.685169" y3="2.138652" z3="-0.13655">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.6874" y3="-2.143473" z3="-0.139749">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.141232" y3="2.684629" z3="0.137274">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.140168" y3="-2.687603" z3="0.138969">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-1.913341" y3="4.87115" z3="-0.111824">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="0.775844" y3="5.178968" z3="0.103182">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="1.911623" y3="-4.877025" z3="-0.115386">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-0.777438" y3="-5.183214" z3="0.102748">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.873553" y3="1.914694" z3="0.11127">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.182787" y3="-0.774479" z3="-0.10578">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.872146" y3="-1.915782" z3="0.11586">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.179899" y3="0.773504" z3="-0.100508">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.846851" y3="-3.066607" z3="-0.265437">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.355178" y3="-3.375686" z3="-1.537266">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="4.490496" y3="-3.665784" z3="0.828908">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="5.438732" y3="-4.232894" z3="-1.713902">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="5.577092" y3="-4.528909" z3="0.674416">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="6.051487" y3="-4.812397" z3="-0.604564">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.872518" y3="-2.920884" z3="-2.407325">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="5.803993" y3="-4.449006" z3="-2.720723">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="6.050832" y3="-4.97532" z3="1.550729">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="6.901978" y3="-5.487313" z3="-0.726523">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.062716" y3="-3.847131" z3="0.264566">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-3.36136" y3="-4.364799" z3="1.536111">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-3.671431" y3="-4.483444" z3="-0.830016">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-4.218018" y3="-5.449638" z3="1.712509">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-4.534372" y3="-5.57106" z3="-0.675649">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-4.807667" y3="-6.054442" z3="0.603027">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-2.89899" y3="-3.888526" z3="2.405737">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-4.425846" y3="-5.821909" z3="2.718517">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-4.988012" y3="-6.038765" z3="-1.55152">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-5.482103" y3="-6.905388" z3="0.724663">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.845098" y3="3.061508" z3="-0.260695">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-4.484284" y3="3.66623" z3="0.83602">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.360517" y3="3.3654" z3="-1.535319">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-5.573707" y3="4.531018" z3="0.682181">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-5.446936" y3="4.223799" z3="-1.712006">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-6.055735" y3="4.810067" z3="-0.599781">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.8818" y3="2.906331" z3="-2.405416">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-6.043356" y3="4.981283" z3="1.558847">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-5.81665" y3="4.435183" z3="-2.718305">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-6.906607" y3="5.484834" z3="-0.720768">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.063928" y3="3.84441" z3="0.26159">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="3.664316" y3="4.486639" z3="-0.834511">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="3.371916" y3="4.35567" z3="1.534968">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="4.528238" y3="5.575136" z3="-0.680672">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="4.229713" y3="5.441073" z3="1.711207">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="4.811007" y3="6.052809" z3="0.599666">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="2.916266" y3="3.87432" z3="2.405361">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="4.975363" y3="6.047441" z3="-1.557469">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="4.444659" y3="5.808066" z3="2.7177">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="5.485676" y3="6.903702" z3="0.720666">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.323195" y3="-3.876281" z3="-2.601914">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.88055" y3="3.312304" z3="2.608442">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.305672" y3="3.886946" z3="-2.607141">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.893507" y3="-3.305422" z3="2.601575">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000857" y3="-0.002064" z3="0.000024">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.9371,.7686,-.0852;-1.96,-.2244,-.0034;-2.6904,-1.4079,.0802;-1.1496,4.0948,-.0574;.2066,4.2503,.0571;.7714,2.9362,.0862;-.2215,1.9589,.0044;-1.4054,2.6892,-.0781;1.1485,-4.1003,-.0597;-.2075,-4.255,.0565;-.7709,-2.9401,.0867;.2226,-1.9632,.0037;1.4057,-2.6944,-.0805;4.0977,1.1504,.0567;4.254,-.2057,-.0588;2.9397,-.7713,-.0876;1.9618,.221,-.0047;2.692,1.4052,.0783;-4.0958,-1.1521,.0604;-4.2513,.2041,-.0549;-2.6852,2.1387,-.1366;2.6874,-2.1435,-.1397;2.1412,2.6846,.1373;-2.1402,-2.6876,.139;-1.9133,4.8712,-.1118;.7758,5.179,.1032;1.9116,-4.877,-.1154;-.7774,-5.1832,.1027;4.8736,1.9147,.1113;5.1828,-.7745,-.1058;-4.8721,-1.9158,.1159;-5.1799,.7735,-.1005;3.8469,-3.0666,-.2654;4.3552,-3.3757,-1.5373;4.4905,-3.6658,.8289;5.4387,-4.2329,-1.7139;5.5771,-4.5289,.6744;6.0515,-4.8124,-.6046;3.8725,-2.9209,-2.4073;5.804,-4.449,-2.7207;6.0508,-4.9753,1.5507;6.902,-5.4873,-.7265;-3.0627,-3.8471,.2646;-3.3614,-4.3648,1.5361;-3.6714,-4.4834,-.83;-4.218,-5.4496,1.7125;-4.5344,-5.5711,-.6756;-4.8077,-6.0544,.603;-2.899,-3.8885,2.4057;-4.4258,-5.8219,2.7185;-4.988,-6.0388,-1.5515;-5.4821,-6.9054,.7247;-3.8451,3.0615,-.2607;-4.4843,3.6662,.836;-4.3605,3.3654,-1.5353;-5.5737,4.531,.6822;-5.4469,4.2238,-1.712;-6.0557,4.8101,-.5998;-3.8818,2.9063,-2.4054;-6.0434,4.9813,1.5588;-5.8167,4.4352,-2.7183;-6.9066,5.4848,-.7208;3.0639,3.8444,.2616;3.6643,4.4866,-.8345;3.3719,4.3557,1.535;4.5282,5.5751,-.6807;4.2297,5.4411,1.7112;4.811,6.0528,.5997;2.9163,3.8743,2.4054;4.9754,6.0474,-1.5575;4.4447,5.8081,2.7177;5.4857,6.9037,.7207;-3.3232,-3.8763,-2.6019;-3.8805,3.3123,2.6084;3.3057,3.8869,-2.6071;3.8935,-3.3054,2.6016;.0009,-.0021,0;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340909 0.0340671 0.0205591</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.58284" y3="1.606458" z3="-0.082486">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.941961" y3="0.370726" z3="-0.002606">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.992233" y3="-0.549528" z3="0.080123">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="0.112579" y3="4.260668" z3="-0.059788">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="1.455503" y3="4.001594" z3="0.052613">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="1.604303" y3="2.581028" z3="0.082626">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.36795" y3="1.941687" z3="0.002708">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-0.550801" y3="2.992217" z3="-0.079025">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-0.100228" y3="-4.254404" z3="-0.062379">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-1.444485" y3="-4.000606" z3="0.051512">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-1.600897" y3="-2.580991" z3="0.082967">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.36735" y3="-1.938193" z3="0.002151">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="0.555589" y3="-2.984921" z3="-0.081255">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.254498" y3="-0.12275" z3="0.058332">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="3.991271" y3="-1.464525" z3="-0.054983">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.573057" y3="-1.608296" z3="-0.084491">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.936985" y3="-0.371017" z3="-0.003559">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.988136" y3="0.545186" z3="0.078569">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.261372" y3="0.113315" z3="0.061663">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.003301" y3="1.456238" z3="-0.051359">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-1.936709" y3="2.841819" z3="-0.134306">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="1.931472" y3="-2.833516" z3="-0.136637">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.83975" y3="1.932753" z3="0.134304">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.839968" y3="-1.936517" z3="0.135786">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-0.384656" y3="5.229386" z3="-0.113247">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="2.276295" y3="4.718221" z3="0.097366">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="0.401738" y3="-5.221248" z3="-0.117152">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-2.26166" y3="-4.721153" z3="0.096254">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.224751" y3="0.371039" z3="0.111719">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.70528" y3="-2.288264" z3="-0.100739">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.22975" y3="-0.384456" z3="0.116034">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.720656" y3="2.276391" z3="-0.095729">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="2.767392" y3="-4.054579" z3="-0.257581">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="3.171795" y3="-4.508751" z3="-1.527006">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="3.195871" y3="-4.806813" z3="0.853129">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="3.957151" y3="-5.650146" z3="-1.687356">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="3.982317" y3="-5.954797" z3="0.710073">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="4.362602" y3="-6.37597" z3="-0.563312">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="2.851725" y3="-3.939078" z3="-2.40427">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="4.251347" y3="-5.97344" z3="-2.688566">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="4.296665" y3="-6.514874" z3="1.592924">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="4.977283" y3="-7.272717" z3="-0.67186">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.061703" y3="-2.774132" z3="0.256642">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-4.506761" y3="-3.188214" z3="1.521086">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.818125" y3="-3.192459" z3="-0.849286">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-5.644355" y3="-3.973026" z3="1.681217">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-5.962542" y3="-3.978058" z3="-0.706641">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-6.374965" y3="-4.367809" z3="0.562127">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.931787" y3="-2.875517" z3="2.39742">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-5.961488" y3="-4.275636" z3="2.681765">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-6.52752" y3="-4.285329" z3="-1.588736">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-7.270985" y3="-4.983299" z3="0.670994">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-2.771766" y3="4.063126" z3="-0.253627">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-3.190988" y3="4.813604" z3="0.846199">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-3.178122" y3="4.509455" z3="-1.503509">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-3.967989" y3="5.949094" z3="0.705495">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-3.954328" y3="5.63881" z3="-1.657364">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-4.347791" y3="6.359345" z3="-0.546641">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-2.864374" y3="3.938206" z3="-2.381454">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-4.277513" y3="6.512309" z3="1.587517">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-4.254409" y3="5.960697" z3="-2.656708">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-4.961712" y3="7.256072" z3="-0.654053">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.063186" y3="2.766703" z3="0.25394">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.813399" y3="3.189864" z3="-0.850891">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="4.515245" y3="3.170035" z3="1.512317">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="5.955326" y3="3.968859" z3="-0.710055">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="5.650803" y3="3.948063" z3="1.668693">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="6.372694" y3="4.347002" z3="0.552287">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.945267" y3="2.853291" z3="2.390281">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="6.516454" y3="4.280522" z3="-1.592908">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="5.97489" y3="4.243763" z3="2.668879">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="7.27044" y3="4.959811" z3="0.660061">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.283274" y3="-2.695421" z3="-2.614713">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-2.699886" y3="4.274871" z3="2.610225">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.269359" y3="2.70357" z3="-2.615538">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="2.710971" y3="-4.263029" z3="2.620032">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.001768" y3="0.001793" z3="-0.000277">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.5828,1.6065,-.0825;-1.942,.3707,-.0026;-2.9922,-.5495,.0801;.1126,4.2607,-.0598;1.4555,4.0016,.0526;1.6043,2.581,.0826;.3679,1.9417,.0027;-.5508,2.9922,-.079;-.1002,-4.2544,-.0624;-1.4445,-4.0006,.0515;-1.6009,-2.581,.083;-.3674,-1.9382,.0022;.5556,-2.9849,-.0813;4.2545,-.1227,.0583;3.9913,-1.4645,-.055;2.5731,-1.6083,-.0845;1.937,-.371,-.0036;2.9881,.5452,.0786;-4.2614,.1133,.0617;-4.0033,1.4562,-.0514;-1.9367,2.8418,-.1343;1.9315,-2.8335,-.1366;2.8397,1.9328,.1343;-2.84,-1.9365,.1358;-.3847,5.2294,-.1132;2.2763,4.7182,.0974;.4017,-5.2212,-.1172;-2.2617,-4.7212,.0963;5.2248,.371,.1117;4.7053,-2.2883,-.1007;-5.2298,-.3845,.116;-4.7207,2.2764,-.0957;2.7674,-4.0546,-.2576;3.1718,-4.5088,-1.527;3.1959,-4.8068,.8531;3.9572,-5.6501,-1.6874;3.9823,-5.9548,.7101;4.3626,-6.376,-.5633;2.8517,-3.9391,-2.4043;4.2513,-5.9734,-2.6886;4.2967,-6.5149,1.5929;4.9773,-7.2727,-.6719;-4.0617,-2.7741,.2566;-4.5068,-3.1882,1.5211;-4.8181,-3.1925,-.8493;-5.6444,-3.973,1.6812;-5.9625,-3.9781,-.7066;-6.375,-4.3678,.5621;-3.9318,-2.8755,2.3974;-5.9615,-4.2756,2.6818;-6.5275,-4.2853,-1.5887;-7.271,-4.9833,.671;-2.7718,4.0631,-.2536;-3.191,4.8136,.8462;-3.1781,4.5095,-1.5035;-3.968,5.9491,.7055;-3.9543,5.6388,-1.6574;-4.3478,6.3593,-.5466;-2.8644,3.9382,-2.3815;-4.2775,6.5123,1.5875;-4.2544,5.9607,-2.6567;-4.9617,7.2561,-.6541;4.0632,2.7667,.2539;4.8134,3.1899,-.8509;4.5152,3.17,1.5123;5.9553,3.9689,-.7101;5.6508,3.9481,1.6687;6.3727,4.347,.5523;3.9453,2.8533,2.3903;6.5165,4.2805,-1.5929;5.9749,4.2438,2.6689;7.2704,4.9598,.6601;-4.2833,-2.6954,-2.6147;-2.6999,4.2749,2.6102;4.2694,2.7036,-2.6155;2.711,-4.263,2.62;-.0018,.0018,-.0003;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0343007 0.0342563 0.0207171</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.795402" y3="1.184584" z3="-0.081642">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.972284" y3="0.062082" z3="-0.002283">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.867167" y3="-1.005989" z3="0.079971">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.545401" y3="4.220239" z3="-0.059475">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.819239" y3="4.175055" z3="0.052132">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="1.187364" y3="2.794406" z3="0.082118">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.065099" y3="1.971209" z3="0.002696">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.003136" y3="2.865794" z3="-0.07846">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.544858" y3="-4.225457" z3="-0.061621">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.819477" y3="-4.178996" z3="0.051574">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-1.186653" y3="-2.798315" z3="0.082687">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.063844" y3="-1.975647" z3="0.002157">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.003965" y3="-2.870989" z3="-0.080704">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.223738" y3="0.546042" z3="0.058508">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.179199" y3="-0.818408" z3="-0.054065">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.798236" y3="-1.187943" z3="-0.083895">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.974643" y3="-0.06568" z3="-0.003413">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.868896" y3="1.002967" z3="0.078292">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.221513" y3="-0.547806" z3="0.061869">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.176087" y3="0.816634" z3="-0.050427">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.348066" y3="2.504294" z3="-0.133168">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.350557" y3="-2.509337" z3="-0.13621">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.507047" y3="2.347373" z3="0.133439">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.506145" y3="-2.35067" z3="0.135096">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-1.187581" y3="5.099729" z3="-0.112712">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="1.517796" y3="5.011163" z3="0.096475">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="1.186035" y3="-5.105519" z3="-0.116031">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-1.518625" y3="-5.014701" z3="0.096173">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.102898" y3="1.188723" z3="0.111867">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.015667" y3="-1.51637" z3="-0.099219">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.101122" y3="-1.189723" z3="0.116158">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.012141" y3="1.515284" z3="-0.094325">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.365442" y3="-3.589787" z3="-0.256266">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="3.832968" y3="-3.975254" z3="-1.522597">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="3.904979" y3="-4.267642" z3="0.849337">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="4.782687" y3="-4.981115" z3="-1.684957">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="4.856321" y3="-5.279485" z3="0.706434">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="5.294972" y3="-5.635847" z3="-0.566097">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.4284" y3="-3.460579" z3="-2.398943">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="5.121805" y3="-5.254303" z3="-2.686915">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="5.253517" y3="-5.78518" z3="1.588839">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="6.039833" y3="-6.427475" z3="-0.676594">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.586502" y3="-3.365395" z3="0.255197">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-3.962171" y3="-3.842215" z3="1.521917">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.273939" y3="-3.897354" z3="-0.849404">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-4.967836" y3="-4.792869" z3="1.685774">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-5.285836" y3="-4.849298" z3="-0.704854">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-5.632519" y3="-5.296932" z3="0.56819">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.440124" y3="-3.44427" z3="2.39694">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-5.233049" y3="-5.138911" z3="2.68754">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-5.798673" y3="-5.240231" z3="-1.585936">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-6.423839" y3="-6.041976" z3="0.679849">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.363477" y3="3.584744" z3="-0.251729">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-3.898623" y3="4.268263" z3="0.856465">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-3.838683" y3="3.966356" z3="-1.520692">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-4.852517" y3="5.282273" z3="0.71454">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-4.791471" y3="4.974378" z3="-1.683217">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-5.299206" y3="5.635349" z3="-0.561973">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.438448" y3="3.447969" z3="-2.396974">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-5.245153" y3="5.791141" z3="1.597235">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-5.135429" y3="5.243514" z3="-2.684758">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-6.044432" y3="6.426887" z3="-0.671985">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.587247" y3="3.362616" z3="0.252241">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.26688" y3="3.901041" z3="-0.855147">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="3.972077" y3="3.833232" z3="1.519687">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="5.279695" y3="4.853903" z3="-0.713203">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="4.979049" y3="4.784783" z3="1.681563">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="5.63554" y3="5.29577" z3="0.561149">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.456626" y3="3.430131" z3="2.396323">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="5.7860" y3="5.249495" z3="-1.596007">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="5.251245" y3="5.125758" z3="2.683239">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="6.4270" y3="6.040995" z3="0.671078">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.828278" y3="-3.3300" z3="-2.616554">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.333088" y3="3.815063" z3="2.622409">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.809635" y3="3.339845" z3="-2.621247">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.346682" y3="-3.808832" z3="2.615967">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.001093" y3="-0.002152" z3="-0.000222">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7954,1.1846,-.0816;-1.9723,.0621,-.0023;-2.8672,-1.006,.08;-.5454,4.2202,-.0595;.8192,4.1751,.0521;1.1874,2.7944,.0821;.0651,1.9712,.0027;-1.0031,2.8658,-.0785;.5449,-4.2255,-.0616;-.8195,-4.179,.0516;-1.1867,-2.7983,.0827;-.0638,-1.9756,.0022;1.004,-2.871,-.0807;4.2237,.546,.0585;4.1792,-.8184,-.0541;2.7982,-1.1879,-.0839;1.9746,-.0657,-.0034;2.8689,1.003,.0783;-4.2215,-.5478,.0619;-4.1761,.8166,-.0504;-2.3481,2.5043,-.1332;2.3506,-2.5093,-.1362;2.507,2.3474,.1334;-2.5061,-2.3507,.1351;-1.1876,5.0997,-.1127;1.5178,5.0112,.0965;1.186,-5.1055,-.116;-1.5186,-5.0147,.0962;5.1029,1.1887,.1119;5.0157,-1.5164,-.0992;-5.1011,-1.1897,.1162;-5.0121,1.5153,-.0943;3.3654,-3.5898,-.2563;3.833,-3.9753,-1.5226;3.905,-4.2676,.8493;4.7827,-4.9811,-1.685;4.8563,-5.2795,.7064;5.295,-5.6358,-.5661;3.4284,-3.4606,-2.3989;5.1218,-5.2543,-2.6869;5.2535,-5.7852,1.5888;6.0398,-6.4275,-.6766;-3.5865,-3.3654,.2552;-3.9622,-3.8422,1.5219;-4.2739,-3.8974,-.8494;-4.9678,-4.7929,1.6858;-5.2858,-4.8493,-.7049;-5.6325,-5.2969,.5682;-3.4401,-3.4443,2.3969;-5.233,-5.1389,2.6875;-5.7987,-5.2402,-1.5859;-6.4238,-6.042,.6798;-3.3635,3.5847,-.2517;-3.8986,4.2683,.8565;-3.8387,3.9664,-1.5207;-4.8525,5.2823,.7145;-4.7915,4.9744,-1.6832;-5.2992,5.6353,-.562;-3.4384,3.448,-2.397;-5.2452,5.7911,1.5972;-5.1354,5.2435,-2.6848;-6.0444,6.4269,-.672;3.5872,3.3626,.2522;4.2669,3.901,-.8551;3.9721,3.8332,1.5197;5.2797,4.8539,-.7132;4.979,4.7848,1.6816;5.6355,5.2958,.5611;3.4566,3.4301,2.3963;5.786,5.2495,-1.596;5.2512,5.1258,2.6832;6.427,6.041,.6711;-3.8283,-3.33,-2.6166;-3.3331,3.8151,2.6224;3.8096,3.3398,-2.6212;3.3467,-3.8088,2.616;.0011,-.0022,-.0002;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0341781 0.0341479 0.0206496</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.53573" y3="1.681148" z3="-0.080165">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.930991" y3="0.425144" z3="-0.002116">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-3.003152" y3="-0.460664" z3="0.079112">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="0.233014" y3="4.251736" z3="-0.058734">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="1.568995" y3="3.962363" z3="0.051747">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="1.678556" y3="2.534338" z3="0.081545">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.421621" y3="1.9306" z3="0.003064">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-0.462952" y3="3.003862" z3="-0.077013">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-0.224822" y3="-4.245353" z3="-0.062923">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-1.562474" y3="-3.961314" z3="0.049245">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-1.677016" y3="-2.533237" z3="0.080993">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.422685" y3="-1.926408" z3="0.001704">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="0.464487" y3="-2.996204" z3="-0.080441">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.24456" y3="-0.242016" z3="0.057978">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="3.95121" y3="-1.577258" z3="-0.053799">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.525738" y3="-1.680888" z3="-0.083262">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.924719" y3="-0.424115" z3="-0.003603">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.998942" y3="0.457908" z3="0.077231">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.251736" y3="0.234026" z3="0.06222">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-3.963653" y3="1.570549" z3="-0.048793">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-1.854202" y3="2.896709" z3="-0.130971">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="1.847422" y3="-2.888102" z3="-0.13468">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.894037" y3="1.850896" z3="0.132064">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.894279" y3="-1.85314" z3="0.133161">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-0.2401" y3="5.232654" z3="-0.111877">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="2.406907" y3="4.658243" z3="0.095139">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="0.252715" y3="-5.224435" z3="-0.117779">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-2.397467" y3="-4.660296" z3="0.092495">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.226825" y3="0.227864" z3="0.111334">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.644181" y3="-2.41814" z3="-0.098301">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.232186" y3="-0.239982" z3="0.116559">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.66023" y3="2.407911" z3="-0.091447">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="2.647802" y3="-4.136585" z3="-0.253117">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="3.032078" y3="-4.59323" z3="-1.526812">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="3.064725" y3="-4.916707" z3="0.843938">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="3.782966" y3="-5.755582" z3="-1.704837">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="3.816223" y3="-6.084996" z3="0.687474">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="4.175965" y3="-6.504935" z3="-0.594923">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="2.723039" y3="-4.006137" z3="-2.396767">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="4.06014" y3="-6.076253" z3="-2.712016">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="4.119955" y3="-6.662012" z3="1.562796">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="4.76363" y3="-7.417787" z3="-0.718184">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.142381" y3="-2.655664" z3="0.251556">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-4.591858" y3="-3.051916" z3="1.519895">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.924065" y3="-3.060897" z3="-0.842192">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-5.750236" y3="-3.803273" z3="1.695103">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-6.088957" y3="-3.812629" z3="-0.689037">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-6.502305" y3="-4.184262" z3="0.587394">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.001061" y3="-2.751257" z3="2.390202">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-6.066401" y3="-4.090671" z3="2.700719">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-6.669189" y3="-4.108034" z3="-1.565071">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-7.414367" y3="-4.773392" z3="0.708453">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-2.653468" y3="4.144456" z3="-0.24756">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-3.059661" y3="4.919403" z3="0.837919">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-3.04017" y3="4.593671" z3="-1.50167">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-3.80201" y3="6.074223" z3="0.684347">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-3.781416" y3="5.74181" z3="-1.671957">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-4.161953" y3="6.484084" z3="-0.573778">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-2.737685" y3="4.005948" z3="-2.372853">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-4.10065" y3="6.653613" z3="1.559312">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-4.064906" y3="6.061891" z3="-2.676931">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-4.749061" y3="7.396874" z3="-0.69427">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.143883" y3="2.649587" z3="0.249231">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.919598" y3="3.060718" z3="-0.841949">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="4.598658" y3="3.033193" z3="1.513223">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="6.081916" y3="3.806005" z3="-0.68776">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="5.754305" y3="3.777379" z3="1.687166">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="6.499085" y3="4.164381" z3="0.582797">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.011831" y3="2.727122" z3="2.384084">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="6.659278" y3="4.107255" z3="-1.563445">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="6.076014" y3="4.056164" z3="2.693226">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="7.412701" y3="4.750632" z3="0.704179">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.40845" y3="-2.598976" z3="-2.615692">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-2.606918" y3="4.402653" z3="2.612222">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.398493" y3="2.613621" z3="-2.617455">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="2.620211" y3="-4.397665" z3="2.621458">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.002437" y3="0.00219" z3="-0.000207">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.5357,1.6811,-.0802;-1.931,.4251,-.0021;-3.0032,-.4607,.0791;.233,4.2517,-.0587;1.569,3.9624,.0517;1.6786,2.5343,.0815;.4216,1.9306,.0031;-.463,3.0039,-.077;-.2248,-4.2454,-.0629;-1.5625,-3.9613,.0492;-1.677,-2.5332,.081;-.4227,-1.9264,.0017;.4645,-2.9962,-.0804;4.2446,-.242,.058;3.9512,-1.5773,-.0538;2.5257,-1.6809,-.0833;1.9247,-.4241,-.0036;2.9989,.4579,.0772;-4.2517,.234,.0622;-3.9637,1.5705,-.0488;-1.8542,2.8967,-.131;1.8474,-2.8881,-.1347;2.894,1.8509,.1321;-2.8943,-1.8531,.1332;-.2401,5.2327,-.1119;2.4069,4.6582,.0951;.2527,-5.2244,-.1178;-2.3975,-4.6603,.0925;5.2268,.2279,.1113;4.6442,-2.4181,-.0983;-5.2322,-.24,.1166;-4.6602,2.4079,-.0914;2.6478,-4.1366,-.2531;3.0321,-4.5932,-1.5268;3.0647,-4.9167,.8439;3.783,-5.7556,-1.7048;3.8162,-6.085,.6875;4.176,-6.5049,-.5949;2.723,-4.0061,-2.3968;4.0601,-6.0763,-2.712;4.12,-6.662,1.5628;4.7636,-7.4178,-.7182;-4.1424,-2.6557,.2516;-4.5919,-3.0519,1.5199;-4.9241,-3.0609,-.8422;-5.7502,-3.8033,1.6951;-6.089,-3.8126,-.689;-6.5023,-4.1843,.5874;-4.0011,-2.7513,2.3902;-6.0664,-4.0907,2.7007;-6.6692,-4.108,-1.5651;-7.4144,-4.7734,.7085;-2.6535,4.1445,-.2476;-3.0597,4.9194,.8379;-3.0402,4.5937,-1.5017;-3.802,6.0742,.6843;-3.7814,5.7418,-1.672;-4.162,6.4841,-.5738;-2.7377,4.0059,-2.3729;-4.1006,6.6536,1.5593;-4.0649,6.0619,-2.6769;-4.7491,7.3969,-.6943;4.1439,2.6496,.2492;4.9196,3.0607,-.8419;4.5987,3.0332,1.5132;6.0819,3.806,-.6878;5.7543,3.7774,1.6872;6.4991,4.1644,.5828;4.0118,2.7271,2.3841;6.6593,4.1073,-1.5634;6.076,4.0562,2.6932;7.4127,4.7506,.7042;-4.4085,-2.599,-2.6157;-2.6069,4.4027,2.6122;4.3985,2.6136,-2.6175;2.6202,-4.3977,2.6215;-.0024,.0022,-.0002;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340359 0.0340099 0.0205384</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.947818" y3="0.730534" z3="-0.079656">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.957896" y3="-0.249585" z3="-0.001874">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.672332" y3="-1.443446" z3="0.079325">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-1.203199" y3="4.080111" z3="-0.059477">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.151452" y3="4.25341" z3="0.050629">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="0.733239" y3="2.9467" z3="0.080702">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.246749" y3="1.956587" z3="0.002716">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.440958" y3="2.671014" z3="-0.077346">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="1.203226" y3="-4.085148" z3="-0.062273">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.15132" y3="-4.258056" z3="0.049406">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-0.732287" y3="-2.950856" z3="0.080877">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.247978" y3="-1.960944" z3="0.001856">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.441766" y3="-2.67584" z3="-0.08002">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.082849" y3="1.203306" z3="0.058767">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.256711" y3="-0.151318" z3="-0.052408">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.949899" y3="-0.7336" z3="-0.082336">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.959392" y3="0.245909" z3="-0.003247">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.673729" y3="1.440322" z3="0.077445">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.081342" y3="-1.205602" z3="0.062595">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.254624" y3="0.149049" z3="-0.048155">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.713627" y3="2.103729" z3="-0.130733">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.71553" y3="-2.108148" z3="-0.134171">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.106275" y3="2.712729" z3="0.131445">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.105275" y3="-2.7162" z3="0.132983">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-1.976963" y3="4.846566" z3="-0.112559">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="0.708303" y3="5.189722" z3="0.093791">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="1.976478" y3="-4.851916" z3="-0.116661">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-0.708504" y3="-5.194119" z3="0.092723">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.848925" y3="1.977482" z3="0.112043">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.193091" y3="-0.707829" z3="-0.096434">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.847819" y3="-1.979263" z3="0.116834">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.19089" y3="0.706018" z3="-0.090739">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.888061" y3="-3.015813" z3="-0.2523">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.405876" y3="-3.318789" z3="-1.521988">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="4.535063" y3="-3.60592" z3="0.845179">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="5.5017" y3="-4.161226" z3="-1.694341">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="5.633989" y3="-4.454222" z3="0.69452">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="6.117709" y3="-4.731919" z3="-0.582153">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.920769" y3="-2.870865" z3="-2.394249">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="5.873911" y3="-4.37265" z3="-2.699593">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="6.110096" y3="-4.894038" z3="1.572785">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="6.977719" y3="-5.395342" z3="-0.700232">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.012822" y3="-3.888541" z3="0.251223">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-3.305577" y3="-4.415179" z3="1.520454">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-3.612561" y3="-4.528057" z3="-0.846318">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-4.147736" y3="-5.511855" z3="1.692368">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-4.461032" y3="-5.627622" z3="-0.695993">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-4.728672" y3="-6.119906" z3="0.580141">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-2.849985" y3="-3.936437" z3="2.392288">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-4.351069" y3="-5.890812" z3="2.696777">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-4.908291" y3="-6.097599" z3="-1.573849">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-5.391932" y3="-6.98011" z3="0.69786">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.886416" y3="3.011493" z3="-0.247466">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-4.528945" y3="3.607082" z3="0.852814">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.411179" y3="3.309806" z3="-1.519852">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-5.630815" y3="4.457555" z3="0.703299">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-5.510023" y3="4.153999" z3="-1.691827">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-6.122077" y3="4.731296" z3="-0.576323">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.930069" y3="2.857779" z3="-2.392326">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-6.102685" y3="4.901091" z3="1.582095">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-5.886617" y3="4.361163" z3="-2.696441">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-6.982317" y3="5.394816" z3="-0.693163">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.013819" y3="3.88539" z3="0.248431">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="3.605208" y3="4.530872" z3="-0.85071">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="3.315859" y3="4.405869" z3="1.519224">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="4.454421" y3="5.631299" z3="-0.700842">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="4.159029" y3="5.50314" z3="1.690913">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="4.731432" y3="6.117901" z3="0.576724">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="2.867071" y3="3.922174" z3="2.391873">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="4.895021" y3="6.105915" z3="-1.579577">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="4.369504" y3="5.877018" z3="2.695786">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="5.394824" y3="6.978123" z3="0.693836">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.275024" y3="-3.910947" z3="-2.617382">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.914808" y3="3.262919" z3="2.624183">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.256987" y3="3.921468" z3="-2.622668">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.928711" y3="-3.25664" z3="2.617526">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000763" y3="-0.002106" z3="-0.000143">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.9478,.7305,-.0797;-1.9579,-.2496,-.0019;-2.6723,-1.4434,.0793;-1.2032,4.0801,-.0595;.1515,4.2534,.0506;.7332,2.9467,.0807;-.2467,1.9566,.0027;-1.441,2.671,-.0773;1.2032,-4.0851,-.0623;-.1513,-4.2581,.0494;-.7323,-2.9509,.0809;.248,-1.9609,.0019;1.4418,-2.6758,-.08;4.0828,1.2033,.0588;4.2567,-.1513,-.0524;2.9499,-.7336,-.0823;1.9594,.2459,-.0032;2.6737,1.4403,.0774;-4.0813,-1.2056,.0626;-4.2546,.149,-.0482;-2.7136,2.1037,-.1307;2.7155,-2.1081,-.1342;2.1063,2.7127,.1314;-2.1053,-2.7162,.133;-1.977,4.8466,-.1126;.7083,5.1897,.0938;1.9765,-4.8519,-.1167;-.7085,-5.1941,.0927;4.8489,1.9775,.112;5.1931,-.7078,-.0964;-4.8478,-1.9793,.1168;-5.1909,.706,-.0907;3.8881,-3.0158,-.2523;4.4059,-3.3188,-1.522;4.5351,-3.6059,.8452;5.5017,-4.1612,-1.6943;5.634,-4.4542,.6945;6.1177,-4.7319,-.5822;3.9208,-2.8709,-2.3942;5.8739,-4.3727,-2.6996;6.1101,-4.894,1.5728;6.9777,-5.3953,-.7002;-3.0128,-3.8885,.2512;-3.3056,-4.4152,1.5205;-3.6126,-4.5281,-.8463;-4.1477,-5.5119,1.6924;-4.461,-5.6276,-.696;-4.7287,-6.1199,.5801;-2.85,-3.9364,2.3923;-4.3511,-5.8908,2.6968;-4.9083,-6.0976,-1.5738;-5.3919,-6.9801,.6979;-3.8864,3.0115,-.2475;-4.5289,3.6071,.8528;-4.4112,3.3098,-1.5199;-5.6308,4.4576,.7033;-5.51,4.154,-1.6918;-6.1221,4.7313,-.5763;-3.9301,2.8578,-2.3923;-6.1027,4.9011,1.5821;-5.8866,4.3612,-2.6964;-6.9823,5.3948,-.6932;3.0138,3.8854,.2484;3.6052,4.5309,-.8507;3.3159,4.4059,1.5192;4.4544,5.6313,-.7008;4.159,5.5031,1.6909;4.7314,6.1179,.5767;2.8671,3.9222,2.3919;4.895,6.1059,-1.5796;4.3695,5.877,2.6958;5.3948,6.9781,.6938;-3.275,-3.9109,-2.6174;-3.9148,3.2629,2.6242;3.257,3.9215,-2.6227;3.9287,-3.2566,2.6175;.0008,-.0021,-.0001;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340530 0.0340238 0.0205640</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.144643" y3="2.155266" z3="-0.076774">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.804339" y3="0.80518" z3="-0.000796">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-3.036601" y3="0.151688" z3="0.079649">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.086591" y3="4.119621" z3="-0.06158">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="2.333932" y3="3.561102" z3="0.046449">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.153814" y3="2.144249" z3="0.077526">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.803359" y3="1.805244" z3="0.001395">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="0.151202" y3="3.037528" z3="-0.07794">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-1.079217" y3="-4.11591" z3="-0.06432">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-2.327855" y3="-3.559921" z3="0.045256">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.151708" y3="-2.143026" z3="0.077769">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.802576" y3="-1.801858" z3="0.000705">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-0.147903" y3="-3.032566" z3="-0.080363">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.113931" y3="-1.091975" z3="0.060502">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="3.552912" y3="-2.337744" z3="-0.048504">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.138226" y3="-2.154643" z3="-0.079209">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.801489" y3="-0.804014" z3="-0.001989">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="3.033952" y3="-0.153746" z3="0.077808">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.119398" y3="1.086449" z3="0.06428">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-3.561728" y3="2.334114" z3="-0.044383">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-1.231946" y3="3.209578" z3="-0.128464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="1.229262" y3="-3.203231" z3="-0.131336">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.207792" y3="1.230006" z3="0.128932">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.207437" y3="-1.231734" z3="0.130477">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="0.823909" y3="5.176469" z3="-0.113949">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="3.296978" y3="4.070966" z3="0.088342">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-0.813803" y3="-5.172431" z3="-0.118014">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-3.289621" y3="-4.072256" z3="0.087227">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.171273" y3="-0.83192" z3="0.112884">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.060624" y3="-3.302281" z3="-0.091373">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.17603" y3="0.823119" z3="0.117715">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.072367" y3="3.296744" z3="-0.085762">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="1.760754" y3="-4.585095" z3="-0.246203">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="2.054336" y3="-5.126381" z3="-1.511213">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="1.998448" y3="-5.409704" z3="0.8677">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="2.555119" y3="-6.418895" z3="-1.662817">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="2.498698" y3="-6.709082" z3="0.735405">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="2.776957" y3="-7.213247" z3="-0.534085">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="1.878462" y3="-4.502185" z3="-2.392155">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="2.770936" y3="-6.806273" z3="-2.661257">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="2.670812" y3="-7.321844" z3="1.622792">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="3.168089" y3="-8.228389" z3="-0.6357">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.589092" y3="-1.765926" z3="0.245287">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.12367" y3="-2.07182" z3="1.506459">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.416267" y3="-1.993806" z3="-0.864741">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.412685" y3="-2.574624" z3="1.658309">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-6.711986" y3="-2.495585" z3="-0.732148">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.209641" y3="-2.785869" z3="0.533972">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.496037" y3="-1.90372" z3="2.386361">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-6.795644" y3="-2.800483" z3="2.656141">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.327998" y3="-2.660201" z3="-1.618531">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.223876" y3="-3.178999" z3="0.636155">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-1.763687" y3="4.590383" z3="-0.241696">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-1.993797" y3="5.411132" z3="0.860549">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-2.061185" y3="5.123608" z3="-1.487666">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-2.488542" y3="6.694236" z3="0.729411">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-2.556565" y3="6.40025" z3="-1.633651">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-2.768968" y3="7.186576" z3="-0.519356">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-1.891015" y3="4.499228" z3="-2.368963">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-2.656057" y3="7.309311" z3="1.615585">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-2.778532" y3="6.786814" z3="-2.630458">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-3.160389" y3="8.201034" z3="-0.620554">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.590453" y3="1.760446" z3="0.242546">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.412354" y3="1.994581" z3="-0.866317">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.129443" y3="2.054383" z3="1.498971">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="6.704833" y3="2.490959" z3="-0.735596">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.415343" y3="2.55141" z3="1.647807">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.205392" y3="2.769109" z3="0.525598">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.505537" y3="1.880958" z3="2.380333">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.317923" y3="2.660927" z3="-1.62297">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="6.803154" y3="2.768807" z3="2.64548">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.220663" y3="3.159365" z3="0.626764">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.768722" y3="-1.622482" z3="-2.62225">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-1.630138" y3="4.762533" z3="2.617107">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.757931" y3="1.636198" z3="-2.623013">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="1.641759" y3="-4.754152" z3="2.62583">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.00065" y3="0.001888" z3="-0.000142">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.1446,2.1553,-.0768;-1.8043,.8052,-.0008;-3.0366,.1517,.0796;1.0866,4.1196,-.0616;2.3339,3.5611,.0464;2.1538,2.1442,.0775;.8034,1.8052,.0014;.1512,3.0375,-.0779;-1.0792,-4.1159,-.0643;-2.3279,-3.5599,.0453;-2.1517,-2.143,.0778;-.8026,-1.8019,.0007;-.1479,-3.0326,-.0804;4.1139,-1.092,.0605;3.5529,-2.3377,-.0485;2.1382,-2.1546,-.0792;1.8015,-.804,-.002;3.034,-.1537,.0778;-4.1194,1.0864,.0643;-3.5617,2.3341,-.0444;-1.2319,3.2096,-.1285;1.2293,-3.2032,-.1313;3.2078,1.23,.1289;-3.2074,-1.2317,.1305;.8239,5.1765,-.1139;3.297,4.071,.0883;-.8138,-5.1724,-.118;-3.2896,-4.0723,.0872;5.1713,-.8319,.1129;4.0606,-3.3023,-.0914;-5.176,.8231,.1177;-4.0724,3.2967,-.0858;1.7608,-4.5851,-.2462;2.0543,-5.1264,-1.5112;1.9984,-5.4097,.8677;2.5551,-6.4189,-1.6628;2.4987,-6.7091,.7354;2.777,-7.2132,-.5341;1.8785,-4.5022,-2.3922;2.7709,-6.8063,-2.6613;2.6708,-7.3218,1.6228;3.1681,-8.2284,-.6357;-4.5891,-1.7659,.2453;-5.1237,-2.0718,1.5065;-5.4163,-1.9938,-.8647;-6.4127,-2.5746,1.6583;-6.712,-2.4956,-.7321;-7.2096,-2.7859,.534;-4.496,-1.9037,2.3864;-6.7956,-2.8005,2.6561;-7.328,-2.6602,-1.6185;-8.2239,-3.179,.6362;-1.7637,4.5904,-.2417;-1.9938,5.4111,.8605;-2.0612,5.1236,-1.4877;-2.4885,6.6942,.7294;-2.5566,6.4002,-1.6337;-2.769,7.1866,-.5194;-1.891,4.4992,-2.369;-2.6561,7.3093,1.6156;-2.7785,6.7868,-2.6305;-3.1604,8.201,-.6206;4.5905,1.7604,.2425;5.4124,1.9946,-.8663;5.1294,2.0544,1.499;6.7048,2.491,-.7356;6.4153,2.5514,1.6478;7.2054,2.7691,.5256;4.5055,1.881,2.3803;7.3179,2.6609,-1.623;6.8032,2.7688,2.6455;8.2207,3.1594,.6268;-4.7687,-1.6225,-2.6223;-1.6301,4.7625,2.6171;4.7579,1.6362,-2.623;1.6418,-4.7542,2.6258;-.0006,.0019,-.0001;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0343619 0.0343266 0.0207756</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.937975" y3="0.767366" z3="-0.076321">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.960449" y3="-0.224527" z3="-0.000815">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.69099" y3="-1.41072" z3="0.079047">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-1.151648" y3="4.096192" z3="-0.061107">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.205769" y3="4.249851" z3="0.046051">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="0.770149" y3="2.937074" z3="0.077026">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.22153" y3="1.959516" z3="0.001445">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.407884" y3="2.689756" z3="-0.077356">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="1.152497" y3="-4.101065" z3="-0.063304">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.204816" y3="-4.254043" z3="0.045347">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-0.76871" y3="-2.941094" z3="0.077514">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.223313" y3="-1.963755" z3="0.000899">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.409449" y3="-2.694454" z3="-0.07953">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.09945" y3="1.151697" z3="0.060179">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.253447" y3="-0.20552" z3="-0.047898">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.940608" y3="-0.770762" z3="-0.078644">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.962819" y3="0.220901" z3="-0.002004">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.692828" y3="1.407482" z3="0.077243">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.097407" y3="-1.154081" z3="0.06371">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.250822" y3="0.2032" z3="-0.044096">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.686489" y3="2.137621" z3="-0.127401">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.689056" y3="-2.142011" z3="-0.130348">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.140443" y3="2.685785" z3="0.127782">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.139098" y3="-2.689359" z3="0.129459">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-1.915008" y3="4.872963" z3="-0.11317">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="0.775915" y3="5.178416" z3="0.087499">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="1.915372" y3="-4.878178" z3="-0.116523">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-0.775265" y3="-5.182457" z3="0.086989">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.876047" y3="1.915247" z3="0.112296">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.182186" y3="-0.775234" z3="-0.090183">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.874295" y3="-1.917218" z3="0.116823">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.179346" y3="0.773464" z3="-0.085081">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.849283" y3="-3.065107" z3="-0.2437">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.374735" y3="-3.381836" z3="-1.506536">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="4.474451" y3="-3.65667" z3="0.866835">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="5.460221" y3="-4.240939" z3="-1.660473">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="5.562429" y3="-4.521481" z3="0.732445">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="6.054968" y3="-4.813134" z3="-0.536976">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.905533" y3="-2.932314" z3="-2.386528">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="5.841022" y3="-4.464429" z3="-2.659776">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="6.023066" y3="-4.963358" z3="1.618379">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="6.906547" y3="-5.489619" z3="-0.641362">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.061827" y3="-3.849732" z3="0.242749">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-3.368104" y3="-4.383395" z3="1.505266">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-3.662925" y3="-4.468164" z3="-0.867152">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-4.226657" y3="-5.469958" z3="1.659664">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-4.527445" y3="-5.556837" z3="-0.732339">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-4.808923" y3="-6.057505" z3="0.536942">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-2.910977" y3="-3.919926" z3="2.384385">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-4.441842" y3="-5.856988" z3="2.658422">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-4.976637" y3="-6.011891" z3="-1.617464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-5.484961" y3="-6.909424" z3="0.641638">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.84746" y3="3.060529" z3="-0.239434">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-4.469189" y3="3.658076" z3="0.873612">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.379887" y3="3.372361" z3="-1.504836">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-5.560338" y3="4.52463" z3="0.740311">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-5.469104" y3="4.233158" z3="-1.658931">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-6.060454" y3="4.81199" z3="-0.532891">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.914282" y3="2.918709" z3="-2.384757">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-6.016988" y3="4.970143" z3="1.62658">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-5.854107" y3="4.452009" z3="-2.657788">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-6.91251" y3="5.488185" z3="-0.636675">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.063196" y3="3.846462" z3="0.23996">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="3.656415" y3="4.470667" z3="-0.871998">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="3.378711" y3="4.374668" z3="1.503441">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="4.521646" y3="5.56007" z3="-0.738569">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="4.238323" y3="5.461882" z3="1.656816">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="4.812208" y3="6.055507" z3="0.532042">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="2.928282" y3="3.906751" z3="2.38371">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="4.9643" y3="6.019287" z3="-1.624878">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="4.460574" y3="5.84438" z3="2.655807">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="5.488397" y3="6.907465" z3="0.635817">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.298214" y3="-3.8280" z3="-2.627603">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.83136" y3="3.287076" z3="2.633716">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.280739" y3="3.836768" z3="-2.632328">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.843028" y3="-3.278898" z3="2.627654">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.001168" y3="-0.002038" z3="-0.000107">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.938,.7674,-.0763;-1.9604,-.2245,-.0008;-2.691,-1.4107,.079;-1.1516,4.0962,-.0611;.2058,4.2499,.0461;.7701,2.9371,.077;-.2215,1.9595,.0014;-1.4079,2.6898,-.0774;1.1525,-4.1011,-.0633;-.2048,-4.254,.0453;-.7687,-2.9411,.0775;.2233,-1.9638,.0009;1.4094,-2.6945,-.0795;4.0995,1.1517,.0602;4.2534,-.2055,-.0479;2.9406,-.7708,-.0786;1.9628,.2209,-.002;2.6928,1.4075,.0772;-4.0974,-1.1541,.0637;-4.2508,.2032,-.0441;-2.6865,2.1376,-.1274;2.6891,-2.142,-.1303;2.1404,2.6858,.1278;-2.1391,-2.6894,.1295;-1.915,4.873,-.1132;.7759,5.1784,.0875;1.9154,-4.8782,-.1165;-.7753,-5.1825,.087;4.876,1.9152,.1123;5.1822,-.7752,-.0902;-4.8743,-1.9172,.1168;-5.1793,.7735,-.0851;3.8493,-3.0651,-.2437;4.3747,-3.3818,-1.5065;4.4745,-3.6567,.8668;5.4602,-4.2409,-1.6605;5.5624,-4.5215,.7324;6.055,-4.8131,-.537;3.9055,-2.9323,-2.3865;5.841,-4.4644,-2.6598;6.0231,-4.9634,1.6184;6.9065,-5.4896,-.6414;-3.0618,-3.8497,.2427;-3.3681,-4.3834,1.5053;-3.6629,-4.4682,-.8672;-4.2267,-5.47,1.6597;-4.5274,-5.5568,-.7323;-4.8089,-6.0575,.5369;-2.911,-3.9199,2.3844;-4.4418,-5.857,2.6584;-4.9766,-6.0119,-1.6175;-5.485,-6.9094,.6416;-3.8475,3.0605,-.2394;-4.4692,3.6581,.8736;-4.3799,3.3724,-1.5048;-5.5603,4.5246,.7403;-5.4691,4.2332,-1.6589;-6.0605,4.812,-.5329;-3.9143,2.9187,-2.3848;-6.017,4.9701,1.6266;-5.8541,4.452,-2.6578;-6.9125,5.4882,-.6367;3.0632,3.8465,.24;3.6564,4.4707,-.872;3.3787,4.3747,1.5034;4.5216,5.5601,-.7386;4.2383,5.4619,1.6568;4.8122,6.0555,.532;2.9283,3.9068,2.3837;4.9643,6.0193,-1.6249;4.4606,5.8444,2.6558;5.4884,6.9075,.6358;-3.2982,-3.828,-2.6276;-3.8314,3.2871,2.6337;3.2807,3.8368,-2.6323;3.843,-3.2789,2.6277;.0012,-.002,-.0001;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0342100 0.0341821 0.0206957</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.158809" y3="2.142853" z3="-0.073419">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.810785" y3="0.793382" z3="0.000955">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-3.036313" y3="0.134009" z3="0.080733">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.060004" y3="4.124886" z3="-0.062956">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="2.312155" y3="3.579014" z3="0.043293">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.140858" y3="2.158064" z3="0.075274">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.790672" y3="1.811173" z3="0.00073">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="0.132705" y3="3.03752" z3="-0.077704">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-1.055688" y3="-4.120251" z3="-0.066118">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-2.309141" y3="-3.577029" z3="0.042116">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.140438" y3="-2.155986" z3="0.075687">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.791592" y3="-1.807112" z3="-0.000068">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-0.131824" y3="-3.031753" z3="-0.08061">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.118602" y3="-1.063937" z3="0.061942">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="3.570522" y3="-2.315125" z3="-0.045611">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.151738" y3="-2.140667" z3="-0.076998">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.806377" y3="-0.791017" z3="-0.000999">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="3.033012" y3="-0.134728" z3="0.077936">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.124606" y3="1.059895" z3="0.06719">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-3.579988" y3="2.312848" z3="-0.039853">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-1.253564" y3="3.203322" z3="-0.125884">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="1.249381" y3="-3.196325" z3="-0.129801">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.200589" y3="1.25178" z3="0.127093">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.201065" y3="-1.252212" z3="0.129248">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="0.788524" y3="5.179554" z3="-0.115051">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="3.27039" y3="4.096999" z3="0.083706">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-0.781867" y3="-5.174452" z3="-0.119794">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-3.266156" y3="-4.096989" z3="0.082772">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.17374" y3="-0.794509" z3="0.114039">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.086461" y3="-3.274752" z3="-0.087324">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.178995" y3="0.787249" z3="0.120581">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.09893" y3="3.270524" z3="-0.079697">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="1.792328" y3="-4.577609" z3="-0.2434">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="2.085668" y3="-5.101335" z3="-1.514534">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="2.0436" y3="-5.421151" z3="0.85456">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="2.596353" y3="-6.388191" z3="-1.689272">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="2.552898" y3="-6.713536" z3="0.702085">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="2.829882" y3="-7.197772" z3="-0.577802">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="1.90107" y3="-4.466027" z3="-2.385818">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="2.810417" y3="-6.758112" z3="-2.694962">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="2.733629" y3="-7.337535" z3="1.578876">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="3.228537" y3="-8.208084" z3="-0.697532">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.582266" y3="-1.796505" z3="0.242315">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.10143" y3="-2.103016" z3="1.509486">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.42718" y3="-2.036168" z3="-0.853653">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.385225" y3="-2.614775" z3="1.68197">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-6.717168" y3="-2.546346" z3="-0.702971">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.196506" y3="-2.836135" z3="0.572441">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.463769" y3="-1.92759" z3="2.380883">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-6.752237" y3="-2.839547" z3="2.686273">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.343659" y3="-2.718241" z3="-1.57977">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.206358" y3="-3.236087" z3="0.690833">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-1.795349" y3="4.583125" z3="-0.237315">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-2.036657" y3="5.419742" z3="0.849588">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-2.093156" y3="5.100151" z3="-1.488908">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-2.539534" y3="6.696148" z3="0.699808">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-2.596872" y3="6.369873" z3="-1.655514">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-2.819176" y3="7.169882" z3="-0.556321">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-1.915573" y3="4.465648" z3="-2.361557">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-2.71449" y3="7.321785" z3="1.576056">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-2.817735" y3="6.74025" z3="-2.658902">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-3.217502" y3="8.179885" z3="-0.673571">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.582425" y3="1.792996" z3="0.238966">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.421414" y3="2.039498" z3="-0.855119">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.105315" y3="2.087214" z3="1.502552">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="6.708437" y3="2.544991" z3="-0.705162">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.385986" y3="2.593766" z3="1.673218">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.190813" y3="2.82242" z3="0.565605">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.471016" y3="1.90569" z3="2.374955">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.332099" y3="2.72298" z3="-1.582568">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="6.757288" y3="2.80972" z3="2.677725">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.201552" y3="3.219889" z3="0.683295">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.832008" y3="-1.676328" z3="-2.626041">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-1.684276" y3="4.823009" z3="2.621432">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.820465" y3="1.693652" z3="-2.62797">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="1.701051" y3="-4.822982" z3="2.629486">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.001524" y3="0.002262" z3="0.000207">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.1588,2.1429,-.0734;-1.8108,.7934,.001;-3.0363,.134,.0807;1.06,4.1249,-.063;2.3122,3.579,.0433;2.1409,2.1581,.0753;.7907,1.8112,.0007;.1327,3.0375,-.0777;-1.0557,-4.1203,-.0661;-2.3091,-3.577,.0421;-2.1404,-2.156,.0757;-.7916,-1.8071,-.0001;-.1318,-3.0318,-.0806;4.1186,-1.0639,.0619;3.5705,-2.3151,-.0456;2.1517,-2.1407,-.077;1.8064,-.791,-.001;3.033,-.1347,.0779;-4.1246,1.0599,.0672;-3.58,2.3128,-.0399;-1.2536,3.2033,-.1259;1.2494,-3.1963,-.1298;3.2006,1.2518,.1271;-3.2011,-1.2522,.1292;.7885,5.1796,-.1151;3.2704,4.097,.0837;-.7819,-5.1745,-.1198;-3.2662,-4.097,.0828;5.1737,-.7945,.114;4.0865,-3.2748,-.0873;-5.179,.7872,.1206;-4.0989,3.2705,-.0797;1.7923,-4.5776,-.2434;2.0857,-5.1013,-1.5145;2.0436,-5.4212,.8546;2.5964,-6.3882,-1.6893;2.5529,-6.7135,.7021;2.8299,-7.1978,-.5778;1.9011,-4.466,-2.3858;2.8104,-6.7581,-2.695;2.7336,-7.3375,1.5789;3.2285,-8.2081,-.6975;-4.5823,-1.7965,.2423;-5.1014,-2.103,1.5095;-5.4272,-2.0362,-.8537;-6.3852,-2.6148,1.682;-6.7172,-2.5463,-.703;-7.1965,-2.8361,.5724;-4.4638,-1.9276,2.3809;-6.7522,-2.8395,2.6863;-7.3437,-2.7182,-1.5798;-8.2064,-3.2361,.6908;-1.7953,4.5831,-.2373;-2.0367,5.4197,.8496;-2.0932,5.1002,-1.4889;-2.5395,6.6961,.6998;-2.5969,6.3699,-1.6555;-2.8192,7.1699,-.5563;-1.9156,4.4656,-2.3616;-2.7145,7.3218,1.5761;-2.8177,6.7402,-2.6589;-3.2175,8.1799,-.6736;4.5824,1.793,.239;5.4214,2.0395,-.8551;5.1053,2.0872,1.5026;6.7084,2.545,-.7052;6.386,2.5938,1.6732;7.1908,2.8224,.5656;4.471,1.9057,2.375;7.3321,2.723,-1.5826;6.7573,2.8097,2.6777;8.2016,3.2199,.6833;-4.832,-1.6763,-2.626;-1.6843,4.823,2.6214;4.8205,1.6937,-2.628;1.7011,-4.823,2.6295;-.0015,.0023,.0002;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340218 0.0339851 0.0205442</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.966438" y3="0.651659" z3="-0.073795">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.950788" y3="-0.301956" z3="0.000353">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.633398" y3="-1.514868" z3="0.079735">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-1.31213" y3="4.046701" z3="-0.062762">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.038035" y3="4.255576" z3="0.043052">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="0.654188" y3="2.965037" z3="0.074792">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.299286" y3="1.949238" z3="0.000649">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.512497" y3="2.63181" z3="-0.077562">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="1.312629" y3="-4.051559" z3="-0.064786">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.03744" y3="-4.260255" z3="0.042713">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-0.653184" y3="-2.969407" z3="0.075616">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.300409" y3="-1.953695" z3="0.000266">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.513395" y3="-2.636525" z3="-0.079673">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.049474" y3="1.311305" z3="0.061484">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.258566" y3="-0.03883" z3="-0.045345">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.967938" y3="-0.655165" z3="-0.076616">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.951981" y3="0.298035" z3="-0.001233">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.63456" y3="1.511326" z3="0.077324">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.048283" y3="-1.314321" z3="0.065839">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.25708" y3="0.035819" z3="-0.04074">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.769436" y3="2.030563" z3="-0.125668">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.770894" y3="-2.03492" z3="-0.128879">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.033123" y3="2.768221" z3="0.126116">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.032225" y3="-2.772056" z3="0.1283">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-2.106213" y3="4.792187" z3="-0.114646">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="0.570243" y3="5.206237" z3="0.083299">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="2.1064" y3="-4.797232" z3="-0.117884">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-0.56974" y3="-5.210813" z3="0.08328">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.794852" y3="2.105506" z3="0.113326">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.209221" y3="-0.570858" z3="-0.086617">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.793799" y3="-2.108278" z3="0.11885">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.207706" y3="0.568137" z3="-0.080579">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.967627" y3="-2.911205" z3="-0.241459">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.499058" y3="-3.200841" z3="-1.50868">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="4.62423" y3="-3.4838" z3="0.859513">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="5.617245" y3="-4.014819" z3="-1.675536">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="5.745329" y3="-4.303855" z3="0.714365">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="6.242201" y3="-4.569417" z3="-0.559937">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.006715" y3="-2.765767" z3="-2.383374">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="5.999769" y3="-4.216855" z3="-2.678835">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="6.228412" y3="-4.731429" z3="1.594927">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="7.119506" y3="-5.210652" z3="-0.67348">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-2.908759" y3="-3.968488" z3="0.240497">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-3.188128" y3="-4.508685" z3="1.506836">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-3.491161" y3="-4.617243" z3="-0.860504">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-4.001893" y3="-5.627521" z3="1.672838">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-4.311426" y3="-5.73877" z3="-0.71611">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-4.566804" y3="-6.244298" z3="0.557246">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-2.745186" y3="-4.022832" z3="2.381224">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-4.195789" y3="-6.016837" z3="2.675138">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-4.746703" y3="-6.215512" z3="-1.596381">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-5.207999" y3="-7.121732" z3="0.670116">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.9663" y3="2.907224" z3="-0.236687">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-4.617783" y3="3.485853" z3="0.867406">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.505267" y3="3.191881" z3="-1.506235">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-5.741957" y3="4.308171" z3="0.724103">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-5.626677" y3="4.007747" z3="-1.672041">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-6.247097" y3="4.569318" z3="-0.552768">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.01745" y3="2.752356" z3="-2.381356">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-6.220204" y3="4.739862" z3="1.605406">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-6.014123" y3="4.205302" z3="-2.674457">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-7.124643" y3="5.21071" z3="-0.664619">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="2.909478" y3="3.965021" z3="0.237266">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="3.483559" y3="4.619464" z3="-0.865318">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="3.197966" y3="4.499465" z3="1.504897">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="4.304338" y3="5.741709" z3="-0.721465">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="4.012493" y3="5.618755" z3="1.670512">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="4.568867" y3="6.241765" z3="0.553062">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="2.761843" y3="4.008997" z3="2.380156">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="4.732927" y3="6.222872" z3="-1.60263">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="4.213473" y3="6.003368" z3="2.673255">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="5.210134" y3="7.119248" z3="0.665352">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.168886" y3="-3.982824" z3="-2.628301">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.985027" y3="3.156968" z3="2.635132">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.150217" y3="3.99216" z3="-2.633788">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.00097" y3="-3.149055" z3="2.628772">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000627" y3="-0.002166" z3="0.000041">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.9664,.6517,-.0738;-1.9508,-.302,.0004;-2.6334,-1.5149,.0797;-1.3121,4.0467,-.0628;.038,4.2556,.0431;.6542,2.965,.0748;-.2993,1.9492,.0006;-1.5125,2.6318,-.0776;1.3126,-4.0516,-.0648;-.0374,-4.2603,.0427;-.6532,-2.9694,.0756;.3004,-1.9537,.0003;1.5134,-2.6365,-.0797;4.0495,1.3113,.0615;4.2586,-.0388,-.0453;2.9679,-.6552,-.0766;1.952,.298,-.0012;2.6346,1.5113,.0773;-4.0483,-1.3143,.0658;-4.2571,.0358,-.0407;-2.7694,2.0306,-.1257;2.7709,-2.0349,-.1289;2.0331,2.7682,.1261;-2.0322,-2.7721,.1283;-2.1062,4.7922,-.1146;.5702,5.2062,.0833;2.1064,-4.7972,-.1179;-.5697,-5.2108,.0833;4.7949,2.1055,.1133;5.2092,-.5709,-.0866;-4.7938,-2.1083,.1188;-5.2077,.5681,-.0806;3.9676,-2.9112,-.2415;4.4991,-3.2008,-1.5087;4.6242,-3.4838,.8595;5.6172,-4.0148,-1.6755;5.7453,-4.3039,.7144;6.2422,-4.5694,-.5599;4.0067,-2.7658,-2.3834;5.9998,-4.2169,-2.6788;6.2284,-4.7314,1.5949;7.1195,-5.2107,-.6735;-2.9088,-3.9685,.2405;-3.1881,-4.5087,1.5068;-3.4912,-4.6172,-.8605;-4.0019,-5.6275,1.6728;-4.3114,-5.7388,-.7161;-4.5668,-6.2443,.5572;-2.7452,-4.0228,2.3812;-4.1958,-6.0168,2.6751;-4.7467,-6.2155,-1.5964;-5.208,-7.1217,.6701;-3.9663,2.9072,-.2367;-4.6178,3.4859,.8674;-4.5053,3.1919,-1.5062;-5.742,4.3082,.7241;-5.6267,4.0077,-1.672;-6.2471,4.5693,-.5528;-4.0175,2.7524,-2.3814;-6.2202,4.7399,1.6054;-6.0141,4.2053,-2.6745;-7.1246,5.2107,-.6646;2.9095,3.965,.2373;3.4836,4.6195,-.8653;3.198,4.4995,1.5049;4.3043,5.7417,-.7215;4.0125,5.6188,1.6705;4.5689,6.2418,.5531;2.7618,4.009,2.3802;4.7329,6.2229,-1.6026;4.2135,6.0034,2.6733;5.2101,7.1192,.6654;-3.1689,-3.9828,-2.6283;-3.985,3.157,2.6351;3.1502,3.9922,-2.6338;4.001,-3.1491,2.6288;.0006,-.0022,0;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340600 0.0340285 0.0205910</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.224974" y3="2.072909" z3="-0.070342">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.833962" y3="0.735983" z3="0.001812">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-3.040154" y3="0.03744" z3="0.080538">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="0.93215" y3="4.156141" z3="-0.063962">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="2.199174" y3="3.646388" z3="0.039875">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.07234" y3="2.223069" z3="0.072346">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.734902" y3="1.833312" z3="0.000145">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="0.03764" y3="3.03979" z3="-0.077147">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-0.930105" y3="-4.154221" z3="-0.066533">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-2.197639" y3="-3.64573" z3="0.039281">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.072662" y3="-2.222731" z3="0.073199">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.736095" y3="-1.831887" z3="-0.000337">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-0.03761" y3="-3.037414" z3="-0.079687">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.15266" y3="-0.935658" z3="0.062732">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="3.641614" y3="-2.20187" z3="-0.042321">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.219335" y3="-2.073639" z3="-0.074144">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.830776" y3="-0.736132" z3="-0.00039">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="3.0374" y3="-0.039787" z3="0.077274">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.15717" y3="0.930734" z3="0.068412">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-3.648554" y3="2.198221" z3="-0.036276">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-1.351848" y3="3.16095" z3="-0.122668">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="1.348359" y3="-3.158037" z3="-0.126565">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.159635" y3="1.349302" z3="0.123837">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.160414" y3="-1.351064" z3="0.126473">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="0.630211" y3="5.202307" z3="-0.115333">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="3.142385" y3="4.192538" z3="0.078769">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-0.626879" y3="-5.200208" z3="-0.119372">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-3.14023" y3="-4.193071" z3="0.078548">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.199186" y3="-0.634996" z3="0.114005">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.1868" y3="-3.145823" z3="-0.082515">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.20307" y3="0.627858" z3="0.121072">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.195636" y3="3.140838" z3="-0.074685">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="1.932756" y3="-4.519666" z3="-0.237575">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="2.249378" y3="-5.048528" z3="-1.501966">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="2.199926" y3="-5.337378" z3="0.875735">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="2.798571" y3="-6.320157" z3="-1.654247">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="2.748637" y3="-6.616079" z3="0.741736">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="3.047777" y3="-7.106988" z3="-0.527432">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="2.051972" y3="-4.430437" z3="-2.382681">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="3.030787" y3="-6.697486" z3="-2.652839">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="2.942005" y3="-7.223484" z3="1.628286">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="3.476973" y3="-8.106448" z3="-0.630087">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.521714" y3="-1.936922" z3="0.236618">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.044764" y3="-2.267254" z3="1.497462">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.342658" y3="-2.191954" z3="-0.874738">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.314146" y3="-2.817872" z3="1.648408">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-6.619026" y3="-2.741576" z3="-0.742085">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.104219" y3="-3.054429" z3="0.523941">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.423273" y3="-2.07939" z3="2.377796">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-6.687485" y3="-3.061224" z3="2.645781">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.229725" y3="-2.92542" z3="-1.628296">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.103142" y3="-3.48492" z3="0.625875">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-1.936048" y3="4.521242" z3="-0.231463">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-2.193776" y3="5.335552" z3="0.870339">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-2.257678" y3="5.041756" z3="-1.477059">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-2.736271" y3="6.598015" z3="0.737571">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-2.800669" y3="6.297285" z3="-1.623654">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-3.038742" y3="7.076753" z3="-0.511364">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-2.067141" y3="4.422955" z3="-2.358148">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-2.923837" y3="7.20837" z3="1.622883">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-3.040085" y3="6.673162" z3="-2.62049">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-3.468186" y3="8.075522" z3="-0.613601">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.52167" y3="1.932935" z3="0.233097">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.337472" y3="2.196233" z3="-0.876795">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.048932" y3="2.251097" z3="1.491103">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="6.611312" y3="2.742121" z3="-0.744486">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.315999" y3="2.797644" z3="1.640944">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.099761" y3="3.042557" z3="0.518698">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.430945" y3="2.056384" z3="2.372291">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.219021" y3="2.932963" z3="-1.631232">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="6.693567" y3="3.032072" z3="2.638746">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.099329" y3="3.471245" z3="0.62063">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.715415" y3="-1.791953" z3="-2.633116">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-1.802329" y3="4.70966" z3="2.628852">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.704492" y3="1.811291" z3="-2.635743">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="1.818275" y3="-4.703221" z3="2.636119">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.001137" y3="0.000789" z3="0.000363">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.225,2.0729,-.0703;-1.834,.736,.0018;-3.0402,.0374,.0805;.9322,4.1561,-.064;2.1992,3.6464,.0399;2.0723,2.2231,.0723;.7349,1.8333,.0001;.0376,3.0398,-.0771;-.9301,-4.1542,-.0665;-2.1976,-3.6457,.0393;-2.0727,-2.2227,.0732;-.7361,-1.8319,-.0003;-.0376,-3.0374,-.0797;4.1527,-.9357,.0627;3.6416,-2.2019,-.0423;2.2193,-2.0736,-.0741;1.8308,-.7361,-.0004;3.0374,-.0398,.0773;-4.1572,.9307,.0684;-3.6486,2.1982,-.0363;-1.3518,3.161,-.1227;1.3484,-3.158,-.1266;3.1596,1.3493,.1238;-3.1604,-1.3511,.1265;.6302,5.2023,-.1153;3.1424,4.1925,.0788;-.6269,-5.2002,-.1194;-3.1402,-4.1931,.0785;5.1992,-.635,.114;4.1868,-3.1458,-.0825;-5.2031,.6279,.1211;-4.1956,3.1408,-.0747;1.9328,-4.5197,-.2376;2.2494,-5.0485,-1.502;2.1999,-5.3374,.8757;2.7986,-6.3202,-1.6542;2.7486,-6.6161,.7417;3.0478,-7.107,-.5274;2.052,-4.4304,-2.3827;3.0308,-6.6975,-2.6528;2.942,-7.2235,1.6283;3.477,-8.1064,-.6301;-4.5217,-1.9369,.2366;-5.0448,-2.2673,1.4975;-5.3427,-2.192,-.8747;-6.3141,-2.8179,1.6484;-6.619,-2.7416,-.7421;-7.1042,-3.0544,.5239;-4.4233,-2.0794,2.3778;-6.6875,-3.0612,2.6458;-7.2297,-2.9254,-1.6283;-8.1031,-3.4849,.6259;-1.936,4.5212,-.2315;-2.1938,5.3356,.8703;-2.2577,5.0418,-1.4771;-2.7363,6.598,.7376;-2.8007,6.2973,-1.6237;-3.0387,7.0768,-.5114;-2.0671,4.423,-2.3581;-2.9238,7.2084,1.6229;-3.0401,6.6732,-2.6205;-3.4682,8.0755,-.6136;4.5217,1.9329,.2331;5.3375,2.1962,-.8768;5.0489,2.2511,1.4911;6.6113,2.7421,-.7445;6.316,2.7976,1.6409;7.0998,3.0426,.5187;4.4309,2.0564,2.3723;7.219,2.933,-1.6312;6.6936,3.0321,2.6387;8.0993,3.4712,.6206;-4.7154,-1.792,-2.6331;-1.8023,4.7097,2.6289;4.7045,1.8113,-2.6357;1.8183,-4.7032,2.6361;-.0011,.0008,.0004;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0342741 0.0342334 0.0207376</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.995772" y3="0.500467" z3="-0.07064">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.93287" y3="-0.400087" z3="0.001337">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.553538" y3="-1.647103" z3="0.079694">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-1.515099" y3="3.9756" z3="-0.064108">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-0.176688" y3="4.251301" z3="0.039325">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="0.503657" y3="2.994452" z3="0.071755">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.396698" y3="1.931535" z3="-0.000093">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.643875" y3="2.551938" z3="-0.077152">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="1.516598" y3="-3.981188" z3="-0.065725">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="0.178273" y3="-4.256461" z3="0.039467">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-0.501775" y3="-2.999457" z3="0.072988">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.398783" y3="-1.936675" z3="-0.000234">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.645789" y3="-2.557381" z3="-0.079038">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.979363" y3="1.514165" z3="0.062323">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.255115" y3="0.175915" z3="-0.042099">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.998217" y3="-0.50486" z3="-0.073869">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.935246" y3="0.395522" z3="-0.000628">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.555595" y3="1.642776" z3="0.076637">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.977246" y3="-1.517892" z3="0.067448">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.252693" y3="-0.179579" z3="-0.036854">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.868195" y3="1.887769" z3="-0.122528">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.870633" y3="-1.892816" z3="-0.125818">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="1.891176" y3="2.867002" z3="0.122849">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-1.889418" y3="-2.871655" z3="0.12562">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-2.345167" y3="4.680709" z3="-0.115396">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="0.307674" y3="5.227462" z3="0.077915">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="2.346354" y3="-4.686535" z3="-0.118175">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-0.306243" y3="-5.232544" z3="0.078518">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.684404" y3="2.344311" z3="0.113422">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.231334" y3="-0.308187" z3="-0.081838">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.68253" y3="-2.347694" z3="0.119896">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.228804" y3="0.304957" z3="-0.075123">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="4.109695" y3="-2.707618" z3="-0.235933">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.663427" y3="-2.97389" z3="-1.498611">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="4.784616" y3="-3.242791" z3="0.874054">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="5.821914" y3="-3.731884" z3="-1.653019">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="5.945891" y3="-4.006527" z3="0.739341">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="6.464304" y3="-4.250796" z3="-0.529917">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.156815" y3="-2.566613" z3="-2.378444">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="6.222215" y3="-3.91828" z3="-2.652331">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="6.442964" y3="-4.406939" z3="1.62521">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="7.373154" y3="-4.848123" z3="-0.634362">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-2.704139" y3="-4.110776" z3="0.235069">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-2.95873" y3="-4.673169" z3="1.496645">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-3.250297" y3="-4.778081" z3="-0.874663">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-3.716154" y3="-5.832552" z3="1.650364">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-4.01379" y3="-5.939888" z3="-0.740645">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-4.246402" y3="-6.467017" z3="0.527693">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-2.542742" y3="-4.172831" z3="2.375999">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-3.893274" y3="-6.23958" z3="2.64866">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-4.422834" y3="-6.430677" z3="-1.626061">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-4.843409" y3="-7.376147" z3="0.631633">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-4.107905" y3="2.702606" z3="-0.231037">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-4.778829" y3="3.245347" z3="0.88137">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.668927" y3="2.96226" z3="-1.496036">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-5.943483" y3="4.010682" z3="0.747901">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-5.831391" y3="3.721743" z3="-1.650534">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-6.470093" y3="4.24879" z3="-0.524808">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.166239" y3="2.549565" z3="-2.375738">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-6.436052" y3="4.416166" z3="1.634067">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-6.236173" y3="3.902254" z3="-2.64926">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-7.379366" y3="4.845852" z3="-0.62849">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="2.70581" y3="4.106406" z3="0.231443">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="3.243069" y3="4.779686" z3="-0.879723">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="2.970192" y3="4.663057" z3="1.494204">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="4.0070" y3="5.942026" z3="-0.746205">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="3.728403" y3="5.822879" z3="1.647756">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="4.249428" y3="6.463553" z3="0.523557">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="2.561513" y3="4.15809" z3="2.374375">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="4.40875" y3="6.437298" z3="-1.63249">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="3.913129" y3="6.225159" z3="2.646626">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="4.846521" y3="7.372694" z3="0.627185">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-2.950532" y3="-4.105603" z3="-2.634982">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-4.109574" y3="2.93983" z3="2.642102">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="2.93082" y3="4.114905" z3="-2.640737">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.123089" y3="-2.927431" z3="2.635805">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.001205" y3="-0.00247" z3="0.000141">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.9958,.5005,-.0706;-1.9329,-.4001,.0013;-2.5535,-1.6471,.0797;-1.5151,3.9756,-.0641;-.1767,4.2513,.0393;.5037,2.9945,.0718;-.3967,1.9315,-.0001;-1.6439,2.5519,-.0772;1.5166,-3.9812,-.0657;.1783,-4.2565,.0395;-.5018,-2.9995,.073;.3988,-1.9367,-.0002;1.6458,-2.5574,-.079;3.9794,1.5142,.0623;4.2551,.1759,-.0421;2.9982,-.5049,-.0739;1.9352,.3955,-.0006;2.5556,1.6428,.0766;-3.9772,-1.5179,.0674;-4.2527,-.1796,-.0369;-2.8682,1.8878,-.1225;2.8706,-1.8928,-.1258;1.8912,2.867,.1228;-1.8894,-2.8717,.1256;-2.3452,4.6807,-.1154;.3077,5.2275,.0779;2.3464,-4.6865,-.1182;-.3062,-5.2325,.0785;4.6844,2.3443,.1134;5.2313,-.3082,-.0818;-4.6825,-2.3477,.1199;-5.2288,.305,-.0751;4.1097,-2.7076,-.2359;4.6634,-2.9739,-1.4986;4.7846,-3.2428,.8741;5.8219,-3.7319,-1.653;5.9459,-4.0065,.7393;6.4643,-4.2508,-.5299;4.1568,-2.5666,-2.3784;6.2222,-3.9183,-2.6523;6.443,-4.4069,1.6252;7.3732,-4.8481,-.6344;-2.7041,-4.1108,.2351;-2.9587,-4.6732,1.4966;-3.2503,-4.7781,-.8747;-3.7162,-5.8326,1.6504;-4.0138,-5.9399,-.7406;-4.2464,-6.467,.5277;-2.5427,-4.1728,2.376;-3.8933,-6.2396,2.6487;-4.4228,-6.4307,-1.6261;-4.8434,-7.3761,.6316;-4.1079,2.7026,-.231;-4.7788,3.2453,.8814;-4.6689,2.9623,-1.496;-5.9435,4.0107,.7479;-5.8314,3.7217,-1.6505;-6.4701,4.2488,-.5248;-4.1662,2.5496,-2.3757;-6.4361,4.4162,1.6341;-6.2362,3.9023,-2.6493;-7.3794,4.8459,-.6285;2.7058,4.1064,.2314;3.2431,4.7797,-.8797;2.9702,4.6631,1.4942;4.007,5.942,-.7462;3.7284,5.8229,1.6478;4.2494,6.4636,.5236;2.5615,4.1581,2.3744;4.4088,6.4373,-1.6325;3.9131,6.2252,2.6466;4.8465,7.3727,.6272;-2.9505,-4.1056,-2.635;-4.1096,2.9398,2.6421;2.9308,4.1149,-2.6407;4.1231,-2.9274,2.6358;.0012,-.0025,.0001;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0341656 0.0341310 0.0206793</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.188318" y3="2.112239" z3="-0.067726">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.821641" y3="0.768126" z3="0.002477">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-3.038229" y3="0.091488" z3="0.080113">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.004915" y3="4.13796" z3="-0.063295">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="2.263167" y3="3.608593" z3="0.038299">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.111087" y3="2.186006" z3="0.070794">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.766171" y3="1.820581" z3="0.000614">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="0.090916" y3="3.037953" z3="-0.075315">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-1.004379" y3="-4.135321" z3="-0.066033">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-2.263346" y3="-3.607462" z3="0.037924">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.112567" y3="-2.184883" z3="0.072017">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.76859" y3="-1.818324" z3="0.000161">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-0.09227" y3="-3.034711" z3="-0.078225">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.13354" y3="-1.007368" z3="0.061732">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="3.603092" y3="-2.265163" z3="-0.04135">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.181653" y3="-2.11162" z3="-0.072829">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.816901" y3="-0.767112" z3="-0.00065">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="3.034411" y3="-0.09258" z3="0.075611">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.139257" y3="1.003544" z3="0.069299">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-3.611466" y3="2.26262" z3="-0.033338">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-1.297641" y3="3.18476" z3="-0.119341">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="1.292976" y3="-3.181069" z3="-0.124281">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.182406" y3="1.295225" z3="0.121118">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.184114" y3="-1.295764" z3="0.124582">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="0.720956" y3="5.189249" z3="-0.114357">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="3.214567" y3="4.139394" z3="0.075427">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-0.719192" y3="-5.186373" z3="-0.11876">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-3.214055" y3="-4.139353" z3="0.075619">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.185109" y3="-0.724387" z3="0.112549">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.13295" y3="-3.217194" z3="-0.080195">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.190216" y3="0.718114" z3="0.121877">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.143457" y3="3.213238" z3="-0.069971">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="1.854453" y3="-4.554752" z3="-0.233872">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="2.158194" y3="-5.081345" z3="-1.500701">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="2.112712" y3="-5.386918" z3="0.869741">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="2.685445" y3="-6.361747" z3="-1.66548">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="2.638632" y3="-6.673147" z3="0.727579">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="2.925454" y3="-7.161467" z3="-0.547859">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="1.96835" y3="-4.453686" z3="-2.376408">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="2.907467" y3="-6.735059" z3="-2.668045">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="2.824456" y3="-7.289114" z3="1.609378">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="3.337163" y3="-8.167314" z3="-0.659916">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.557567" y3="-1.857666" z3="0.232625">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.079834" y3="-2.17653" z3="1.495896">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.392084" y3="-2.101586" z3="-0.870329">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.358402" y3="-2.70453" z3="1.65776">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-6.676982" y3="-2.627947" z3="-0.730684">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.160792" y3="-2.9299" z3="0.540867">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.449422" y3="-1.997863" z3="2.371935">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-6.728772" y3="-2.938769" z3="2.658583">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.295843" y3="-2.802617" z3="-1.612724">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.166501" y3="-3.342347" z3="0.650887">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-1.857725" y3="4.556654" z3="-0.226222">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-2.103858" y3="5.382535" z3="0.866934">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-2.167864" y3="5.076592" z3="-1.473702">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-2.622992" y3="6.652638" z3="0.727704">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-2.687676" y3="6.33949" z3="-1.629741">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-2.914344" y3="7.129976" z3="-0.524418">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-1.986675" y3="4.44956" z3="-2.351005">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-2.801365" y3="7.270741" z3="1.609024">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-2.918039" y3="6.713026" z3="-2.629678">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-3.325674" y3="8.135547" z3="-0.633744">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.556345" y3="1.855382" z3="0.228452">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.385105" y3="2.108586" z3="-0.873231">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.082953" y3="2.161506" z3="1.489707">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="6.667827" y3="2.631871" z3="-0.733834">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.35916" y3="2.685876" z3="1.650429">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.155246" y3="2.920749" z3="0.534866">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.456303" y3="1.975161" z3="2.366702">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.283395" y3="2.814435" z3="-1.616484">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="6.73382" y3="2.91061" z3="2.651699">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.161479" y3="3.331656" z3="0.644601">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.784744" y3="-1.72268" z3="-2.635245">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-1.732738" y3="4.773378" z3="2.631142">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.770948" y3="1.745984" z3="-2.638799">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="1.755239" y3="-4.775402" z3="2.637536">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.001896" y3="0.001271" z3="0.000737">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.1883,2.1122,-.0677;-1.8216,.7681,.0025;-3.0382,.0915,.0801;1.0049,4.138,-.0633;2.2632,3.6086,.0383;2.1111,2.186,.0708;.7662,1.8206,.0006;.0909,3.038,-.0753;-1.0044,-4.1353,-.066;-2.2633,-3.6075,.0379;-2.1126,-2.1849,.072;-.7686,-1.8183,.0002;-.0923,-3.0347,-.0782;4.1335,-1.0074,.0617;3.6031,-2.2652,-.0413;2.1817,-2.1116,-.0728;1.8169,-.7671,-.0006;3.0344,-.0926,.0756;-4.1393,1.0035,.0693;-3.6115,2.2626,-.0333;-1.2976,3.1848,-.1193;1.293,-3.1811,-.1243;3.1824,1.2952,.1211;-3.1841,-1.2958,.1246;.721,5.1892,-.1144;3.2146,4.1394,.0754;-.7192,-5.1864,-.1188;-3.2141,-4.1394,.0756;5.1851,-.7244,.1125;4.133,-3.2172,-.0802;-5.1902,.7181,.1219;-4.1435,3.2132,-.07;1.8545,-4.5548,-.2339;2.1582,-5.0813,-1.5007;2.1127,-5.3869,.8697;2.6854,-6.3617,-1.6655;2.6386,-6.6731,.7276;2.9255,-7.1615,-.5479;1.9684,-4.4537,-2.3764;2.9075,-6.7351,-2.668;2.8245,-7.2891,1.6094;3.3372,-8.1673,-.6599;-4.5576,-1.8577,.2326;-5.0798,-2.1765,1.4959;-5.3921,-2.1016,-.8703;-6.3584,-2.7045,1.6578;-6.677,-2.6279,-.7307;-7.1608,-2.9299,.5409;-4.4494,-1.9979,2.3719;-6.7288,-2.9388,2.6586;-7.2958,-2.8026,-1.6127;-8.1665,-3.3423,.6509;-1.8577,4.5567,-.2262;-2.1039,5.3825,.8669;-2.1679,5.0766,-1.4737;-2.623,6.6526,.7277;-2.6877,6.3395,-1.6297;-2.9143,7.13,-.5244;-1.9867,4.4496,-2.351;-2.8014,7.2707,1.609;-2.918,6.713,-2.6297;-3.3257,8.1355,-.6337;4.5563,1.8554,.2285;5.3851,2.1086,-.8732;5.083,2.1615,1.4897;6.6678,2.6319,-.7338;6.3592,2.6859,1.6504;7.1552,2.9207,.5349;4.4563,1.9752,2.3667;7.2834,2.8144,-1.6165;6.7338,2.9106,2.6517;8.1615,3.3317,.6446;-4.7847,-1.7227,-2.6352;-1.7327,4.7734,2.6311;4.7709,1.746,-2.6388;1.7552,-4.7754,2.6375;-.0019,.0013,.0007;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0341063 0.0340593 0.0206198</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.005568" y3="0.439942" z3="-0.068442">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.924895" y3="-0.439514" z3="0.001751">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.519778" y3="-1.698287" z3="0.079107">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-1.595385" y3="3.943416" z3="-0.0638">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-0.262975" y3="4.247242" z3="0.037605">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="0.442994" y3="3.00369" z3="0.070074">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.436314" y3="1.92289" z3="0.000198">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.695383" y3="2.517662" z3="-0.075698">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="1.596348" y3="-3.949214" z3="-0.064986">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="0.264079" y3="-4.252916" z3="0.038388">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-0.441609" y3="-3.009098" z3="0.071902">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.437732" y3="-1.928369" z3="0.00036">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.696597" y3="-2.52334" z3="-0.077436">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.946902" y3="1.593687" z3="0.061418">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.250704" y3="0.261324" z3="-0.041071">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="3.007067" y3="-0.444661" z3="-0.072459">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.926248" y3="0.434489" z3="-0.000869">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.521113" y3="1.693565" z3="0.075046">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.945589" y3="-1.598014" z3="0.067943">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.249266" y3="-0.265642" z3="-0.034514">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.906584" y3="1.829299" z3="-0.119694">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.908148" y3="-1.834698" z3="-0.12339">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="1.832601" y3="2.904858" z3="0.120167">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-1.831321" y3="-2.909818" z3="0.123754">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-2.439724" y3="4.631523" z3="-0.114849">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="0.200619" y3="5.233323" z3="0.07455">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="2.440458" y3="-4.637478" z3="-0.117229">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-0.199549" y3="-5.238928" z3="0.07599">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.635021" y3="2.438038" z3="0.112044">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.236728" y3="-0.202197" z3="-0.0795">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.633795" y3="-2.442154" z3="0.120242">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.235291" y3="0.198136" z3="-0.071249">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="4.163738" y3="-2.624644" z3="-0.232158">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.719232" y3="-2.878332" z3="-1.496773">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="4.854256" y3="-3.147993" z3="0.873078">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="5.892291" y3="-3.612564" z3="-1.65713">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="6.030484" y3="-3.888089" z3="0.734075">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="6.549623" y3="-4.120468" z3="-0.53778">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.201521" y3="-2.480142" z3="-2.374384">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="6.292328" y3="-3.789109" z3="-2.658379">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="6.538561" y3="-4.279341" z3="1.617557">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="7.469934" y3="-4.699171" z3="-0.646597">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-2.621621" y3="-4.165146" z3="0.231214">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-2.863353" y3="-4.73047" z3="1.494127">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-3.156653" y3="-4.846381" z3="-0.874491">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-3.597385" y3="-5.904159" z3="1.652463">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-3.896975" y3="-6.02298" z3="-0.737387">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-4.117326" y3="-6.552055" z3="0.532746">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-2.455856" y3="-4.22014" z3="2.371795">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-3.764466" y3="-6.311953" z3="2.652216">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-4.297572" y3="-6.523647" z3="-1.620925">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-4.696094" y3="-7.472518" z3="0.639991">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-4.162351" y3="2.619665" z3="-0.226566">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-4.846881" y3="3.15106" z3="0.881984">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.72636" y3="2.866474" z3="-1.493167">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-6.026504" y3="3.893328" z3="0.745197">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-5.903061" y3="3.602536" z3="-1.65208">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-6.55503" y3="4.119195" z3="-0.52896">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.213849" y3="2.462351" z3="-2.371242">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-6.528934" y3="4.290349" z3="1.629449">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-6.308763" y3="3.773145" z3="-2.652202">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-7.475606" y3="4.698069" z3="-0.635793">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="2.622689" y3="4.160514" z3="0.227003">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="3.148092" y3="4.848052" z3="-0.879881">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="2.874604" y3="4.719639" z3="1.491332">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="3.888706" y3="6.025177" z3="-0.742768">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="3.609203" y3="5.893592" z3="1.649796">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="4.119325" y3="6.548096" z3="0.528685">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="2.474886" y3="4.204379" z3="2.369714">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="4.281516" y3="6.530751" z3="-1.627031">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="3.784254" y3="6.296317" z3="2.650252">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="4.698097" y3="7.468585" z3="0.635844">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-2.877417" y3="-4.178389" z3="-2.637477">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-4.181165" y3="2.865149" z3="2.645282">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="2.855221" y3="4.188606" z3="-2.643913">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.200112" y3="-2.852604" z3="2.638374">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000727" y3="-0.002676" z3="0.000443">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.0056,.4399,-.0684;-1.9249,-.4395,.0018;-2.5198,-1.6983,.0791;-1.5954,3.9434,-.0638;-.263,4.2472,.0376;.443,3.0037,.0701;-.4363,1.9229,.0002;-1.6954,2.5177,-.0757;1.5963,-3.9492,-.065;.2641,-4.2529,.0384;-.4416,-3.0091,.0719;.4377,-1.9284,.0004;1.6966,-2.5233,-.0774;3.9469,1.5937,.0614;4.2507,.2613,-.0411;3.0071,-.4447,-.0725;1.9262,.4345,-.0009;2.5211,1.6936,.075;-3.9456,-1.598,.0679;-4.2493,-.2656,-.0345;-2.9066,1.8293,-.1197;2.9081,-1.8347,-.1234;1.8326,2.9049,.1202;-1.8313,-2.9098,.1238;-2.4397,4.6315,-.1148;.2006,5.2333,.0746;2.4405,-4.6375,-.1172;-.1995,-5.2389,.076;4.635,2.438,.112;5.2367,-.2022,-.0795;-4.6338,-2.4422,.1202;-5.2353,.1981,-.0712;4.1637,-2.6246,-.2322;4.7192,-2.8783,-1.4968;4.8543,-3.148,.8731;5.8923,-3.6126,-1.6571;6.0305,-3.8881,.7341;6.5496,-4.1205,-.5378;4.2015,-2.4801,-2.3744;6.2923,-3.7891,-2.6584;6.5386,-4.2793,1.6176;7.4699,-4.6992,-.6466;-2.6216,-4.1651,.2312;-2.8634,-4.7305,1.4941;-3.1567,-4.8464,-.8745;-3.5974,-5.9042,1.6525;-3.897,-6.023,-.7374;-4.1173,-6.5521,.5327;-2.4559,-4.2201,2.3718;-3.7645,-6.312,2.6522;-4.2976,-6.5236,-1.6209;-4.6961,-7.4725,.64;-4.1624,2.6197,-.2266;-4.8469,3.1511,.882;-4.7264,2.8665,-1.4932;-6.0265,3.8933,.7452;-5.9031,3.6025,-1.6521;-6.555,4.1192,-.529;-4.2138,2.4624,-2.3712;-6.5289,4.2903,1.6294;-6.3088,3.7731,-2.6522;-7.4756,4.6981,-.6358;2.6227,4.1605,.227;3.1481,4.8481,-.8799;2.8746,4.7196,1.4913;3.8887,6.0252,-.7428;3.6092,5.8936,1.6498;4.1193,6.5481,.5287;2.4749,4.2044,2.3697;4.2815,6.5308,-1.627;3.7843,6.2963,2.6503;4.6981,7.4686,.6358;-2.8774,-4.1784,-2.6375;-4.1812,2.8651,2.6453;2.8552,4.1886,-2.6439;4.2001,-2.8526,2.6384;.0007,-.0027,.0004;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340875 0.0340476 0.0206279</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.146037" y3="2.15419" z3="-0.066131">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.805807" y3="0.803869" z3="0.002689">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-3.037125" y3="0.151336" z3="0.079535">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.088642" y3="4.117319" z3="-0.063087">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="2.335177" y3="3.560003" z3="0.036971">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.153726" y3="2.143092" z3="0.069363">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.802792" y3="1.804225" z3="0.00091">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="0.151649" y3="3.035872" z3="-0.074235">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-1.089142" y3="-4.116011" z3="-0.064383">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-2.33603" y3="-3.559409" z3="0.037961">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.155652" y3="-2.142751" z3="0.071564">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.805358" y3="-1.803193" z3="0.001216">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-0.153456" y3="-3.034245" z3="-0.076155">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.114282" y3="-1.090715" z3="0.061086">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="3.55647" y3="-2.336909" z3="-0.040261">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.140021" y3="-2.155064" z3="-0.071236">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.801684" y3="-0.804225" z3="-0.000671">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="3.03334" y3="-0.153427" z3="0.074423">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.119408" y3="1.086622" z3="0.069235">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-3.563505" y3="2.333739" z3="-0.031994">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-1.233741" y3="3.209218" z3="-0.117382">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="1.229366" y3="-3.207335" z3="-0.121788">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.207398" y3="1.23085" z3="0.119062">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.20955" y3="-1.232276" z3="0.123317">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="0.826882" y3="5.174231" z3="-0.1140">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="3.29855" y3="4.069789" z3="0.072945">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-0.826682" y3="-5.172862" z3="-0.116696">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-3.299028" y3="-4.069916" z3="0.07472">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.171386" y3="-0.829414" z3="0.111422">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.065924" y3="-3.300514" z3="-0.078087">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.176078" y3="0.823584" z3="0.121562">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.074496" y3="3.296327" z3="-0.067724">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="1.765068" y3="-4.589609" z3="-0.230713">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="2.060995" y3="-5.128329" z3="-1.495234">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="2.004924" y3="-5.417436" z3="0.880271">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="2.564158" y3="-6.418246" z3="-1.650083">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="2.507325" y3="-6.713833" z3="0.744516">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="2.786754" y3="-7.214392" z3="-0.525413">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="1.884579" y3="-4.502694" z3="-2.375045">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="2.781274" y3="-6.802373" z3="-2.649531">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="2.68044" y3="-7.328048" z3="1.630329">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="3.179914" y3="-8.228377" z3="-0.629863">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.591458" y3="-1.769453" z3="0.229986">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.126003" y3="-2.081834" z3="1.490822">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.421952" y3="-1.994721" z3="-0.880893">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.414457" y3="-2.586793" z3="1.64254">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-6.716855" y3="-2.498406" z3="-0.748173">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.213196" y3="-2.794354" z3="0.518512">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.497841" y3="-1.916926" z3="2.371016">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-6.795701" y3="-2.817068" z3="2.640107">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.333665" y3="-2.659945" z3="-1.634332">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.22684" y3="-3.188854" z3="0.620837">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-1.769296" y3="4.589877" z3="-0.223507">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-1.997317" y3="5.413486" z3="0.876346">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-2.072834" y3="5.120375" z3="-1.468745">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-2.493894" y3="6.692748" z3="0.742977">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-2.570125" y3="6.392976" z3="-1.616846">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-2.779523" y3="7.181262" z3="-0.506164">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-1.905095" y3="4.494298" z3="-2.349277">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-2.659185" y3="7.309692" z3="1.627922">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-2.796334" y3="6.775885" z3="-2.614127">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-3.173031" y3="8.194593" z3="-0.609384">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.589929" y3="1.76602" z3="0.22548">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.416018" y3="2.001131" z3="-0.883928">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.128033" y3="2.065256" z3="1.485006">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="6.709093" y3="2.501784" z3="-0.750736">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.414862" y3="2.566875" z3="1.636887">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.208514" y3="2.78448" z3="0.514594">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.502784" y3="1.892334" z3="2.365646">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.323178" y3="2.67143" z3="-1.637214">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="6.799543" y3="2.78726" z3="2.635281">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.222638" y3="3.17736" z3="0.6175">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.785504" y3="-1.617809" z3="-2.640137">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-1.628992" y3="4.779443" z3="2.635813">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.774593" y3="1.641423" z3="-2.644318">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="1.650921" y3="-4.775812" z3="2.642551">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.001655" y3="0.000542" z3="0.001153">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.146,2.1542,-.0661;-1.8058,.8039,.0027;-3.0371,.1513,.0795;1.0886,4.1173,-.0631;2.3352,3.56,.037;2.1537,2.1431,.0694;.8028,1.8042,.0009;.1516,3.0359,-.0742;-1.0891,-4.116,-.0644;-2.336,-3.5594,.038;-2.1557,-2.1428,.0716;-.8054,-1.8032,.0012;-.1535,-3.0342,-.0762;4.1143,-1.0907,.0611;3.5565,-2.3369,-.0403;2.14,-2.1551,-.0712;1.8017,-.8042,-.0007;3.0333,-.1534,.0744;-4.1194,1.0866,.0692;-3.5635,2.3337,-.032;-1.2337,3.2092,-.1174;1.2294,-3.2073,-.1218;3.2074,1.2308,.1191;-3.2096,-1.2323,.1233;.8269,5.1742,-.114;3.2986,4.0698,.0729;-.8267,-5.1729,-.1167;-3.299,-4.0699,.0747;5.1714,-.8294,.1114;4.0659,-3.3005,-.0781;-5.1761,.8236,.1216;-4.0745,3.2963,-.0677;1.7651,-4.5896,-.2307;2.061,-5.1283,-1.4952;2.0049,-5.4174,.8803;2.5642,-6.4182,-1.6501;2.5073,-6.7138,.7445;2.7868,-7.2144,-.5254;1.8846,-4.5027,-2.375;2.7813,-6.8024,-2.6495;2.6804,-7.328,1.6303;3.1799,-8.2284,-.6299;-4.5915,-1.7695,.23;-5.126,-2.0818,1.4908;-5.422,-1.9947,-.8809;-6.4145,-2.5868,1.6425;-6.7169,-2.4984,-.7482;-7.2132,-2.7944,.5185;-4.4978,-1.9169,2.371;-6.7957,-2.8171,2.6401;-7.3337,-2.6599,-1.6343;-8.2268,-3.1889,.6208;-1.7693,4.5899,-.2235;-1.9973,5.4135,.8763;-2.0728,5.1204,-1.4687;-2.4939,6.6927,.743;-2.5701,6.393,-1.6168;-2.7795,7.1813,-.5062;-1.9051,4.4943,-2.3493;-2.6592,7.3097,1.6279;-2.7963,6.7759,-2.6141;-3.173,8.1946,-.6094;4.5899,1.766,.2255;5.416,2.0011,-.8839;5.128,2.0653,1.485;6.7091,2.5018,-.7507;6.4149,2.5669,1.6369;7.2085,2.7845,.5146;4.5028,1.8923,2.3656;7.3232,2.6714,-1.6372;6.7995,2.7873,2.6353;8.2226,3.1774,.6175;-4.7855,-1.6178,-2.6401;-1.629,4.7794,2.6358;4.7746,1.6414,-2.6443;1.6509,-4.7758,2.6426;-.0017,.0005,.0012;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0342172 0.0341712 0.0207117</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.024946" y3="0.274644" z3="-0.066541">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.897894" y3="-0.544234" z3="0.002062">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.423715" y3="-1.834138" z3="0.078447">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-1.808478" y3="3.850801" z3="-0.063588">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-0.494102" y3="4.225976" z3="0.035867">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="0.278136" y3="3.023046" z3="0.068351">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.540552" y3="1.895939" z3="0.000375">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.830641" y3="2.421455" z3="-0.074499">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="1.810044" y3="-3.857077" z3="-0.063612">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="0.495766" y3="-4.231959" z3="0.03784">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-0.276292" y3="-3.028875" z3="0.071087">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.542481" y3="-1.901863" z3="0.001188">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.832411" y3="-2.42762" z3="-0.075473">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.854931" y3="1.806631" z3="0.060528">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.229967" y3="0.49236" z3="-0.039907">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="3.0270" y3="-0.280035" z3="-0.070841">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.89992" y3="0.538685" z3="-0.000956">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.425497" y3="1.828779" z3="0.073591">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.853146" y3="-1.811525" z3="0.067999">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.228013" y3="-0.497211" z3="-0.032667">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-3.001789" y3="1.667708" z3="-0.117254">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="3.003877" y3="-1.67358" z3="-0.120685">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="1.671534" y3="3.000005" z3="0.117593">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-1.669876" y3="-3.005595" z3="0.122045">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-2.68902" y3="4.49187" z3="-0.114367">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-0.084108" y3="5.235653" z3="0.071382">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="2.690359" y3="-4.498342" z3="-0.115424">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="0.085722" y3="-5.24158" z3="0.074233">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.496074" y3="2.68715" z3="0.110553">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.239605" y3="0.082432" z3="-0.077144">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.494418" y3="-2.691807" z3="0.119994">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.237637" y3="-0.087014" z3="-0.068191">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="4.300786" y3="-2.392848" z3="-0.227985">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.873854" y3="-2.618532" z3="-1.490047">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="5.013567" y3="-2.873861" z3="0.882807">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="6.086214" y3="-3.287541" z3="-1.643043">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="6.229281" y3="-3.548215" z3="0.749962">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="6.765411" y3="-3.755138" z3="-0.518826">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.338602" y3="-2.251716" z3="-2.370738">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="6.499852" y3="-3.444701" z3="-2.641958">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="6.754643" y3="-3.908332" z3="1.63679">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="7.716669" y3="-4.282541" z3="-0.622038">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-2.389157" y3="-4.302579" z3="0.227307">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-2.601764" y3="-4.88575" z3="1.487131">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-2.882739" y3="-5.005996" z3="-0.884227">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-3.27031" y3="-6.098958" z3="1.637411">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-3.557007" y3="-6.222188" z3="-0.754104">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-3.750786" y3="-6.768576" z3="0.512689">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-2.224995" y3="-4.35797" z3="2.368134">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-3.41716" y3="-6.520594" z3="2.634562">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-3.927146" y3="-6.740004" z3="-1.641237">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-4.278056" y3="-7.720136" z3="0.613853">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-4.299321" y3="2.387029" z3="-0.222472">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-5.006757" y3="2.877596" z3="0.891132">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.880896" y3="2.603984" z3="-1.486264">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-6.22613" y3="3.553497" z3="0.760437">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-6.097485" y3="3.274307" z3="-1.638358">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-6.771768" y3="3.751986" z3="-0.511078">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.350553" y3="2.230152" z3="-2.367119">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-6.745944" y3="3.920462" z3="1.647815">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-6.51664" y3="3.424062" z3="-2.636248">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-7.723447" y3="4.279187" z3="-0.612787">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="2.390758" y3="4.297189" z3="0.222617">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="2.874558" y3="5.006967" z3="-0.889624">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="2.613766" y3="4.87415" z3="1.483958">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="3.549047" y3="6.223482" z3="-0.758936">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="3.282852" y3="6.087544" z3="1.635028">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="3.753259" y3="6.763697" z3="0.509462">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="2.244898" y3="4.34147" z3="2.365379">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="3.91124" y3="6.746131" z3="-1.646525">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="3.437799" y3="6.504089" z3="2.633109">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="4.280537" y3="7.715221" z3="0.61109">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-2.63316" y3="-4.308345" z3="-2.642272">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-4.312888" y3="2.623052" z3="2.650151">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="2.611229" y3="4.318219" z3="-2.649062">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.330071" y3="-2.606291" z3="2.643703">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.001047" y3="-0.002895" z3="0.000785">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.0249,.2746,-.0665;-1.8979,-.5442,.0021;-2.4237,-1.8341,.0784;-1.8085,3.8508,-.0636;-.4941,4.226,.0359;.2781,3.023,.0684;-.5406,1.8959,.0004;-1.8306,2.4215,-.0745;1.81,-3.8571,-.0636;.4958,-4.232,.0378;-.2763,-3.0289,.0711;.5425,-1.9019,.0012;1.8324,-2.4276,-.0755;3.8549,1.8066,.0605;4.23,.4924,-.0399;3.027,-.28,-.0708;1.8999,.5387,-.001;2.4255,1.8288,.0736;-3.8531,-1.8115,.068;-4.228,-.4972,-.0327;-3.0018,1.6677,-.1173;3.0039,-1.6736,-.1207;1.6715,3,.1176;-1.6699,-3.0056,.122;-2.689,4.4919,-.1144;-.0841,5.2357,.0714;2.6904,-4.4983,-.1154;.0857,-5.2416,.0742;4.4961,2.6871,.1106;5.2396,.0824,-.0771;-4.4944,-2.6918,.12;-5.2376,-.087,-.0682;4.3008,-2.3928,-.228;4.8739,-2.6185,-1.49;5.0136,-2.8739,.8828;6.0862,-3.2875,-1.643;6.2293,-3.5482,.75;6.7654,-3.7551,-.5188;4.3386,-2.2517,-2.3707;6.4999,-3.4447,-2.642;6.7546,-3.9083,1.6368;7.7167,-4.2825,-.622;-2.3892,-4.3026,.2273;-2.6018,-4.8857,1.4871;-2.8827,-5.006,-.8842;-3.2703,-6.099,1.6374;-3.557,-6.2222,-.7541;-3.7508,-6.7686,.5127;-2.225,-4.358,2.3681;-3.4172,-6.5206,2.6346;-3.9271,-6.74,-1.6412;-4.2781,-7.7201,.6139;-4.2993,2.387,-.2225;-5.0068,2.8776,.8911;-4.8809,2.604,-1.4863;-6.2261,3.5535,.7604;-6.0975,3.2743,-1.6384;-6.7718,3.752,-.5111;-4.3506,2.2302,-2.3671;-6.7459,3.9205,1.6478;-6.5166,3.4241,-2.6362;-7.7234,4.2792,-.6128;2.3908,4.2972,.2226;2.8746,5.007,-.8896;2.6138,4.8742,1.484;3.549,6.2235,-.7589;3.2829,6.0875,1.635;3.7533,6.7637,.5095;2.2449,4.3415,2.3654;3.9112,6.7461,-1.6465;3.4378,6.5041,2.6331;4.2805,7.7152,.6111;-2.6332,-4.3083,-2.6423;-4.3129,2.6231,2.6502;2.6112,4.3182,-2.6491;4.3301,-2.6063,2.6437;.001,-.0029,.0008;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0341616 0.0341177 0.0206904</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.174115" y3="2.126839" z3="-0.063862">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.81754" y3="0.780022" z3="0.003213">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-3.039317" y3="0.11268" z3="0.078686">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.0343" y3="4.131291" z3="-0.061384">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="2.288944" y3="3.591406" z3="0.036288">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.125999" y3="2.171227" z3="0.068515">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.778457" y3="1.815912" z3="0.001776">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="0.112527" y3="3.038472" z3="-0.071849">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-1.036368" y3="-4.129306" z3="-0.063419">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-2.291392" y3="-3.59001" z3="0.036873">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.12899" y3="-2.170154" z3="0.070572">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.781957" y3="-1.81436" z3="0.001788">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-0.115521" y3="-3.036378" z3="-0.07448">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.128068" y3="-1.03558" z3="0.059774">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="3.587778" y3="-2.290163" z3="-0.039476">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.167895" y3="-2.126874" z3="-0.070053">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.812868" y3="-0.779663" z3="-0.000796">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="3.035557" y3="-0.113888" z3="0.072823">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.133072" y3="1.032495" z3="0.069293">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-3.594839" y3="2.287898" z3="-0.029646">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-1.27628" y3="3.193314" z3="-0.114043">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="1.271125" y3="-3.191271" z3="-0.119539">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.191071" y3="1.2737" z3="0.1168">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.193625" y3="-1.273997" z3="0.12138">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="0.75796" y3="5.184581" z3="-0.111678">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="3.245651" y3="4.113455" z3="0.070788">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-0.759636" y3="-5.182533" z3="-0.115367">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-3.247751" y3="-4.112608" z3="0.072264">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.181527" y3="-0.759494" z3="0.109407">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.109576" y3="-3.246979" z3="-0.076193">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.186049" y3="0.754627" z3="0.121148">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.118185" y3="3.243725" z3="-0.063855">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="1.825387" y3="-4.5677" z3="-0.226093">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="2.127372" y3="-5.104127" z3="-1.488876">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="2.078175" y3="-5.392338" z3="0.88325">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="2.647844" y3="-6.387898" z3="-1.642921">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="2.597726" y3="-6.681441" z3="0.751539">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="2.882722" y3="-7.17999" z3="-0.519294">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="1.941753" y3="-4.481938" z3="-2.369329">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="2.86903" y3="-6.770044" z3="-2.642319">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="2.780074" y3="-7.29142" z3="1.638077">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="3.289535" y3="-8.188584" z3="-0.623684">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.56976" y3="-1.828636" z3="0.224636">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.103344" y3="-2.148531" z3="1.483398">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.396266" y3="-2.064374" z3="-0.885968">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.386242" y3="-2.66993" z3="1.632225">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-6.684852" y3="-2.584381" z3="-0.759143">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.180426" y3="-2.887378" z3="0.507513">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.479205" y3="-1.976326" z3="2.365166">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-6.766543" y3="-2.905452" z3="2.629032">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.296971" y3="-2.75326" z3="-1.646887">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.18913" y3="-3.294798" z3="0.608074">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-1.829823" y3="4.567504" z3="-0.21703">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-2.068416" y3="5.3852" z3="0.88288">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-2.14097" y3="5.097744" z3="-1.460017">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-2.581606" y3="6.657487" z3="0.75605">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-2.654615" y3="6.363488" z3="-1.603812">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-2.874084" y3="7.145772" z3="-0.491607">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-1.96566" y3="4.476722" z3="-2.342709">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-2.754706" y3="7.268924" z3="1.642942">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-2.886275" y3="6.746319" z3="-2.599936">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-3.28102" y3="8.154027" z3="-0.592002">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.567363" y3="1.827604" z3="0.219994">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.388323" y3="2.0748" z3="-0.889747">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.105222" y3="2.134069" z3="1.478035">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="6.675214" y3="2.593224" z3="-0.762635">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.38638" y3="2.653353" z3="1.62667">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.174703" y3="2.882553" z3="0.502743">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.484829" y3="1.952557" z3="2.360484">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.283775" y3="2.77158" z3="-1.650906">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="6.770635" y3="2.878631" z3="2.624232">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.183579" y3="3.2893" z3="0.603453">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.764618" y3="-1.680066" z3="-2.641441">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-1.69185" y3="4.752273" z3="2.637593">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.750187" y3="1.708494" z3="-2.646465">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="1.719667" y3="-4.758744" z3="2.643312">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.00203" y3="0.000787" z3="0.001642">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.1741,2.1268,-.0639;-1.8175,.78,.0032;-3.0393,.1127,.0787;1.0343,4.1313,-.0614;2.2889,3.5914,.0363;2.126,2.1712,.0685;.7785,1.8159,.0018;.1125,3.0385,-.0718;-1.0364,-4.1293,-.0634;-2.2914,-3.59,.0369;-2.129,-2.1702,.0706;-.782,-1.8144,.0018;-.1155,-3.0364,-.0745;4.1281,-1.0356,.0598;3.5878,-2.2902,-.0395;2.1679,-2.1269,-.0701;1.8129,-.7797,-.0008;3.0356,-.1139,.0728;-4.1331,1.0325,.0693;-3.5948,2.2879,-.0296;-1.2763,3.1933,-.114;1.2711,-3.1913,-.1195;3.1911,1.2737,.1168;-3.1936,-1.274,.1214;.758,5.1846,-.1117;3.2457,4.1135,.0708;-.7596,-5.1825,-.1154;-3.2478,-4.1126,.0723;5.1815,-.7595,.1094;4.1096,-3.247,-.0762;-5.186,.7546,.1211;-4.1182,3.2437,-.0639;1.8254,-4.5677,-.2261;2.1274,-5.1041,-1.4889;2.0782,-5.3923,.8832;2.6478,-6.3879,-1.6429;2.5977,-6.6814,.7515;2.8827,-7.18,-.5193;1.9418,-4.4819,-2.3693;2.869,-6.77,-2.6423;2.7801,-7.2914,1.6381;3.2895,-8.1886,-.6237;-4.5698,-1.8286,.2246;-5.1033,-2.1485,1.4834;-5.3963,-2.0644,-.886;-6.3862,-2.6699,1.6322;-6.6849,-2.5844,-.7591;-7.1804,-2.8874,.5075;-4.4792,-1.9763,2.3652;-6.7665,-2.9055,2.629;-7.297,-2.7533,-1.6469;-8.1891,-3.2948,.6081;-1.8298,4.5675,-.217;-2.0684,5.3852,.8829;-2.141,5.0977,-1.46;-2.5816,6.6575,.756;-2.6546,6.3635,-1.6038;-2.8741,7.1458,-.4916;-1.9657,4.4767,-2.3427;-2.7547,7.2689,1.6429;-2.8863,6.7463,-2.5999;-3.281,8.154,-.592;4.5674,1.8276,.22;5.3883,2.0748,-.8897;5.1052,2.1341,1.478;6.6752,2.5932,-.7626;6.3864,2.6534,1.6267;7.1747,2.8826,.5027;4.4848,1.9526,2.3605;7.2838,2.7716,-1.6509;6.7706,2.8786,2.6242;8.1836,3.2893,.6035;-4.7646,-1.6801,-2.6414;-1.6919,4.7523,2.6376;4.7502,1.7085,-2.6465;1.7197,-4.7587,2.6433;-.002,.0008,.0016;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0342047 0.0341546 0.0207012</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.029629" y3="0.222362" z3="-0.064699">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.888814" y3="-0.577876" z3="0.002397">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.392305" y3="-1.876002" z3="0.077586">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-1.875108" y3="3.818907" z3="-0.062445">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-0.567342" y3="4.217168" z3="0.03488">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="0.225783" y3="3.0274" z3="0.067311">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.574292" y3="1.886494" z3="0.0010">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.872667" y3="2.389849" z3="-0.072625">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="1.87646" y3="-3.825366" z3="-0.06229">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="0.568857" y3="-4.223551" z3="0.037182">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-0.224208" y3="-3.033666" z3="0.070338">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.575821" y3="-1.892759" z3="0.001935">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.874067" y3="-2.396218" z3="-0.073588">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.822924" y3="1.872858" z3="0.059363">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.220993" y3="0.565139" z3="-0.039001">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="3.031152" y3="-0.227941" z3="-0.06951">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.89033" y3="0.572048" z3="-0.001016">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.393838" y3="1.870409" z3="0.072102">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.8215" y3="-1.878079" z3="0.067834">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.219557" y3="-0.570364" z3="-0.030839">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-3.030689" y3="1.615516" z3="-0.11457">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="3.032284" y3="-1.621567" z3="-0.118274">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="1.619304" y3="3.028572" z3="0.115391">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-1.617888" y3="-3.034474" z3="0.120363">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-2.766794" y3="4.444498" z3="-0.112751">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-0.174345" y3="5.233574" z3="0.068998">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="2.767979" y3="-4.451079" z3="-0.113641">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="0.176005" y3="-5.239954" z3="0.072358">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.448631" y3="2.764502" z3="0.108676">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.237315" y3="0.172121" z3="-0.075147">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.447227" y3="-2.769556" z3="0.119376">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.235919" y3="-0.177197" z3="-0.065088">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="4.341878" y3="-2.318492" z3="-0.223502">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.918864" y3="-2.536006" z3="-1.485196">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="5.064513" y3="-2.785765" z3="0.887016">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="6.142871" y3="-3.183829" z3="-1.637666">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="6.292139" y3="-3.438599" z3="0.755618">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="6.8312" y3="-3.637786" z3="-0.513631">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.377129" y3="-2.180016" z3="-2.366417">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="6.558742" y3="-3.335043" z3="-2.636611">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="6.824236" y3="-3.787727" z3="1.642619">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="7.791628" y3="-4.148283" z3="-0.616973">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-2.315371" y3="-4.343835" z3="0.222646">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-2.519442" y3="-4.932332" z3="1.48139">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-2.796166" y3="-5.05529" z3="-0.889523">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-3.167342" y3="-6.156944" z3="1.629536">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-3.449561" y3="-6.283185" z3="-0.762337">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-3.63518" y3="-6.833939" z3="0.504085">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-2.152718" y3="-4.399424" z3="2.363595">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-3.307985" y3="-6.582044" z3="2.626148">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-3.809557" y3="-6.806414" z3="-1.650281">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-4.146046" y3="-7.794523" z3="0.604153">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-4.34057" y3="2.312768" z3="-0.217238">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-5.056045" y3="2.790042" z3="0.897232">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.927421" y3="2.52132" z3="-1.480106">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-6.287394" y3="3.444856" z3="0.769258">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-6.155496" y3="3.170751" z3="-1.629924">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-6.837254" y3="3.63533" z3="-0.501676">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.391885" y3="2.157872" z3="-2.3622">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-6.812832" y3="3.801367" z3="1.657405">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-6.57815" y3="3.314503" z3="-2.627252">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-7.798044" y3="4.145968" z3="-0.602216">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="2.316346" y3="4.338292" z3="0.217571">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="2.78612" y3="5.056386" z3="-0.895351">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="2.531523" y3="4.920366" z3="1.477874">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="3.439311" y3="6.28478" z3="-0.767526">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="3.179559" y3="6.145208" z3="1.626738">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="3.636134" y3="6.829084" z3="0.500363">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="2.173602" y3="4.382261" z3="2.360551">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="3.790426" y3="6.813214" z3="-1.655959">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="3.328914" y3="6.56508" z3="2.624304">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="4.146714" y3="7.789789" z3="0.600846">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-2.558175" y3="-4.354075" z3="-2.645888">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-4.357852" y3="2.546093" z3="2.65447">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="2.532962" y3="4.364468" z3="-2.653313">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.380506" y3="-2.529455" z3="2.647368">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000789" y3="-0.003067" z3="0.001232">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.0296,.2224,-.0647;-1.8888,-.5779,.0024;-2.3923,-1.876,.0776;-1.8751,3.8189,-.0624;-.5673,4.2172,.0349;.2258,3.0274,.0673;-.5743,1.8865,.001;-1.8727,2.3898,-.0726;1.8765,-3.8254,-.0623;.5689,-4.2236,.0372;-.2242,-3.0337,.0703;.5758,-1.8928,.0019;1.8741,-2.3962,-.0736;3.8229,1.8729,.0594;4.221,.5651,-.039;3.0312,-.2279,-.0695;1.8903,.572,-.001;2.3938,1.8704,.0721;-3.8215,-1.8781,.0678;-4.2196,-.5704,-.0308;-3.0307,1.6155,-.1146;3.0323,-1.6216,-.1183;1.6193,3.0286,.1154;-1.6179,-3.0345,.1204;-2.7668,4.4445,-.1128;-.1743,5.2336,.069;2.768,-4.4511,-.1136;.176,-5.24,.0724;4.4486,2.7645,.1087;5.2373,.1721,-.0751;-4.4472,-2.7696,.1194;-5.2359,-.1772,-.0651;4.3419,-2.3185,-.2235;4.9189,-2.536,-1.4852;5.0645,-2.7858,.887;6.1429,-3.1838,-1.6377;6.2921,-3.4386,.7556;6.8312,-3.6378,-.5136;4.3771,-2.18,-2.3664;6.5587,-3.335,-2.6366;6.8242,-3.7877,1.6426;7.7916,-4.1483,-.617;-2.3154,-4.3438,.2226;-2.5194,-4.9323,1.4814;-2.7962,-5.0553,-.8895;-3.1673,-6.1569,1.6295;-3.4496,-6.2832,-.7623;-3.6352,-6.8339,.5041;-2.1527,-4.3994,2.3636;-3.308,-6.582,2.6261;-3.8096,-6.8064,-1.6503;-4.146,-7.7945,.6042;-4.3406,2.3128,-.2172;-5.056,2.79,.8972;-4.9274,2.5213,-1.4801;-6.2874,3.4449,.7693;-6.1555,3.1708,-1.6299;-6.8373,3.6353,-.5017;-4.3919,2.1579,-2.3622;-6.8128,3.8014,1.6574;-6.5781,3.3145,-2.6273;-7.798,4.146,-.6022;2.3163,4.3383,.2176;2.7861,5.0564,-.8954;2.5315,4.9204,1.4779;3.4393,6.2848,-.7675;3.1796,6.1452,1.6267;3.6361,6.8291,.5004;2.1736,4.3823,2.3606;3.7904,6.8132,-1.656;3.3289,6.5651,2.6243;4.1467,7.7898,.6008;-2.5582,-4.3541,-2.6459;-4.3579,2.5461,2.6545;2.533,4.3645,-2.6533;4.3805,-2.5295,2.6474;.0008,-.0031,.0012;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0341423 0.0340912 0.0206819</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-1.851938" y3="2.412516" z3="-0.062107">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.688355" y3="1.029607" z3="0.003092">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.993285" y3="0.540547" z3="0.076972">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.608767" y3="3.945312" z3="-0.061598">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="2.773707" y3="3.232452" z3="0.033611">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.411816" y3="1.849987" z3="0.066345">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="1.028278" y3="1.687921" z3="0.001655">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="0.540662" y3="2.993066" z3="-0.070813">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-1.609604" y3="-3.942061" z3="-0.062261">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-2.774764" y3="-3.229427" z3="0.035016">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.413226" y3="-1.847416" z3="0.068626">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-1.03019" y3="-1.684937" z3="0.002177">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-0.542244" y3="-2.989696" z3="-0.072291">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.942422" y3="-1.608325" z3="0.060677">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="3.229493" y3="-2.773336" z3="-0.035668">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.846958" y3="-2.411579" z3="-0.066656">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.685057" y3="-1.028038" z3="0.000163">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.990204" y3="-0.540409" z3="0.07231">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.946661" y3="1.6067" z3="0.068414">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-3.23528" y3="2.772432" z3="-0.027919">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-0.812218" y3="3.34192" z3="-0.111379">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="0.808155" y3="-3.338976" z3="-0.115311">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.339648" y3="0.81073" z3="0.114065">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.341043" y3="-0.809984" z3="0.118103">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="1.485038" y3="5.027105" z3="-0.111333">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="3.794776" y3="3.613862" z3="0.066476">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-1.485671" y3="-5.023896" z3="-0.113123">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-3.7957" y3="-3.611201" z3="0.068772">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.024341" y3="-1.484582" z3="0.109524">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="3.610963" y3="-3.794343" z3="-0.070531">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.028395" y3="1.481474" z3="0.119362">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-3.618115" y3="3.792795" z3="-0.060707">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="1.160477" y3="-4.779276" z3="-0.218421">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="1.383854" y3="-5.358086" z3="-1.479127">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="1.291369" y3="-5.623854" z3="0.89563">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="1.715959" y3="-6.702992" z3="-1.626863">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="1.622365" y3="-6.974374" z3="0.768533">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="1.8345" y3="-7.514484" z3="-0.498277">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="1.289526" y3="-4.719719" z3="-2.362408">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="1.88126" y3="-7.117558" z3="-2.624096">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="1.715342" y3="-7.600254" z3="1.658186">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="2.093522" y3="-8.5713" z3="-0.596914">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.780565" y3="-1.165851" z3="0.2173">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.358589" y3="-1.408136" z3="1.474078">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.624848" y3="-1.282183" z3="-0.898124">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.702481" y3="-1.744204" z3="1.616997">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-6.974236" y3="-1.616587" z3="-0.77571">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.513559" y3="-1.847459" z3="0.487601">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.720273" y3="-1.325576" z3="2.35855">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-7.116756" y3="-1.924353" z3="2.611762">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.600162" y3="-1.697887" z3="-1.666486">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.569978" y3="-2.109309" z3="0.58273">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-1.166625" y3="4.779836" z3="-0.210757">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-1.286622" y3="5.616669" z3="0.893064">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-1.400445" y3="5.352551" z3="-1.451577">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-1.615764" y3="6.948309" z3="0.770392">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-1.730666" y3="6.678342" z3="-1.590516">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-1.837216" y3="7.478512" z3="-0.474795">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-1.314675" y3="4.716218" z3="-2.336519">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-1.700917" y3="7.574488" z3="1.66016">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-1.906496" y3="7.093988" z3="-2.58486">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-2.098207" y3="8.534475" z3="-0.570491">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.779854" y3="1.163788" z3="0.21345">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.621278" y3="1.290401" z3="-0.901156">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.360222" y3="1.392032" z3="1.469785">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="6.969497" y3="1.621666" z3="-0.778323">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.703164" y3="1.7246" z3="1.6130">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.510927" y3="1.838623" z3="0.484471">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.723766" y3="1.301106" z3="2.354707">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.593616" y3="1.711303" z3="-1.669508">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="7.119766" y3="1.894031" z3="2.608608">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.567775" y3="2.098337" z3="0.580056">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.932589" y3="-0.988449" z3="-2.651612">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-1.00119" y3="4.927041" z3="2.646458">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.926009" y3="1.014815" z3="-2.656012">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="1.022706" y3="-4.931202" z3="2.653054">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.001198" y3="0.001462" z3="0.001909">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.8519,2.4125,-.0621;-1.6884,1.0296,.0031;-2.9933,.5405,.077;1.6088,3.9453,-.0616;2.7737,3.2325,.0336;2.4118,1.85,.0663;1.0283,1.6879,.0017;.5407,2.9931,-.0708;-1.6096,-3.9421,-.0623;-2.7748,-3.2294,.035;-2.4132,-1.8474,.0686;-1.0302,-1.6849,.0022;-.5422,-2.9897,-.0723;3.9424,-1.6083,.0607;3.2295,-2.7733,-.0357;1.847,-2.4116,-.0667;1.6851,-1.028,.0002;2.9902,-.5404,.0723;-3.9467,1.6067,.0684;-3.2353,2.7724,-.0279;-.8122,3.3419,-.1114;.8082,-3.339,-.1153;3.3396,.8107,.1141;-3.341,-.81,.1181;1.485,5.0271,-.1113;3.7948,3.6139,.0665;-1.4857,-5.0239,-.1131;-3.7957,-3.6112,.0688;5.0243,-1.4846,.1095;3.611,-3.7943,-.0705;-5.0284,1.4815,.1194;-3.6181,3.7928,-.0607;1.1605,-4.7793,-.2184;1.3839,-5.3581,-1.4791;1.2914,-5.6239,.8956;1.716,-6.703,-1.6269;1.6224,-6.9744,.7685;1.8345,-7.5145,-.4983;1.2895,-4.7197,-2.3624;1.8813,-7.1176,-2.6241;1.7153,-7.6003,1.6582;2.0935,-8.5713,-.5969;-4.7806,-1.1659,.2173;-5.3586,-1.4081,1.4741;-5.6248,-1.2822,-.8981;-6.7025,-1.7442,1.617;-6.9742,-1.6166,-.7757;-7.5136,-1.8475,.4876;-4.7203,-1.3256,2.3586;-7.1168,-1.9244,2.6118;-7.6002,-1.6979,-1.6665;-8.57,-2.1093,.5827;-1.1666,4.7798,-.2108;-1.2866,5.6167,.8931;-1.4004,5.3526,-1.4516;-1.6158,6.9483,.7704;-1.7307,6.6783,-1.5905;-1.8372,7.4785,-.4748;-1.3147,4.7162,-2.3365;-1.7009,7.5745,1.6602;-1.9065,7.094,-2.5849;-2.0982,8.5345,-.5705;4.7799,1.1638,.2135;5.6213,1.2904,-.9012;5.3602,1.392,1.4698;6.9695,1.6217,-.7783;6.7032,1.7246,1.613;7.5109,1.8386,.4845;4.7238,1.3011,2.3547;7.5936,1.7113,-1.6695;7.1198,1.894,2.6086;8.5678,2.0983,.5801;-4.9326,-.9884,-2.6516;-1.0012,4.927,2.6465;4.926,1.0148,-2.656;1.0227,-4.9312,2.6531;-.0012,.0015,.0019;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0342502 0.0342064 0.0207593</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.037955" y3="-0.035646" z3="-0.062283">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.833355" y3="-0.73579" z3="0.002868">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.224769" y3="-2.072677" z3="0.076667">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-2.193318" y3="3.64659" z3="-0.063701">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-0.923871" y3="4.1540" z3="0.031235">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-0.032718" y3="3.036183" z3="0.064695">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.732597" y3="1.831491" z3="0.000533">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-2.069659" y3="2.222491" z3="-0.072076">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="2.194509" y3="-3.65222" z3="-0.062457">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="0.925093" y3="-4.159354" z3="0.034265">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="0.034155" y3="-3.041321" z3="0.067985">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.734135" y3="-1.836719" z3="0.00191">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="2.071095" y3="-2.227912" z3="-0.072126">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.650302" y3="2.191394" z3="0.061264">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.157504" y3="0.922019" z3="-0.034395">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="3.039661" y3="0.030845" z3="-0.065764">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.834986" y3="0.730731" z3="0.000337">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.226071" y3="2.067802" z3="0.072136">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.649013" y3="-2.19582" z3="0.068352">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.156031" y3="-0.926307" z3="-0.027876">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-3.157442" y3="1.352606" z3="-0.111866">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="3.159311" y3="-1.357774" z3="-0.114343">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="1.355935" y3="3.155856" z3="0.112748">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-1.354709" y3="-3.160841" z3="0.117369">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-3.134561" y3="4.194697" z3="-0.113696">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-0.61864" y3="5.200216" z3="0.063523">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="3.135525" y3="-4.200599" z3="-0.113098">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="0.619895" y3="-5.205515" z3="0.067635">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.198539" y3="3.132603" z3="0.110022">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.203657" y3="0.616753" z3="-0.068629">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.197418" y3="-3.136798" z3="0.119295">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.20218" y3="-0.620799" z3="-0.060514">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="4.523295" y3="-1.941377" z3="-0.216583">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="5.119445" y3="-2.109436" z3="-1.47707">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="5.279531" y3="-2.345467" z3="0.896882">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="6.394222" y3="-2.651277" z3="-1.626332">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="6.558392" y3="-2.891693" z3="0.767659">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="7.115574" y3="-3.044771" z3="-0.499864">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.551623" y3="-1.800769" z3="-2.359657">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="6.823932" y3="-2.76705" z3="-2.624117">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="7.116204" y3="-3.194267" z3="1.656137">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="8.116076" y3="-3.472054" z3="-0.600437">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-1.937673" y3="-4.525229" z3="0.215834">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-2.091706" y3="-5.132256" z3="1.47291">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-2.354453" y3="-5.271522" z3="-0.899744">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-2.632532" y3="-6.4082" z3="1.617007">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-2.900074" y3="-6.551207" z3="-0.775745">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-3.039272" y3="-7.119418" z3="0.488687">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-1.772808" y3="-4.572305" z3="2.356888">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-2.737388" y3="-6.846618" z3="2.612214">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-3.212791" y3="-7.101164" z3="-1.665608">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-3.466028" y3="-8.120535" z3="0.585322">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-4.522173" y3="1.93589" z3="-0.211122">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-5.272474" y3="2.349601" z3="0.906354">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-5.127695" y3="2.094429" z3="-1.472423">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-6.555553" y3="2.896889" z3="0.781344">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-6.407181" y3="2.637052" z3="-1.618686">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-7.123073" y3="3.040831" z3="-0.487961">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.565328" y3="1.778498" z3="-2.35607">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-7.107372" y3="3.206468" z3="1.671244">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-6.843137" y3="2.745057" z3="-2.61476">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-8.124178" y3="3.467725" z3="-0.585478">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="1.939408" y3="4.520177" z3="0.211281">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="2.346171" y3="5.271851" z3="-0.904752">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="2.104611" y3="5.121738" z3="1.469858">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="2.892342" y3="6.551507" z3="-0.779831">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="2.646333" y3="6.397532" z3="1.614974">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="3.042588" y3="7.114256" z3="0.486125">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="1.793857" y3="4.557664" z3="2.354125">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="3.196968" y3="7.105514" z3="-1.669987">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="2.759854" y3="6.831489" z3="2.611192">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="3.469703" y3="8.115164" z3="0.583453">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-2.174926" y3="-4.546023" z3="-2.654982">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-4.55075" y3="2.164722" z3="2.662813">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="2.152514" y3="4.554543" z3="-2.661792">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.569707" y3="-2.147896" z3="2.656494">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000826" y3="-0.00259" z3="0.001577">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.038,-.0356,-.0623;-1.8334,-.7358,.0029;-2.2248,-2.0727,.0767;-2.1933,3.6466,-.0637;-.9239,4.154,.0312;-.0327,3.0362,.0647;-.7326,1.8315,.0005;-2.0697,2.2225,-.0721;2.1945,-3.6522,-.0625;.9251,-4.1594,.0343;.0342,-3.0413,.068;.7341,-1.8367,.0019;2.0711,-2.2279,-.0721;3.6503,2.1914,.0613;4.1575,.922,-.0344;3.0397,.0308,-.0658;1.835,.7307,.0003;2.2261,2.0678,.0721;-3.649,-2.1958,.0684;-4.156,-.9263,-.0279;-3.1574,1.3526,-.1119;3.1593,-1.3578,-.1143;1.3559,3.1559,.1127;-1.3547,-3.1608,.1174;-3.1346,4.1947,-.1137;-.6186,5.2002,.0635;3.1355,-4.2006,-.1131;.6199,-5.2055,.0676;4.1985,3.1326,.11;5.2037,.6168,-.0686;-4.1974,-3.1368,.1193;-5.2022,-.6208,-.0605;4.5233,-1.9414,-.2166;5.1194,-2.1094,-1.4771;5.2795,-2.3455,.8969;6.3942,-2.6513,-1.6263;6.5584,-2.8917,.7677;7.1156,-3.0448,-.4999;4.5516,-1.8008,-2.3597;6.8239,-2.767,-2.6241;7.1162,-3.1943,1.6561;8.1161,-3.4721,-.6004;-1.9377,-4.5252,.2158;-2.0917,-5.1323,1.4729;-2.3545,-5.2715,-.8997;-2.6325,-6.4082,1.617;-2.9001,-6.5512,-.7757;-3.0393,-7.1194,.4887;-1.7728,-4.5723,2.3569;-2.7374,-6.8466,2.6122;-3.2128,-7.1012,-1.6656;-3.466,-8.1205,.5853;-4.5222,1.9359,-.2111;-5.2725,2.3496,.9064;-5.1277,2.0944,-1.4724;-6.5556,2.8969,.7813;-6.4072,2.6371,-1.6187;-7.1231,3.0408,-.488;-4.5653,1.7785,-2.3561;-7.1074,3.2065,1.6712;-6.8431,2.7451,-2.6148;-8.1242,3.4677,-.5855;1.9394,4.5202,.2113;2.3462,5.2719,-.9048;2.1046,5.1217,1.4699;2.8923,6.5515,-.7798;2.6463,6.3975,1.615;3.0426,7.1143,.4861;1.7939,4.5577,2.3541;3.197,7.1055,-1.67;2.7599,6.8315,2.6112;3.4697,8.1152,.5835;-2.1749,-4.546,-2.655;-4.5507,2.1647,2.6628;2.1525,4.5545,-2.6618;4.5697,-2.1479,2.6565;.0008,-.0026,.0016;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0341427 0.0340942 0.0207040</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-1.997975" y3="2.292752" z3="-0.058237">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.748491" y3="0.921986" z3="0.003968">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-3.019314" y3="0.352579" z3="0.07593">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.359105" y3="4.034968" z3="-0.062543">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="2.567536" y3="3.397014" z3="0.028828">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.292562" y3="1.994554" z3="0.062278">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.921095" y3="1.746673" z3="0.000803">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="0.353413" y3="3.01823" z3="-0.069583">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-1.3594" y3="-4.034128" z3="-0.062283">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-2.568398" y3="-3.397132" z3="0.031344">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.294658" y3="-1.994552" z3="0.065455">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.923758" y3="-1.745869" z3="0.001853">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-0.355341" y3="-3.016959" z3="-0.070498">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.0329" y3="-1.358645" z3="0.060903">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="3.394906" y3="-2.567396" z3="-0.031587">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.992274" y3="-2.292706" z3="-0.062928">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.744414" y3="-0.921686" z3="0.000808">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="3.016046" y3="-0.353743" z3="0.070638">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.037355" y3="1.356024" z3="0.069464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-3.401432" y3="2.565328" z3="-0.023272">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-1.018319" y3="3.284382" z3="-0.106437">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="1.013736" y3="-3.282501" z3="-0.110146">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.282397" y3="1.015808" z3="0.108678">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.284488" y3="-1.016918" z3="0.113664">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="1.166747" y3="5.106988" z3="-0.111196">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="3.562567" y3="3.841936" z3="0.059337">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-1.166148" y3="-5.106123" z3="-0.111955">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-3.562943" y3="-3.843088" z3="0.063026">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.105051" y3="-1.1660" z3="0.108445">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="3.839964" y3="-3.562287" z3="-0.064277">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.109151" y3="1.161797" z3="0.119474">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-3.848138" y3="3.559353" z3="-0.053803">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="1.454877" y3="-4.699382" z3="-0.207847">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="1.716782" y3="-5.269151" z3="-1.464415">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="1.63503" y3="-5.529973" z3="0.907915">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="2.132053" y3="-6.592215" z3="-1.604959">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="2.049259" y3="-6.858369" z3="0.790578">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="2.297907" y3="-7.389861" z3="-0.473803">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="1.585494" y3="-4.641833" z3="-2.351008">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="2.325278" y3="-7.000153" z3="-2.600016">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="2.178425" y3="-7.47341" z3="1.683392">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="2.622226" y3="-8.429073" z3="-0.567209">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.701788" y3="-1.457643" z3="0.207305">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.26969" y3="-1.736566" z3="1.460812">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.534909" y3="-1.621434" z3="-0.909535">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.592437" y3="-2.15201" z3="1.597721">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-6.863189" y3="-2.035416" z3="-0.794987">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.392139" y3="-2.300827" z3="0.466285">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.640782" y3="-1.618556" z3="2.34811">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-6.998861" y3="-2.358615" z3="2.590697">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.4803" y3="-2.151644" z3="-1.688151">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.431572" y3="-2.625096" z3="0.557214">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-1.458225" y3="4.699552" z3="-0.20012">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-1.624976" y3="5.524106" z3="0.905636">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-1.729232" y3="5.262731" z3="-1.437796">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-2.033399" y3="6.834714" z3="0.790902">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-2.138322" y3="6.566987" z3="-1.57012">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-2.289607" y3="7.355113" z3="-0.451765">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-1.608239" y3="4.636385" z3="-2.325845">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-2.153391" y3="7.451645" z3="1.683175">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-2.341382" y3="6.97525" z3="-2.562461">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-2.613556" y3="8.394006" z3="-0.542726">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.699446" y3="1.456476" z3="0.202107">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.527278" y3="1.630978" z3="-0.914789">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.271048" y3="1.723514" z3="1.455072">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="6.854464" y3="2.044546" z3="-0.801438">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.592643" y3="2.138146" z3="1.590941">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.387294" y3="2.298215" z3="0.458952">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.645419" y3="1.596654" z3="2.343432">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.46817" y3="2.169439" z3="-1.695733">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="7.002528" y3="2.335681" z3="2.584294">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.426773" y3="2.62241" z3="0.549048">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.858462" y3="-1.283536" z3="-2.658716">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-1.293523" y3="4.847543" z3="2.654014">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.843504" y3="1.307397" z3="-2.663628">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="1.318991" y3="-4.849492" z3="2.659402">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.001731" y3="0.000561" z3="0.001972">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.998,2.2928,-.0582;-1.7485,.922,.004;-3.0193,.3526,.0759;1.3591,4.035,-.0625;2.5675,3.397,.0288;2.2926,1.9946,.0623;.9211,1.7467,.0008;.3534,3.0182,-.0696;-1.3594,-4.0341,-.0623;-2.5684,-3.3971,.0313;-2.2947,-1.9946,.0655;-.9238,-1.7459,.0019;-.3553,-3.017,-.0705;4.0329,-1.3586,.0609;3.3949,-2.5674,-.0316;1.9923,-2.2927,-.0629;1.7444,-.9217,.0008;3.016,-.3537,.0706;-4.0374,1.356,.0695;-3.4014,2.5653,-.0233;-1.0183,3.2844,-.1064;1.0137,-3.2825,-.1101;3.2824,1.0158,.1087;-3.2845,-1.0169,.1137;1.1667,5.107,-.1112;3.5626,3.8419,.0593;-1.1661,-5.1061,-.112;-3.5629,-3.8431,.063;5.1051,-1.166,.1084;3.84,-3.5623,-.0643;-5.1092,1.1618,.1195;-3.8481,3.5594,-.0538;1.4549,-4.6994,-.2078;1.7168,-5.2692,-1.4644;1.635,-5.53,.9079;2.1321,-6.5922,-1.605;2.0493,-6.8584,.7906;2.2979,-7.3899,-.4738;1.5855,-4.6418,-2.351;2.3253,-7.0002,-2.6;2.1784,-7.4734,1.6834;2.6222,-8.4291,-.5672;-4.7018,-1.4576,.2073;-5.2697,-1.7366,1.4608;-5.5349,-1.6214,-.9095;-6.5924,-2.152,1.5977;-6.8632,-2.0354,-.795;-7.3921,-2.3008,.4663;-4.6408,-1.6186,2.3481;-6.9989,-2.3586,2.5907;-7.4803,-2.1516,-1.6882;-8.4316,-2.6251,.5572;-1.4582,4.6996,-.2001;-1.625,5.5241,.9056;-1.7292,5.2627,-1.4378;-2.0334,6.8347,.7909;-2.1383,6.567,-1.5701;-2.2896,7.3551,-.4518;-1.6082,4.6364,-2.3258;-2.1534,7.4516,1.6832;-2.3414,6.9752,-2.5625;-2.6136,8.394,-.5427;4.6994,1.4565,.2021;5.5273,1.631,-.9148;5.271,1.7235,1.4551;6.8545,2.0445,-.8014;6.5926,2.1381,1.5909;7.3873,2.2982,.459;4.6454,1.5967,2.3434;7.4682,2.1694,-1.6957;7.0025,2.3357,2.5843;8.4268,2.6224,.549;-4.8585,-1.2835,-2.6587;-1.2935,4.8475,2.654;4.8435,1.3074,-2.6636;1.319,-4.8495,2.6594;-.0017,.0006,.002;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0342656 0.0342069 0.0207782</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.026017" y3="0.268652" z3="-0.05901">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.897028" y3="-0.548327" z3="0.003083">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.419909" y3="-1.839231" z3="0.074698">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-1.817081" y3="3.846764" z3="-0.063382">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-0.503246" y3="4.225467" z3="0.027629">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="0.271965" y3="3.024034" z3="0.06118">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.544788" y3="1.89489" z3="0.000026">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.835952" y3="2.417598" z3="-0.070264">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="1.818276" y3="-3.853231" z3="-0.061966">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="0.504508" y3="-4.231658" z3="0.030902">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-0.270408" y3="-3.030053" z3="0.064671">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.546438" y3="-1.900982" z3="0.001491">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.837418" y3="-2.423946" z3="-0.070258">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.85095" y3="1.814761" z3="0.060439">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.229315" y3="0.50093" z3="-0.03133">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="3.027711" y3="-0.27406" z3="-0.062717">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.898722" y3="0.542747" z3="0.000412">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.421701" y3="1.833851" z3="0.069903">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.849225" y3="-1.819844" z3="0.067995">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.227602" y3="-0.506012" z3="-0.024371">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-3.006071" y3="1.661468" z3="-0.106847">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="3.007722" y3="-1.667436" z3="-0.109426">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="1.665328" y3="3.004233" z3="0.107409">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-1.663722" y3="-3.009834" z3="0.112297">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-2.699451" y3="4.485527" z3="-0.111947">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-0.095135" y3="5.23605" z3="0.057863">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="2.700391" y3="-4.492265" z3="-0.111144">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="0.096369" y3="-5.2422" z3="0.062333">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.489954" y3="2.696996" z3="0.107758">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.239768" y3="0.092632" z3="-0.063546">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.488247" y3="-2.701905" z3="0.117655">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.238126" y3="-0.097676" z3="-0.054878">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="4.306886" y3="-2.38448" z3="-0.205767">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.889877" y3="-2.614484" z3="-1.462514">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="5.01337" y3="-2.859593" z3="0.912064">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="6.104925" y3="-3.281377" z3="-1.603221">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="6.232073" y3="-3.531262" z3="0.792478">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="6.777726" y3="-3.742162" z3="-0.472154">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.360592" y3="-2.252932" z3="-2.349029">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="6.52623" y3="-3.442037" z3="-2.598407">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="6.752399" y3="-3.88589" z3="1.684425">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="7.731118" y3="-4.267397" z3="-0.566492">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-2.381839" y3="-4.308586" z3="0.204911">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-2.599077" y3="-4.902676" z3="1.458813">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-2.870142" y3="-5.004206" z3="-0.914031">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-3.266487" y3="-6.117936" z3="1.59585">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-3.542744" y3="-6.222821" z3="-0.798105">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-3.740899" y3="-6.779635" z3="0.463809">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-2.226956" y3="-4.382047" z3="2.346075">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-3.417071" y3="-6.547946" z3="2.588896">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-3.90783" y3="-6.734566" z3="-1.6908">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-4.2668" y3="-7.73295" z3="0.555233">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-4.305388" y3="2.379248" z3="-0.20006">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-5.004985" y3="2.864453" z3="0.921194">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.897924" y3="2.600485" z3="-1.458012">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-6.227105" y3="3.538377" z3="0.804488">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-6.116783" y3="3.269366" z3="-1.596721">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-6.783177" y3="3.740897" z3="-0.461898">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.37469" y3="2.231352" z3="-2.345117">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-6.740978" y3="3.900306" z3="1.697345">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-6.544469" y3="3.42267" z3="-2.590473">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-7.73676" y3="4.266468" z3="-0.553828">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="2.382646" y3="4.303512" z3="0.199921">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="2.86052" y3="5.005192" z3="-0.920022">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="2.610031" y3="4.891804" z3="1.454999">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="3.532444" y3="6.224427" z3="-0.803957">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="3.277059" y3="6.107459" z3="1.592169">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="3.740694" y3="6.775469" z3="0.459058">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="2.246295" y3="4.366356" z3="2.34291">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="3.889245" y3="6.74093" z3="-1.697271">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="3.435609" y3="6.532891" z3="2.585948">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="4.266005" y3="7.729108" z3="0.550554">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-2.615417" y3="-4.292734" z3="-2.664497">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-4.296108" y3="2.604717" z3="2.672478">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="2.592509" y3="4.300894" z3="-2.671439">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.316502" y3="-2.587917" z3="2.665752">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000882" y3="-0.00296" z3="0.001366">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.026,.2687,-.059;-1.897,-.5483,.0031;-2.4199,-1.8392,.0747;-1.8171,3.8468,-.0634;-.5032,4.2255,.0276;.272,3.024,.0612;-.5448,1.8949,0;-1.836,2.4176,-.0703;1.8183,-3.8532,-.062;.5045,-4.2317,.0309;-.2704,-3.0301,.0647;.5464,-1.901,.0015;1.8374,-2.4239,-.0703;3.851,1.8148,.0604;4.2293,.5009,-.0313;3.0277,-.2741,-.0627;1.8987,.5427,.0004;2.4217,1.8339,.0699;-3.8492,-1.8198,.068;-4.2276,-.506,-.0244;-3.0061,1.6615,-.1068;3.0077,-1.6674,-.1094;1.6653,3.0042,.1074;-1.6637,-3.0098,.1123;-2.6995,4.4855,-.1119;-.0951,5.236,.0579;2.7004,-4.4923,-.1111;.0964,-5.2422,.0623;4.49,2.697,.1078;5.2398,.0926,-.0635;-4.4882,-2.7019,.1177;-5.2381,-.0977,-.0549;4.3069,-2.3845,-.2058;4.8899,-2.6145,-1.4625;5.0134,-2.8596,.9121;6.1049,-3.2814,-1.6032;6.2321,-3.5313,.7925;6.7777,-3.7422,-.4722;4.3606,-2.2529,-2.349;6.5262,-3.442,-2.5984;6.7524,-3.8859,1.6844;7.7311,-4.2674,-.5665;-2.3818,-4.3086,.2049;-2.5991,-4.9027,1.4588;-2.8701,-5.0042,-.914;-3.2665,-6.1179,1.5958;-3.5427,-6.2228,-.7981;-3.7409,-6.7796,.4638;-2.227,-4.382,2.3461;-3.4171,-6.5479,2.5889;-3.9078,-6.7346,-1.6908;-4.2668,-7.7329,.5552;-4.3054,2.3792,-.2001;-5.005,2.8645,.9212;-4.8979,2.6005,-1.458;-6.2271,3.5384,.8045;-6.1168,3.2694,-1.5967;-6.7832,3.7409,-.4619;-4.3747,2.2314,-2.3451;-6.741,3.9003,1.6973;-6.5445,3.4227,-2.5905;-7.7368,4.2665,-.5538;2.3826,4.3035,.1999;2.8605,5.0052,-.92;2.61,4.8918,1.455;3.5324,6.2244,-.804;3.2771,6.1075,1.5922;3.7407,6.7755,.4591;2.2463,4.3664,2.3429;3.8892,6.7409,-1.6973;3.4356,6.5329,2.5859;4.266,7.7291,.5506;-2.6154,-4.2927,-2.6645;-4.2961,2.6047,2.6725;2.5925,4.3009,-2.6714;4.3165,-2.5879,2.6658;.0009,-.003,.0014;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0341662 0.0341163 0.0207404</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.229467" y3="2.070322" z3="-0.054803">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.838171" y3="0.733056" z3="0.0048">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-3.043307" y3="0.033733" z3="0.074862">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="0.927899" y3="4.15776" z3="-0.061429">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="2.196453" y3="3.648554" z3="0.026803">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.069207" y3="2.225672" z3="0.060199">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.731108" y3="1.835967" z3="0.001121">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="0.033325" y3="3.041622" z3="-0.067295">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-0.930225" y3="-4.155904" z3="-0.062198">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-2.199224" y3="-3.647501" z3="0.028407">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.073078" y3="-2.224579" z3="0.062804">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.735575" y3="-1.834278" z3="0.001714">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-0.037047" y3="-3.039454" z3="-0.068987">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.154268" y3="-0.927736" z3="0.06068">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="3.645514" y3="-2.196688" z3="-0.028908">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.222345" y3="-2.070394" z3="-0.060303">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.832428" y3="-0.73246" z3="0.001273">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="3.037898" y3="-0.034185" z3="0.069326">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.160493" y3="0.925759" z3="0.069813">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-3.653288" y3="2.195003" z3="-0.019681">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-1.358166" y3="3.160226" z3="-0.10182">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="1.35237" y3="-3.15836" z3="-0.106487">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.1569" y3="1.355284" z3="0.105296">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.161178" y3="-1.355143" z3="0.110055">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="0.625393" y3="5.203845" z3="-0.109037">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="3.140246" y3="4.194031" z3="0.055525">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-0.626927" y3="-5.201869" z3="-0.111068">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-3.142466" y3="-4.193744" z3="0.058215">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.200366" y3="-0.624566" z3="0.10731">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.191528" y3="-3.140065" z3="-0.059912">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.206215" y3="0.621403" z3="0.118843">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.200351" y3="3.137634" z3="-0.048268">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="1.940594" y3="-4.520096" z3="-0.19964">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="2.261875" y3="-5.061413" z3="-1.454998">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="2.20681" y3="-5.323641" z3="0.919797">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="2.814876" y3="-6.333139" z3="-1.592581">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="2.759364" y3="-6.599867" z3="0.802881">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="3.063386" y3="-7.105097" z3="-0.459333">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="2.065265" y3="-4.453461" z3="-2.342821">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="3.050745" y3="-6.720921" z3="-2.586373">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="2.952642" y3="-7.195285" z3="1.69691">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="3.49598" y3="-8.104218" z3="-0.549976">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.522094" y3="-1.944784" z3="0.198387">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.06176" y3="-2.286019" z3="1.448826">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.326339" y3="-2.192887" z3="-0.924438">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.33307" y3="-2.840935" z3="1.578444">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-6.602306" y3="-2.746778" z3="-0.815464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.106125" y3="-3.070854" z3="0.442071">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.452851" y3="-2.103734" z3="2.339064">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-6.720039" y3="-3.092681" z3="2.568644">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.198592" y3="-2.925631" z3="-1.711917">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.105236" y3="-3.504617" z3="0.526722">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-1.946506" y3="4.519595" z3="-0.190362">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-2.197549" y3="5.315895" z3="0.92028">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-2.278375" y3="5.054915" z3="-1.42522">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-2.743694" y3="6.574801" z3="0.810226">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-2.824729" y3="6.308577" z3="-1.551591">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-3.056679" y3="7.070477" z3="-0.429554">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-2.09282" y3="4.448365" z3="-2.315735">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-2.926913" y3="7.170975" z3="1.705406">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-3.072306" y3="6.697176" z3="-2.541582">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-3.489881" y3="8.069082" z3="-0.515279">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.518507" y3="1.943549" z3="0.193797">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.318825" y3="2.203398" z3="-0.927919">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.062112" y3="2.271029" z3="1.444991">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="6.594175" y3="2.755703" z3="-0.81712">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.333087" y3="2.824004" z3="1.576429">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.101749" y3="3.066032" z3="0.441216">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.456134" y3="2.07929" z3="2.335186">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.187594" y3="2.944071" z3="-1.713505">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="6.723244" y3="3.065095" z3="2.567992">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.101116" y3="3.498868" z3="0.527309">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.677682" y3="-1.777284" z3="-2.669526">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-1.790845" y3="4.66902" z3="2.665589">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.666557" y3="1.80668" z3="-2.675724">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="1.81974" y3="-4.676317" z3="2.671716">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.002584" y3="0.000876" z3="0.002358">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2295,2.0703,-.0548;-1.8382,.7331,.0048;-3.0433,.0337,.0749;.9279,4.1578,-.0614;2.1965,3.6486,.0268;2.0692,2.2257,.0602;.7311,1.836,.0011;.0333,3.0416,-.0673;-.9302,-4.1559,-.0622;-2.1992,-3.6475,.0284;-2.0731,-2.2246,.0628;-.7356,-1.8343,.0017;-.037,-3.0395,-.069;4.1543,-.9277,.0607;3.6455,-2.1967,-.0289;2.2223,-2.0704,-.0603;1.8324,-.7325,.0013;3.0379,-.0342,.0693;-4.1605,.9258,.0698;-3.6533,2.195,-.0197;-1.3582,3.1602,-.1018;1.3524,-3.1584,-.1065;3.1569,1.3553,.1053;-3.1612,-1.3551,.1101;.6254,5.2038,-.109;3.1402,4.194,.0555;-.6269,-5.2019,-.1111;-3.1425,-4.1937,.0582;5.2004,-.6246,.1073;4.1915,-3.1401,-.0599;-5.2062,.6214,.1188;-4.2004,3.1376,-.0483;1.9406,-4.5201,-.1996;2.2619,-5.0614,-1.455;2.2068,-5.3236,.9198;2.8149,-6.3331,-1.5926;2.7594,-6.5999,.8029;3.0634,-7.1051,-.4593;2.0653,-4.4535,-2.3428;3.0507,-6.7209,-2.5864;2.9526,-7.1953,1.6969;3.496,-8.1042,-.55;-4.5221,-1.9448,.1984;-5.0618,-2.286,1.4488;-5.3263,-2.1929,-.9244;-6.3331,-2.8409,1.5784;-6.6023,-2.7468,-.8155;-7.1061,-3.0709,.4421;-4.4529,-2.1037,2.3391;-6.72,-3.0927,2.5686;-7.1986,-2.9256,-1.7119;-8.1052,-3.5046,.5267;-1.9465,4.5196,-.1904;-2.1975,5.3159,.9203;-2.2784,5.0549,-1.4252;-2.7437,6.5748,.8102;-2.8247,6.3086,-1.5516;-3.0567,7.0705,-.4296;-2.0928,4.4484,-2.3157;-2.9269,7.171,1.7054;-3.0723,6.6972,-2.5416;-3.4899,8.0691,-.5153;4.5185,1.9435,.1938;5.3188,2.2034,-.9279;5.0621,2.271,1.445;6.5942,2.7557,-.8171;6.3331,2.824,1.5764;7.1017,3.066,.4412;4.4561,2.0793,2.3352;7.1876,2.9441,-1.7135;6.7232,3.0651,2.568;8.1011,3.4989,.5273;-4.6777,-1.7773,-2.6695;-1.7908,4.669,2.6656;4.6666,1.8067,-2.6757;1.8197,-4.6763,2.6717;-.0026,.0009,.0024;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0342747 0.0342287 0.0208182</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-1.416527" y3="2.690419" z3="-0.039443">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.489729" y3="1.298142" z3="0.000746">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.858955" y3="1.035321" z3="0.044963">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="2.245806" y3="3.619035" z3="-0.038055">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="3.277864" y3="2.72006" z3="0.02164">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.690159" y3="1.416652" z3="0.038541">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="1.297919" y3="1.489783" z3="-0.001577">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="1.03505" y3="2.859024" z3="-0.045597">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-2.246237" y3="-3.618633" z3="-0.03802">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-3.278077" y3="-2.719544" z3="0.021788">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.690369" y3="-1.416147" z3="0.038842">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-1.298128" y3="-1.489489" z3="-0.001457">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-1.03527" y3="-2.858626" z3="-0.045671">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.61878" y3="-2.245883" z3="0.037846">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="2.719706" y3="-3.277773" z3="-0.021883">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.416264" y3="-2.69013" z3="-0.039075">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.489532" y3="-1.297894" z3="0.000939">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.858694" y3="-1.03494" z3="0.045191">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.618937" y3="2.246117" z3="0.037745">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-2.719957" y3="3.278173" z3="-0.022134">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-0.23596" y3="3.431224" z3="-0.066774">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="0.235751" y3="-3.431017" z3="-0.066662">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.431013" y3="0.236077" z3="0.06608">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.431172" y3="-0.235717" z3="0.066442">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="2.303823" y3="4.707481" z3="-0.06561">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="4.348471" y3="2.925074" z3="0.044532">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-2.302857" y3="-4.707129" z3="-0.065655">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-4.34873" y3="-2.924465" z3="0.044711">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.707277" y3="-2.302449" z3="0.065641">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="2.924651" y3="-4.348423" z3="-0.044559">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.707371" y3="2.304154" z3="0.0657">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-2.924981" y3="4.348779" z3="-0.044768">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="0.337918" y3="-4.913406" z3="-0.133642">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="0.410705" y3="-5.552884" z3="-1.38193">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="0.365262" y3="-5.742238" z3="1.000507">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="0.505458" y3="-6.937762" z3="-1.499859">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="0.45877" y3="-7.132539" z3="0.903457">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="0.529171" y3="-7.730247" z3="-0.353029">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="0.390857" y3="-4.929457" z3="-2.280652">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="0.559775" y3="-7.397884" z3="-2.489298">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="0.47645" y3="-7.74439" z3="1.807592">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="0.602386" y3="-8.817691" z3="-0.429197">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.913519" y3="-0.338033" z3="0.133508">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.551844" y3="-0.412739" z3="1.382501">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.743272" y3="-0.363974" z3="-0.999658">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.936554" y3="-0.508014" z3="1.501273">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-7.133528" y3="-0.458145" z3="-0.901859">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.730112" y3="-0.529892" z3="0.355056">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.927197" y3="-0.39423" z3="2.280374">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-7.395944" y3="-0.564252" z3="2.490967">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.745917" y3="-0.475432" z3="-1.805625">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.817476" y3="-0.603343" z3="0.432122">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-0.338167" y3="4.913633" z3="-0.132851">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-0.363548" y3="5.741856" z3="1.001829">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-0.413242" y3="5.553874" z3="-1.380608">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-0.457514" y3="7.132077" z3="0.905863">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-0.508444" y3="6.938797" z3="-1.497612">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-0.529743" y3="7.73051" z3="-0.350327">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-0.395198" y3="4.931127" z3="-2.279844">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-0.474284" y3="7.743911" z3="1.810003">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-0.565047" y3="7.399556" z3="-2.486628">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-0.603038" y3="8.818086" z3="-0.424575">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.913399" y3="0.338345" z3="0.132567">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.741926" y3="0.364517" z3="-1.00186">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.553372" y3="0.412401" z3="1.380585">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="7.132181" y3="0.458326" z3="-0.905459">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.938365" y3="0.506593" z3="1.49807">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.730328" y3="0.53028" z3="0.350941">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.930368" y3="0.393409" z3="2.279628">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.744282" y3="0.475161" z3="-1.809423">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="7.398954" y3="0.561722" z3="2.487251">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.817862" y3="0.603795" z3="0.42554">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.98081" y3="-0.270158" z3="-2.745795">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-0.268794" y3="4.977073" z3="2.746598">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.977651" y3="0.270645" z3="-2.746903">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="0.273064" y3="-4.978699" z3="2.745882">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.00012" y3="0.000107" z3="-0.000404">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.4165,2.6904,-.0394;-1.4897,1.2981,.0007;-2.859,1.0353,.045;2.2458,3.619,-.0381;3.2779,2.7201,.0216;2.6902,1.4167,.0385;1.2979,1.4898,-.0016;1.0351,2.859,-.0456;-2.2462,-3.6186,-.038;-3.2781,-2.7195,.0218;-2.6904,-1.4161,.0388;-1.2981,-1.4895,-.0015;-1.0353,-2.8586,-.0457;3.6188,-2.2459,.0378;2.7197,-3.2778,-.0219;1.4163,-2.6901,-.0391;1.4895,-1.2979,.0009;2.8587,-1.0349,.0452;-3.6189,2.2461,.0377;-2.72,3.2782,-.0221;-.236,3.4312,-.0668;.2358,-3.431,-.0667;3.431,.2361,.0661;-3.4312,-.2357,.0664;2.3038,4.7075,-.0656;4.3485,2.9251,.0445;-2.3029,-4.7071,-.0657;-4.3487,-2.9245,.0447;4.7073,-2.3024,.0656;2.9247,-4.3484,-.0446;-4.7074,2.3042,.0657;-2.925,4.3488,-.0448;.3379,-4.9134,-.1336;.4107,-5.5529,-1.3819;.3653,-5.7422,1.0005;.5055,-6.9378,-1.4999;.4588,-7.1325,.9035;.5292,-7.7302,-.353;.3909,-4.9295,-2.2807;.5598,-7.3979,-2.4893;.4764,-7.7444,1.8076;.6024,-8.8177,-.4292;-4.9135,-.338,.1335;-5.5518,-.4127,1.3825;-5.7433,-.364,-.9997;-6.9366,-.508,1.5013;-7.1335,-.4581,-.9019;-7.7301,-.5299,.3551;-4.9272,-.3942,2.2804;-7.3959,-.5643,2.491;-7.7459,-.4754,-1.8056;-8.8175,-.6033,.4321;-.3382,4.9136,-.1329;-.3635,5.7419,1.0018;-.4132,5.5539,-1.3806;-.4575,7.1321,.9059;-.5084,6.9388,-1.4976;-.5297,7.7305,-.3503;-.3952,4.9311,-2.2798;-.4743,7.7439,1.81;-.565,7.3996,-2.4866;-.603,8.8181,-.4246;4.9134,.3383,.1326;5.7419,.3645,-1.0019;5.5534,.4124,1.3806;7.1322,.4583,-.9055;6.9384,.5066,1.4981;7.7303,.5303,.3509;4.9304,.3934,2.2796;7.7443,.4752,-1.8094;7.399,.5617,2.4873;8.8179,.6038,.4255;-4.9808,-.2702,-2.7458;-.2688,4.9771,2.7466;4.9777,.2706,-2.7469;.2731,-4.9787,2.7459;-.0001,.0001,-.0004;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339996 0.0339953 0.0208311</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.035012" y3="-0.120541" z3="0.019125">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.809727" y3="-0.789382" z3="0.02002">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.16327" y3="-2.137375" z3="0.050042">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-2.292246" y3="3.586492" z3="-0.071398">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-1.032869" y3="4.128132" z3="-0.059805">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-0.111957" y3="3.036219" z3="-0.001155">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.781568" y3="1.811173" z3="-0.001709">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-2.129353" y3="2.165169" z3="-0.030966">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="2.301994" y3="-3.592581" z3="-0.082048">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="1.042874" y3="-4.1354" z3="-0.065836">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="0.122763" y3="-3.043173" z3="-0.005014">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.790883" y3="-1.81734" z3="-0.006904">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="2.138905" y3="-2.172151" z3="-0.040778">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.594747" y3="2.293325" z3="0.07517">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.137438" y3="1.034397" z3="0.059996">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="3.044491" y3="0.114359" z3="0.005364">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.818806" y3="0.78308" z3="0.012115">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.174257" y3="2.130666" z3="0.040623">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.584536" y3="-2.30086" z3="0.086969">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.126381" y3="-1.041641" z3="0.074983">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-3.194045" y3="1.265463" z3="-0.008564">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="3.202793" y3="-1.271828" z3="-0.022375">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="1.274314" y3="3.194862" z3="0.022222">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-1.26382" y3="-3.201508" z3="0.023877">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-3.250647" y3="4.105083" z3="-0.104638">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-0.758341" y3="5.182458" z3="-0.096367">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="3.255797" y3="-4.119655" z3="-0.118542">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="0.768027" y3="-5.189575" z3="-0.100762">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.122112" y3="3.247134" z3="0.106468">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.191714" y3="0.759499" z3="0.090502">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.10296" y3="-3.259457" z3="0.116848">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.180937" y3="-0.7673" z3="0.107751">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="4.583824" y3="-1.817032" z3="-0.072892">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="5.211106" y3="-2.006948" z3="-1.315204">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="5.331752" y3="-2.142595" z3="1.068977">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="6.505548" y3="-2.510966" z3="-1.420741">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="6.633544" y3="-2.638374" z3="0.984004">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="7.218336" y3="-2.830904" z3="-0.265717">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.650396" y3="-1.747605" z3="-2.217862">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="6.96103" y3="-2.65104" z3="-2.404067">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="7.188748" y3="-2.86995" z3="1.893782">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="8.237356" y3="-3.221105" z3="-0.325834">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-1.811399" y3="-4.581914" z3="0.068754">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-2.001474" y3="-5.222517" z3="1.303221">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-2.144105" y3="-5.315865" z3="-1.082252">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-2.511241" y3="-6.51579" z3="1.397481">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-2.647856" y3="-6.615009" z3="-1.00813">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-2.833012" y3="-7.215601" z3="0.235512">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-1.740751" y3="-4.67503" z3="2.213744">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-2.654115" y3="-6.979506" z3="2.376411">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-2.892635" y3="-7.157145" z3="-1.922382">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-3.2272" y3="-8.233638" z3="0.285614">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-4.575029" y3="1.810955" z3="-0.063446">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-5.328102" y3="2.136334" z3="1.075954">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-5.196307" y3="2.00306" z3="-1.30904">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-6.628731" y3="2.637596" z3="0.984232">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-6.48966" y3="2.511484" z3="-1.420363">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-7.21009" y3="2.828032" z3="-0.268001">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.629601" y3="1.745404" z3="-2.208431">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-7.182174" y3="2.873251" z3="1.894173">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-6.937123" y3="2.657274" z3="-2.406561">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-8.22776" y3="3.219514" z3="-0.341173">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="1.820472" y3="4.575784" z3="0.069391">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="2.138091" y3="5.324319" z3="-1.074565">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="2.017477" y3="5.202091" z3="1.310616">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="2.636488" y3="6.625463" z3="-0.991129">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="2.514436" y3="6.49944" z3="1.412991">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="2.839808" y3="7.208346" z3="0.257034">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="1.762706" y3="4.640257" z3="2.213826">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="2.860972" y3="7.177577" z3="-1.904662">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="2.657801" y3="6.953784" z3="2.396343">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="3.232199" y3="8.226108" z3="0.323729">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-1.882765" y3="-4.556987" z3="-2.811664">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-4.600488" y3="1.858557" z3="2.818783">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="1.848626" y3="4.589657" z3="-2.812529">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.594684" y3="-1.8638" z3="2.808159">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.004417" y3="-0.00298" z3="0.007251">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.035,-.1205,.0191;-1.8097,-.7894,.02;-2.1633,-2.1374,.05;-2.2922,3.5865,-.0714;-1.0329,4.1281,-.0598;-.112,3.0362,-.0012;-.7816,1.8112,-.0017;-2.1294,2.1652,-.031;2.302,-3.5926,-.082;1.0429,-4.1354,-.0658;.1228,-3.0432,-.005;.7909,-1.8173,-.0069;2.1389,-2.1722,-.0408;3.5947,2.2933,.0752;4.1374,1.0344,.06;3.0445,.1144,.0054;1.8188,.7831,.0121;2.1743,2.1307,.0406;-3.5845,-2.3009,.087;-4.1264,-1.0416,.075;-3.194,1.2655,-.0086;3.2028,-1.2718,-.0224;1.2743,3.1949,.0222;-1.2638,-3.2015,.0239;-3.2506,4.1051,-.1046;-.7583,5.1825,-.0964;3.2558,-4.1197,-.1185;.768,-5.1896,-.1008;4.1221,3.2471,.1065;5.1917,.7595,.0905;-4.103,-3.2595,.1168;-5.1809,-.7673,.1078;4.5838,-1.817,-.0729;5.2111,-2.0069,-1.3152;5.3318,-2.1426,1.069;6.5055,-2.511,-1.4207;6.6335,-2.6384,.984;7.2183,-2.8309,-.2657;4.6504,-1.7476,-2.2179;6.961,-2.651,-2.4041;7.1887,-2.8699,1.8938;8.2374,-3.2211,-.3258;-1.8114,-4.5819,.0688;-2.0015,-5.2225,1.3032;-2.1441,-5.3159,-1.0823;-2.5112,-6.5158,1.3975;-2.6479,-6.615,-1.0081;-2.833,-7.2156,.2355;-1.7408,-4.675,2.2137;-2.6541,-6.9795,2.3764;-2.8926,-7.1571,-1.9224;-3.2272,-8.2336,.2856;-4.575,1.811,-.0634;-5.3281,2.1363,1.076;-5.1963,2.0031,-1.309;-6.6287,2.6376,.9842;-6.4897,2.5115,-1.4204;-7.2101,2.828,-.268;-4.6296,1.7454,-2.2084;-7.1822,2.8733,1.8942;-6.9371,2.6573,-2.4066;-8.2278,3.2195,-.3412;1.8205,4.5758,.0694;2.1381,5.3243,-1.0746;2.0175,5.2021,1.3106;2.6365,6.6255,-.9911;2.5144,6.4994,1.413;2.8398,7.2083,.257;1.7627,4.6403,2.2138;2.861,7.1776,-1.9047;2.6578,6.9538,2.3963;3.2322,8.2261,.3237;-1.8828,-4.557,-2.8117;-4.6005,1.8586,2.8188;1.8486,4.5897,-2.8125;4.5947,-1.8638,2.8082;.0044,-.003,.0073;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339297 0.0338342 0.0209259</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.746519" y3="1.298042" z3="-0.015161">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.969467" y3="0.140856" z3="0.005403">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.906665" y3="-0.892006" z3="0.042094">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.377681" y3="4.241925" z3="-0.046082">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.988515" y3="4.142378" z3="-0.008394">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="1.300148" y3="2.74752" z3="0.018118">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.143031" y3="1.970187" z3="-0.004304">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-0.88983" y3="2.907333" z3="-0.039599">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.381472" y3="-4.243071" z3="-0.050694">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.985115" y3="-4.144015" z3="-0.012333">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-1.297117" y3="-2.749141" z3="0.01704">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.140115" y3="-1.971924" z3="-0.005468">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="0.893136" y3="-2.90882" z3="-0.042266">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.243897" y3="0.378941" z3="0.044854">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.144496" y3="-0.987567" z3="0.00612">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.74979" y3="-1.29942" z3="-0.020092">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.972586" y3="-0.142365" z3="0.002729">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.909595" y3="0.890822" z3="0.038952">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.241072" y3="-0.379357" z3="0.053481">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.141455" y3="0.986795" z3="0.015465">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.249616" y3="2.600289" z3="-0.041634">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.25264" y3="-2.601462" z3="-0.046447">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.602262" y3="2.250602" z3="0.043895">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.59962" y3="-2.25219" z3="0.043598">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-0.987741" y3="5.145176" z3="-0.071248">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="1.720556" y3="4.950768" z3="-0.008935">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="0.989122" y3="-5.147927" z3="-0.078182">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-1.716633" y3="-4.952753" z3="-0.0146">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.148902" y3="0.986415" z3="0.070627">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.953184" y3="-1.719219" z3="0.006118">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.144329" y3="-0.989264" z3="0.082259">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.949618" y3="1.719061" z3="0.019224">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.226206" y3="-3.725268" z3="-0.0950">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="3.684708" y3="-4.202595" z3="-1.333837">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="3.733417" y3="-4.361829" z3="1.050261">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="4.596374" y3="-5.251623" z3="-1.43175">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="4.645866" y3="-5.41634" z3="0.973888">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="5.078826" y3="-5.860677" z3="-0.273686">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.304583" y3="-3.724071" z3="-2.241126">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="4.9306" y3="-5.594225" z3="-2.413892">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="5.016042" y3="-5.887733" z3="1.886872">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="5.791375" y3="-6.686689" z3="-0.333341">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.72252" y3="-3.226941" z3="0.09213">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-4.190851" y3="-3.696482" z3="1.329465">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.365542" y3="-3.725776" z3="-1.053842">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-5.239521" y3="-4.608828" z3="1.426863">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-5.419309" y3="-4.638776" z3="-0.977487">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-5.856785" y3="-5.080776" z3="0.269148">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.707039" y3="-3.324167" z3="2.237236">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-5.575793" y3="-4.950285" z3="2.408658">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-5.896146" y3="-5.00267" z3="-1.890191">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-6.682077" y3="-5.794237" z3="0.327821">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.223579" y3="3.723885" z3="-0.090064">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-3.733707" y3="4.358139" z3="1.054766">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-3.679425" y3="4.202824" z3="-1.329323">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-4.646844" y3="5.412496" z3="0.978126">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-4.59152" y3="5.251403" z3="-1.42742">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-5.076801" y3="5.858775" z3="-0.269274">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.29677" y3="3.725817" z3="-2.236334">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-5.01823" y3="5.881781" z3="1.891774">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-4.92358" y3="5.595729" z3="-2.40968">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-5.789986" y3="6.684059" z3="-0.331021">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.725898" y3="3.22438" z3="0.09374">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.360836" y3="3.734724" z3="-1.050489">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="4.204672" y3="3.67914" z3="1.333165">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="5.415165" y3="4.647358" z3="-0.972871">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="5.253734" y3="4.590188" z3="1.432092">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="5.860354" y3="5.07714" z3="0.274639">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.727412" y3="3.296048" z3="2.239844">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="5.884603" y3="5.019555" z3="-1.886087">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="5.597664" y3="4.92176" z3="2.414651">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="6.686161" y3="5.789671" z3="0.33705">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.808367" y3="-3.158716" z3="-2.787155">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.17578" y3="3.793119" z3="2.788314">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.797242" y3="3.17668" z3="-2.78438">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.17059" y3="-3.800011" z3="2.783453">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.001578" y3="-0.000779" z3="-0.00112">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7465,1.298,-.0152;-1.9695,.1409,.0054;-2.9067,-.892,.0421;-.3777,4.2419,-.0461;.9885,4.1424,-.0084;1.3001,2.7475,.0181;.143,1.9702,-.0043;-.8898,2.9073,-.0396;.3815,-4.2431,-.0507;-.9851,-4.144,-.0123;-1.2971,-2.7491,.017;-.1401,-1.9719,-.0055;.8931,-2.9088,-.0423;4.2439,.3789,.0449;4.1445,-.9876,.0061;2.7498,-1.2994,-.0201;1.9726,-.1424,.0027;2.9096,.8908,.039;-4.2411,-.3794,.0535;-4.1415,.9868,.0155;-2.2496,2.6003,-.0416;2.2526,-2.6015,-.0464;2.6023,2.2506,.0439;-2.5996,-2.2522,.0436;-.9877,5.1452,-.0712;1.7206,4.9508,-.0089;.9891,-5.1479,-.0782;-1.7166,-4.9528,-.0146;5.1489,.9864,.0706;4.9532,-1.7192,.0061;-5.1443,-.9893,.0823;-4.9496,1.7191,.0192;3.2262,-3.7253,-.095;3.6847,-4.2026,-1.3338;3.7334,-4.3618,1.0503;4.5964,-5.2516,-1.4318;4.6459,-5.4163,.9739;5.0788,-5.8607,-.2737;3.3046,-3.7241,-2.2411;4.9306,-5.5942,-2.4139;5.016,-5.8877,1.8869;5.7914,-6.6867,-.3333;-3.7225,-3.2269,.0921;-4.1909,-3.6965,1.3295;-4.3655,-3.7258,-1.0538;-5.2395,-4.6088,1.4269;-5.4193,-4.6388,-.9775;-5.8568,-5.0808,.2691;-3.707,-3.3242,2.2372;-5.5758,-4.9503,2.4087;-5.8961,-5.0027,-1.8902;-6.6821,-5.7942,.3278;-3.2236,3.7239,-.0901;-3.7337,4.3581,1.0548;-3.6794,4.2028,-1.3293;-4.6468,5.4125,.9781;-4.5915,5.2514,-1.4274;-5.0768,5.8588,-.2693;-3.2968,3.7258,-2.2363;-5.0182,5.8818,1.8918;-4.9236,5.5957,-2.4097;-5.79,6.6841,-.331;3.7259,3.2244,.0937;4.3608,3.7347,-1.0505;4.2047,3.6791,1.3332;5.4152,4.6474,-.9729;5.2537,4.5902,1.4321;5.8604,5.0771,.2746;3.7274,3.296,2.2398;5.8846,5.0196,-1.8861;5.5977,4.9218,2.4147;6.6862,5.7897,.3371;-3.8084,-3.1587,-2.7872;-3.1758,3.7931,2.7883;3.7972,3.1767,-2.7844;3.1706,-3.8,2.7835;.0016,-.0008,-.0011;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339876 0.0339650 0.0209184</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.019522" y3="-0.359363" z3="-0.025701">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.746106" y3="-0.927353" z3="0.006627">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-1.991365" y3="-2.29949" z3="0.046226">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-2.572909" y3="3.393202" z3="-0.044446">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-1.363208" y3="4.034699" z3="0.005212">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-0.357547" y3="3.018152" z3="0.027812">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.925656" y3="1.744778" z3="-0.003457">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-2.297865" y3="1.990104" z3="-0.0430">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="2.573173" y3="-3.396375" z3="-0.042334">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="1.363576" y3="-4.03773" z3="0.007892">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="0.358123" y3="-3.021047" z3="0.029399">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.926042" y3="-1.747665" z3="-0.002527">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="2.29804" y3="-1.993136" z3="-0.042437">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.395669" y3="2.570659" z3="0.044032">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.036703" y3="1.360893" z3="-0.005788">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="3.019743" y3="0.355845" z3="-0.026906">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.74644" y3="0.924021" z3="0.005583">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="1.992263" y3="2.296028" z3="0.044244">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.394379" y3="-2.574824" z3="0.045473">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.035972" y3="-1.365117" z3="-0.00457">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-3.287605" y3="1.008783" z3="-0.054104">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="3.287706" y3="-1.011975" z3="-0.054538">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="1.010909" y3="3.286194" z3="0.055249">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-1.009899" y3="-3.289114" z3="0.057639">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-3.567836" y3="3.838202" z3="-0.072643">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-1.170263" y3="5.107745" z3="0.0184">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="3.56865" y3="-3.840203" z3="-0.069814">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="1.170332" y3="-5.110722" z3="0.022394">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="3.839819" y3="3.565972" z3="0.071077">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.109666" y3="1.16729" z3="-0.020244">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-3.839251" y3="-3.569846" z3="0.072403">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.109027" y3="-1.172299" z3="-0.019459">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="4.708078" y3="-1.447596" z3="-0.114949">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="5.333999" y3="-1.612172" z3="-1.361387">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="5.489133" y3="-1.714751" z3="1.021599">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="6.661268" y3="-2.020338" z3="-1.475325">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="6.822164" y3="-2.120837" z3="0.928679">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="7.408123" y3="-2.275344" z3="-0.325939">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.746537" y3="-1.410179" z3="-2.261789">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="7.112414" y3="-2.138538" z3="-2.46339">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="7.398483" y3="-2.316338" z3="1.834855">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="8.450786" y3="-2.593914" z3="-0.398402">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-1.446103" y3="-4.709326" z3="0.114736">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-1.609606" y3="-5.340034" z3="1.358936">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-1.716226" y3="-5.484969" z3="-1.024318">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-2.0183" y3="-6.667324" z3="1.467812">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-2.123239" y3="-6.817938" z3="-0.936714">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-2.274858" y3="-7.409228" z3="0.315656">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-1.405878" y3="-4.756238" z3="2.261301">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-2.135393" y3="-7.122869" z3="2.454001">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-2.321545" y3="-7.389871" z3="-1.845024">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-2.594259" y3="-8.451874" z3="0.384513">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-4.708009" y3="1.444646" z3="-0.113002">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-5.486234" y3="1.716186" z3="1.024566">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-5.336682" y3="1.605172" z3="-1.358369">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-6.819248" y3="2.122954" z3="0.933256">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-6.664234" y3="2.01396" z3="-1.470845">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-7.40837" y3="2.272971" z3="-0.320656">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.751389" y3="1.39986" z3="-2.259439">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-7.39374" y3="2.322073" z3="1.839787">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-7.117367" y3="2.129133" z3="-2.45836">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-8.451003" y3="2.592101" z3="-0.391209">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="1.446763" y3="4.706618" z3="0.112977">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="1.715333" y3="5.484747" z3="-1.024875">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="1.609297" y3="5.335355" z3="1.357734">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="2.121298" y3="6.817484" z3="-0.934467">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="2.016427" y3="6.66278" z3="1.469182">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="2.274407" y3="7.406211" z3="0.318805">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="1.405805" y3="4.750132" z3="2.259247">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="2.318098" y3="7.392063" z3="-1.841442">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="2.13294" y3="7.11616" z3="2.456408">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="2.592948" y3="8.449051" z3="0.388683">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-1.536033" y3="-4.723089" z3="-2.763672">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-4.731299" y3="1.534103" z3="2.766938">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="1.528937" y3="4.729945" z3="-2.766873">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.738324" y3="-1.526281" z3="2.764967">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000118" y3="-0.001569" z3="0.002011">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.0195,-.3594,-.0257;-1.7461,-.9274,.0066;-1.9914,-2.2995,.0462;-2.5729,3.3932,-.0444;-1.3632,4.0347,.0052;-.3575,3.0182,.0278;-.9257,1.7448,-.0035;-2.2979,1.9901,-.043;2.5732,-3.3964,-.0423;1.3636,-4.0377,.0079;.3581,-3.021,.0294;.926,-1.7477,-.0025;2.298,-1.9931,-.0424;3.3957,2.5707,.044;4.0367,1.3609,-.0058;3.0197,.3558,-.0269;1.7464,.924,.0056;1.9923,2.296,.0442;-3.3944,-2.5748,.0455;-4.036,-1.3651,-.0046;-3.2876,1.0088,-.0541;3.2877,-1.012,-.0545;1.0109,3.2862,.0552;-1.0099,-3.2891,.0576;-3.5678,3.8382,-.0726;-1.1703,5.1077,.0184;3.5686,-3.8402,-.0698;1.1703,-5.1107,.0224;3.8398,3.566,.0711;5.1097,1.1673,-.0202;-3.8393,-3.5698,.0724;-5.109,-1.1723,-.0195;4.7081,-1.4476,-.1149;5.334,-1.6122,-1.3614;5.4891,-1.7148,1.0216;6.6613,-2.0203,-1.4753;6.8222,-2.1208,.9287;7.4081,-2.2753,-.3259;4.7465,-1.4102,-2.2618;7.1124,-2.1385,-2.4634;7.3985,-2.3163,1.8349;8.4508,-2.5939,-.3984;-1.4461,-4.7093,.1147;-1.6096,-5.34,1.3589;-1.7162,-5.485,-1.0243;-2.0183,-6.6673,1.4678;-2.1232,-6.8179,-.9367;-2.2749,-7.4092,.3157;-1.4059,-4.7562,2.2613;-2.1354,-7.1229,2.454;-2.3215,-7.3899,-1.845;-2.5943,-8.4519,.3845;-4.708,1.4446,-.113;-5.4862,1.7162,1.0246;-5.3367,1.6052,-1.3584;-6.8192,2.123,.9333;-6.6642,2.014,-1.4708;-7.4084,2.273,-.3207;-4.7514,1.3999,-2.2594;-7.3937,2.3221,1.8398;-7.1174,2.1291,-2.4584;-8.451,2.5921,-.3912;1.4468,4.7066,.113;1.7153,5.4847,-1.0249;1.6093,5.3354,1.3577;2.1213,6.8175,-.9345;2.0164,6.6628,1.4692;2.2744,7.4062,.3188;1.4058,4.7501,2.2592;2.3181,7.3921,-1.8414;2.1329,7.1162,2.4564;2.5929,8.4491,.3887;-1.536,-4.7231,-2.7637;-4.7313,1.5341,2.7669;1.5289,4.7299,-2.7669;4.7383,-1.5263,2.765;.0001,-.0016,.002;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339927 0.0339596 0.0208657</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.039604" y3="-0.045746" z3="-0.022572">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.831719" y3="-0.742063" z3="0.006265">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.217387" y3="-2.081778" z3="0.045001">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-2.208961" y3="3.640751" z3="-0.044932">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-0.93929" y3="4.153883" z3="0.001174">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-0.044148" y3="3.039048" z3="0.024933">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.740489" y3="1.83114" z3="-0.003711">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-2.080244" y3="2.216848" z3="-0.041992">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="2.210071" y3="-3.642802" z3="-0.044819">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="0.940445" y3="-4.156028" z3="0.00189">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="0.045358" y3="-3.041152" z3="0.025731">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.741549" y3="-1.833269" z3="-0.003403">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="2.081216" y3="-2.218944" z3="-0.042391">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.642672" y3="2.2078" z3="0.044271">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.155556" y3="0.938055" z3="-0.002261">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="3.040546" y3="0.043332" z3="-0.024889">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.832733" y3="0.739714" z3="0.004733">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.218694" y3="2.079358" z3="0.042671">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.641278" y3="-2.210544" z3="0.047849">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.154458" y3="-0.940866" z3="0.001375">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-3.165822" y3="1.342591" z3="-0.050406">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="3.166612" y3="-1.344747" z3="-0.052144">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="1.34437" y3="3.165193" z3="0.051878">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-1.342966" y3="-3.167391" z3="0.053476">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-3.153267" y3="4.185026" z3="-0.072236">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-0.637192" y3="5.201569" z3="0.010289">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="3.15441" y3="-4.187039" z3="-0.072301">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="0.638327" y3="-5.203689" z3="0.011418">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.187183" y3="3.151975" z3="0.070938">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.203168" y3="0.635647" z3="-0.012431">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.185496" y3="-3.154881" z3="0.075336">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.202144" y3="-0.638766" z3="-0.007984">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="4.534877" y3="-1.924534" z3="-0.109041">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="5.145335" y3="-2.152248" z3="-1.353248">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="5.280218" y3="-2.271299" z3="1.030107">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="6.424209" y3="-2.694253" z3="-1.462442">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="6.564201" y3="-2.813623" z3="0.942098">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="7.136316" y3="-3.025949" z3="-0.31046">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.585208" y3="-1.890585" z3="-2.255707">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="6.865052" y3="-2.857213" z3="-2.448774">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="7.113422" y3="-3.069338" z3="1.850316">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="8.140399" y3="-3.451268" z3="-0.37912">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-1.922754" y3="-4.535694" z3="0.108036">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-2.146221" y3="-5.151347" z3="1.350241">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-2.274013" y3="-5.275642" z3="-1.033092">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-2.688405" y3="-6.430325" z3="1.455725">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-2.816706" y3="-6.559555" z3="-0.948832">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-3.024385" y3="-7.137122" z3="0.301876">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-1.881185" y3="-4.595304" z3="2.254234">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-2.848277" y3="-6.875425" z3="2.440644">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-3.076333" y3="-7.104535" z3="-1.858476">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-3.449966" y3="-8.141279" z3="0.367705">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-4.534167" y3="1.922445" z3="-0.106201">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-5.27768" y3="2.271081" z3="1.03353">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-5.146344" y3="2.148302" z3="-1.349769">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-6.561756" y3="2.813757" z3="0.94657">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-6.425421" y3="2.690594" z3="-1.457982">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-7.135863" y3="3.024082" z3="-0.305422">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.587505" y3="1.885204" z3="-2.25261">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-7.10948" y3="3.071156" z3="1.855225">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-6.867521" y3="2.852326" z3="-2.443951">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-8.139947" y3="3.449519" z3="-0.373363">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="1.924253" y3="4.533506" z3="0.107269">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="2.270955" y3="5.277311" z3="-1.032482">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="2.15162" y3="5.14527" z3="1.350455">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="2.813106" y3="6.561113" z3="-0.945868">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="2.693006" y3="6.424158" z3="1.458191">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="3.0253" y3="7.134528" z3="0.305708">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="1.889793" y3="4.586199" z3="2.253507">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="3.06882" y3="7.1093" z3="-1.854707">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="2.855652" y3="6.866149" z3="2.444044">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="3.450564" y3="8.138692" z3="0.373369">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-2.01844" y3="-4.531851" z3="-2.770669">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-4.540292" y3="2.011402" z3="2.773304">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="2.008661" y3="4.540487" z3="-2.772093">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.545292" y3="-2.008946" z3="2.770501">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000488" y3="-0.001107" z3="0.001081">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.0396,-.0457,-.0226;-1.8317,-.7421,.0063;-2.2174,-2.0818,.045;-2.209,3.6408,-.0449;-.9393,4.1539,.0012;-.0441,3.039,.0249;-.7405,1.8311,-.0037;-2.0802,2.2168,-.042;2.2101,-3.6428,-.0448;.9404,-4.156,.0019;.0454,-3.0412,.0257;.7415,-1.8333,-.0034;2.0812,-2.2189,-.0424;3.6427,2.2078,.0443;4.1556,.9381,-.0023;3.0405,.0433,-.0249;1.8327,.7397,.0047;2.2187,2.0794,.0427;-3.6413,-2.2105,.0478;-4.1545,-.9409,.0014;-3.1658,1.3426,-.0504;3.1666,-1.3447,-.0521;1.3444,3.1652,.0519;-1.343,-3.1674,.0535;-3.1533,4.185,-.0722;-.6372,5.2016,.0103;3.1544,-4.187,-.0723;.6383,-5.2037,.0114;4.1872,3.152,.0709;5.2032,.6356,-.0124;-4.1855,-3.1549,.0753;-5.2021,-.6388,-.008;4.5349,-1.9245,-.109;5.1453,-2.1522,-1.3532;5.2802,-2.2713,1.0301;6.4242,-2.6943,-1.4624;6.5642,-2.8136,.9421;7.1363,-3.0259,-.3105;4.5852,-1.8906,-2.2557;6.8651,-2.8572,-2.4488;7.1134,-3.0693,1.8503;8.1404,-3.4513,-.3791;-1.9228,-4.5357,.108;-2.1462,-5.1513,1.3502;-2.274,-5.2756,-1.0331;-2.6884,-6.4303,1.4557;-2.8167,-6.5596,-.9488;-3.0244,-7.1371,.3019;-1.8812,-4.5953,2.2542;-2.8483,-6.8754,2.4406;-3.0763,-7.1045,-1.8585;-3.45,-8.1413,.3677;-4.5342,1.9224,-.1062;-5.2777,2.2711,1.0335;-5.1463,2.1483,-1.3498;-6.5618,2.8138,.9466;-6.4254,2.6906,-1.458;-7.1359,3.0241,-.3054;-4.5875,1.8852,-2.2526;-7.1095,3.0712,1.8552;-6.8675,2.8523,-2.444;-8.1399,3.4495,-.3734;1.9243,4.5335,.1073;2.271,5.2773,-1.0325;2.1516,5.1453,1.3505;2.8131,6.5611,-.9459;2.693,6.4242,1.4582;3.0253,7.1345,.3057;1.8898,4.5862,2.2535;3.0688,7.1093,-1.8547;2.8557,6.8661,2.444;3.4506,8.1387,.3734;-2.0184,-4.5319,-2.7707;-4.5403,2.0114,2.7733;2.0087,4.5405,-2.7721;4.5453,-2.0089,2.7705;.0005,-.0011,.0011;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339896 0.0339627 0.0208812</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-1.257862" y3="2.764029" z3="0.033433">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.40885" y3="1.377171" z3="0.004475">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.791842" y3="1.193261" z3="0.011721">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="2.446873" y3="3.484016" z3="-0.036281">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="3.426666" y3="2.525618" z3="-0.049327">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.767017" y3="1.259364" z3="-0.031523">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="1.379882" y3="1.409626" z3="-0.005954">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="1.195956" y3="2.792331" z3="-0.009954">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-2.441017" y3="-3.487256" z3="-0.042129">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-3.422647" y3="-2.529216" z3="-0.055176">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.764341" y3="-1.26193" z3="-0.030816">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-1.377218" y3="-1.412493" z3="-0.006225">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-1.191715" y3="-2.795792" z3="-0.011403">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.488583" y3="-2.442829" z3="0.030653">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="2.530398" y3="-3.42432" z3="0.043321">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.26303" y3="-2.7665" z3="0.025056">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.413362" y3="-1.379494" z3="-0.001256">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.796632" y3="-1.19369" z3="0.004128">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.482331" y3="2.444746" z3="0.050369">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-2.523735" y3="3.424218" z3="0.062018">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-0.040113" y3="3.438466" z3="0.026934">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="0.044849" y3="-3.440854" z3="0.020754">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.441391" y3="0.042647" z3="-0.026615">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.438782" y3="-0.043213" z3="-0.025465">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="2.556758" y3="4.56906" z3="-0.036471">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="4.506981" y3="2.673114" z3="-0.078616">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-2.559885" y3="-4.571412" z3="-0.047584">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-4.502333" y3="-2.678839" z3="-0.089082">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.572787" y3="-2.561756" z3="0.032881">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="2.680178" y3="-4.504043" z3="0.073404">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.56723" y3="2.555049" z3="0.060315">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-2.670492" y3="4.504361" z3="0.099691">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="0.067149" y3="-4.929701" z3="0.028512">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="0.102508" y3="-5.642229" z3="-1.182443">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="0.05044" y3="-5.697296" z3="1.20461">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="0.122317" y3="-7.034717" z3="-1.223116">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="0.046985" y3="-7.094319" z3="1.186828">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="0.090395" y3="-7.763252" z3="-0.034412">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="0.119776" y3="-5.06931" z3="-2.114359">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="0.157151" y3="-7.553093" z3="-2.184166">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="0.015259" y3="-7.656328" z3="2.124065">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="0.089006" y3="-8.855465" z3="-0.047602">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.927965" y3="-0.067818" z3="-0.02867">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.635229" y3="-0.123275" z3="1.182552">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.70086" y3="-0.039499" z3="-1.203852">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-7.028323" y3="-0.144662" z3="1.229582">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-7.097615" y3="-0.038663" z3="-1.177846">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.76208" y3="-0.092829" z3="0.04532">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-5.060476" y3="-0.15297" z3="2.113259">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-7.540816" y3="-0.192334" z3="2.193068">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.664931" y3="0.001236" z3="-2.111679">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.854282" y3="-0.094285" z3="0.061752">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-0.06305" y3="4.927373" z3="0.030775">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-0.054622" y3="5.698983" z3="1.202963">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-0.091281" y3="5.634924" z3="-1.183179">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-0.054415" y3="7.095945" z3="1.180334">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-0.114328" y3="7.026078" z3="-1.228271">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-0.088894" y3="7.759429" z3="-0.042061">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-0.102103" y3="5.057903" z3="-2.11262">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-0.02798" y3="7.657966" z3="2.1179">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-0.144278" y3="7.541342" z3="-2.191129">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-0.090848" y3="8.851392" z3="-0.065079">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.93033" y3="0.066074" z3="-0.027609">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.703386" y3="0.053469" z3="-1.199853">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.637254" y3="0.094531" z3="1.187306">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="7.101337" y3="0.05059" z3="-1.175915">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="7.029867" y3="0.110018" z3="1.233747">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.764338" y3="0.091294" z3="0.047341">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="5.059592" y3="0.106476" z3="2.116336">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.664261" y3="0.022195" z3="-2.112874">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="7.544379" y3="0.139465" z3="2.197061">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.856357" y3="0.090115" z3="0.071065">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.84976" y3="-0.015078" z3="-2.905081">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-0.030423" y3="4.840898" z3="2.899729">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.84627" y3="0.024416" z3="-2.896928">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="0.017162" y3="-4.831592" z3="2.898185">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.001973" y3="-0.001435" z3="-0.004521">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.2579,2.764,.0334;-1.4088,1.3772,.0045;-2.7918,1.1933,.0117;2.4469,3.484,-.0363;3.4267,2.5256,-.0493;2.767,1.2594,-.0315;1.3799,1.4096,-.006;1.196,2.7923,-.01;-2.441,-3.4873,-.0421;-3.4226,-2.5292,-.0552;-2.7643,-1.2619,-.0308;-1.3772,-1.4125,-.0062;-1.1917,-2.7958,-.0114;3.4886,-2.4428,.0307;2.5304,-3.4243,.0433;1.263,-2.7665,.0251;1.4134,-1.3795,-.0013;2.7966,-1.1937,.0041;-3.4823,2.4447,.0504;-2.5237,3.4242,.062;-.0401,3.4385,.0269;.0448,-3.4409,.0208;3.4414,.0426,-.0266;-3.4388,-.0432,-.0255;2.5568,4.5691,-.0365;4.507,2.6731,-.0786;-2.5599,-4.5714,-.0476;-4.5023,-2.6788,-.0891;4.5728,-2.5618,.0329;2.6802,-4.504,.0734;-4.5672,2.555,.0603;-2.6705,4.5044,.0997;.0671,-4.9297,.0285;.1025,-5.6422,-1.1824;.0504,-5.6973,1.2046;.1223,-7.0347,-1.2231;.047,-7.0943,1.1868;.0904,-7.7633,-.0344;.1198,-5.0693,-2.1144;.1572,-7.5531,-2.1842;.0153,-7.6563,2.1241;.089,-8.8555,-.0476;-4.928,-.0678,-.0287;-5.6352,-.1233,1.1826;-5.7009,-.0395,-1.2039;-7.0283,-.1447,1.2296;-7.0976,-.0387,-1.1778;-7.7621,-.0928,.0453;-5.0605,-.153,2.1133;-7.5408,-.1923,2.1931;-7.6649,.0012,-2.1117;-8.8543,-.0943,.0618;-.063,4.9274,.0308;-.0546,5.699,1.203;-.0913,5.6349,-1.1832;-.0544,7.0959,1.1803;-.1143,7.0261,-1.2283;-.0889,7.7594,-.0421;-.1021,5.0579,-2.1126;-.028,7.658,2.1179;-.1443,7.5413,-2.1911;-.0908,8.8514,-.0651;4.9303,.0661,-.0276;5.7034,.0535,-1.1999;5.6373,.0945,1.1873;7.1013,.0506,-1.1759;7.0299,.11,1.2337;7.7643,.0913,.0473;5.0596,.1065,2.1163;7.6643,.0222,-2.1129;7.5444,.1395,2.1971;8.8564,.0901,.0711;-4.8498,-.0151,-2.9051;-.0304,4.8409,2.8997;4.8463,.0244,-2.8969;.0172,-4.8316,2.8982;.002,-.0014,-.0045;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339085 0.0338619 0.0211851</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-1.333709" y3="2.732032" z3="-0.027421">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.448946" y3="1.342206" z3="0.00143">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.82576" y3="1.121093" z3="0.039662">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="2.35446" y3="3.549104" z3="-0.038031">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="3.359082" y3="2.618756" z3="0.009656">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.732265" y3="1.334078" z3="0.02679">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="1.34245" y3="1.449156" z3="-0.002432">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="1.1213" y3="2.825951" z3="-0.039883">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-2.353832" y3="-3.549241" z3="-0.038523">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-3.358576" y3="-2.618883" z3="0.009362">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.731956" y3="-1.334057" z3="0.027576">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-1.342153" y3="-1.449344" z3="-0.002136">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-1.120745" y3="-2.82614" z3="-0.039926">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.549623" y3="-2.353809" z3="0.036507">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="2.619242" y3="-3.358568" z3="-0.011244">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.334354" y3="-2.732112" z3="-0.028563">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.449553" y3="-1.342322" z3="0.000506">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.826368" y3="-1.12079" z3="0.038275">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.548684" y3="2.354441" z3="0.040023">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-2.618331" y3="3.359021" z3="-0.008173">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-0.131773" y3="3.437052" z3="-0.051444">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="0.132388" y3="-3.437201" z3="-0.052245">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.437314" y3="0.1323" z3="0.050603">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.436998" y3="-0.132081" z3="0.051564">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="2.443741" y3="4.635577" z3="-0.06119">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="4.435559" y3="2.791688" z3="0.023866">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-2.443447" y3="-4.635663" z3="-0.062488">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-4.435007" y3="-2.792088" z3="0.022979">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.636068" y3="-2.443373" z3="0.060028">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="2.792492" y3="-4.434975" z3="-0.0252">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.635093" y3="2.443843" z3="0.065164">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-2.791158" y3="4.435527" z3="-0.02088">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="0.190383" y3="-4.922743" z3="-0.106929">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="0.243836" y3="-5.57579" z3="-1.349347">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="0.192939" y3="-5.74204" z3="1.034357">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="0.29727" y3="-6.963915" z3="-1.454582">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="0.241403" y3="-7.13554" z3="0.950341">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="0.295047" y3="-7.746424" z3="-0.300611">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="0.243303" y3="-4.960245" z3="-2.253726">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="0.338917" y3="-7.434755" z3="-2.439574">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="0.238002" y3="-7.739645" z3="1.860118">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="0.333229" y3="-8.836292" z3="-0.366414">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.922521" y3="-0.190595" z3="0.107194">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.573609" y3="-0.24904" z3="1.350275">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.743558" y3="-0.190019" z3="-1.033029">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.96165" y3="-0.303202" z3="1.457374">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-7.136917" y3="-0.239492" z3="-0.946958">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.746016" y3="-0.296122" z3="0.304695">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.95666" y3="-0.251723" z3="2.253707">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-7.430813" y3="-0.348616" z3="2.442991">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.742412" y3="-0.234388" z3="-1.855811">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.835781" y3="-0.335002" z3="0.371846">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-0.189912" y3="4.922585" z3="-0.106074">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-0.19207" y3="5.741971" z3="1.034952">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-0.244228" y3="5.575457" z3="-1.348526">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-0.241452" y3="7.135337" z3="0.950969">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-0.298569" y3="6.963356" z3="-1.453755">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-0.295279" y3="7.745953" z3="-0.299896">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-0.244231" y3="4.959859" z3="-2.252867">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-0.23803" y3="7.739428" z3="1.860766">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-0.341417" y3="7.434235" z3="-2.438673">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-0.334073" y3="8.835786" z3="-0.365765">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.922823" y3="0.190548" z3="0.105911">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.742635" y3="0.192727" z3="-1.034974">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.57545" y3="0.243985" z3="1.348678">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="7.136206" y3="0.241525" z3="-0.950537">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.963654" y3="0.296226" z3="1.45442">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.746572" y3="0.296076" z3="0.300595">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.959588" y3="0.243347" z3="2.252842">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.740592" y3="0.237877" z3="-1.860139">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="7.43432" y3="0.337708" z3="2.439507">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.836407" y3="0.334523" z3="0.366779">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.964478" y3="-0.123214" z3="-2.772116">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-0.124431" y3="4.959754" z3="2.772192">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.960884" y3="0.125115" z3="-2.772411">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="0.126098" y3="-4.959597" z3="2.771597">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000238" y3="-0.000122" z3="-0.001088">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.3337,2.732,-.0274;-1.4489,1.3422,.0014;-2.8258,1.1211,.0397;2.3545,3.5491,-.038;3.3591,2.6188,.0097;2.7323,1.3341,.0268;1.3424,1.4492,-.0024;1.1213,2.826,-.0399;-2.3538,-3.5492,-.0385;-3.3586,-2.6189,.0094;-2.732,-1.3341,.0276;-1.3422,-1.4493,-.0021;-1.1207,-2.8261,-.0399;3.5496,-2.3538,.0365;2.6192,-3.3586,-.0112;1.3344,-2.7321,-.0286;1.4496,-1.3423,.0005;2.8264,-1.1208,.0383;-3.5487,2.3544,.04;-2.6183,3.359,-.0082;-.1318,3.4371,-.0514;.1324,-3.4372,-.0522;3.4373,.1323,.0506;-3.437,-.1321,.0516;2.4437,4.6356,-.0612;4.4356,2.7917,.0239;-2.4434,-4.6357,-.0625;-4.435,-2.7921,.023;4.6361,-2.4434,.06;2.7925,-4.435,-.0252;-4.6351,2.4438,.0652;-2.7912,4.4355,-.0209;.1904,-4.9227,-.1069;.2438,-5.5758,-1.3493;.1929,-5.742,1.0344;.2973,-6.9639,-1.4546;.2414,-7.1355,.9503;.295,-7.7464,-.3006;.2433,-4.9602,-2.2537;.3389,-7.4348,-2.4396;.238,-7.7396,1.8601;.3332,-8.8363,-.3664;-4.9225,-.1906,.1072;-5.5736,-.249,1.3503;-5.7436,-.19,-1.033;-6.9616,-.3032,1.4574;-7.1369,-.2395,-.947;-7.746,-.2961,.3047;-4.9567,-.2517,2.2537;-7.4308,-.3486,2.443;-7.7424,-.2344,-1.8558;-8.8358,-.335,.3718;-.1899,4.9226,-.1061;-.1921,5.742,1.035;-.2442,5.5755,-1.3485;-.2415,7.1353,.951;-.2986,6.9634,-1.4538;-.2953,7.746,-.2999;-.2442,4.9599,-2.2529;-.238,7.7394,1.8608;-.3414,7.4342,-2.4387;-.3341,8.8358,-.3658;4.9228,.1905,.1059;5.7426,.1927,-1.035;5.5755,.244,1.3487;7.1362,.2415,-.9505;6.9637,.2962,1.4544;7.7466,.2961,.3006;4.9596,.2433,2.2528;7.7406,.2379,-1.8601;7.4343,.3377,2.4395;8.8364,.3345,.3668;-4.9645,-.1232,-2.7721;-.1244,4.9598,2.7722;4.9609,.1251,-2.7724;.1261,-4.9596,2.7716;.0002,-.0001,-.0011;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339857 0.0339747 0.0208849</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.223008" y3="2.074057" z3="-0.027126">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.833633" y3="0.734969" z3="0.002386">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-3.040153" y3="0.036023" z3="0.040918">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="0.929176" y3="4.156343" z3="-0.039351">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="2.200127" y3="3.646919" z3="0.008676">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.074151" y3="2.222951" z3="0.026846">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.735108" y3="1.833477" z3="-0.002697">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="0.036138" y3="3.039989" z3="-0.040549">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-0.929063" y3="-4.156671" z3="-0.039045">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-2.200077" y3="-3.64727" z3="0.009276">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.074252" y3="-2.223258" z3="0.028032">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.735179" y3="-1.833923" z3="-0.002126">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-0.036058" y3="-3.040351" z3="-0.040275">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.156528" y3="-0.929126" z3="0.037788">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="3.647053" y3="-2.200136" z3="-0.010279">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.223065" y3="-2.074371" z3="-0.028251">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.833711" y3="-0.735313" z3="0.001398">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="3.040159" y3="-0.036136" z3="0.039274">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.156415" y3="0.929227" z3="0.041077">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-3.646985" y3="2.200158" z3="-0.007508">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-1.352557" y3="3.162346" z3="-0.051996">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="1.352641" y3="-3.162669" z3="-0.052585">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.162448" y3="1.352581" z3="0.051313">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.162553" y3="-1.352795" z3="0.052783">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="0.62437" y3="5.202958" z3="-0.063444">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="3.143612" y3="4.193303" z3="0.02266">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-0.624304" y3="-5.203284" z3="-0.063615">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-3.143474" y3="-4.1938" z3="0.023094">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.203158" y3="-0.624383" z3="0.061906">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.193559" y3="-3.14354" z3="-0.024307">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.203013" y3="0.624505" z3="0.066577">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.193315" y3="3.143683" z3="-0.020626">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="1.938015" y3="-4.529054" z3="-0.108269">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="2.220603" y3="-5.11864" z3="-1.351402">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="2.234388" y3="-5.294037" z3="1.032187">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="2.766863" y3="-6.395782" z3="-1.458175">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="2.779376" y3="-6.577306" z3="0.9466">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="3.04648" y3="-7.127887" z3="-0.305006">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="1.999097" y3="-4.543256" z3="-2.255082">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="2.97303" y3="-6.819887" z3="-2.443715">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="2.994113" y3="-7.1428" z3="1.855749">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="3.47281" y3="-8.131584" z3="-0.371982">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.528812" y3="-1.938462" z3="0.108731">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.115893" y3="-2.224992" z3="1.352039">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.295714" y3="-2.231919" z3="-1.031253">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.392812" y3="-2.771712" z3="1.45951">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-6.578667" y3="-2.777501" z3="-0.944858">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.127329" y3="-3.047374" z3="0.306948">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.538742" y3="-2.006194" z3="2.255258">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-6.814944" y3="-2.980927" z3="2.445251">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.145498" y3="-2.990452" z3="-1.853595">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.130829" y3="-3.474091" z3="0.374442">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-1.938013" y3="4.52871" z3="-0.107426">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-2.233117" y3="5.294077" z3="1.03296">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-2.222148" y3="5.117732" z3="-1.350419">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-2.778675" y3="6.577043" z3="0.947628">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-2.768987" y3="6.394539" z3="-1.456983">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-3.046888" y3="7.127193" z3="-0.3038">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-2.001792" y3="4.542002" z3="-2.254159">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-2.992635" y3="7.142763" z3="1.856825">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-2.976782" y3="6.818175" z3="-2.44238">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-3.473596" y3="8.130739" z3="-0.370535">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.528766" y3="1.938117" z3="0.107003">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.294026" y3="2.23375" z3="-1.033367">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.118172" y3="2.22125" z3="1.350105">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="6.577194" y3="2.779001" z3="-0.947906">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.395624" y3="2.766785" z3="1.456824">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.127317" y3="3.047234" z3="0.303592">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.542704" y3="2.00009" z3="2.253815">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.142894" y3="2.993196" z3="-1.85706">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="6.819745" y3="2.973323" z3="2.442281">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.13093" y3="3.473784" z3="0.3704">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.59311" y3="-1.888507" z3="-2.770422">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-1.889112" y3="4.590071" z3="2.771146">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.589784" y3="1.890495" z3="-2.771597">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="1.892371" y3="-4.58933" z3="2.770519">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000016" y3="-0.000222" z3="-0.000531">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.223,2.0741,-.0271;-1.8336,.735,.0024;-3.0402,.036,.0409;.9292,4.1563,-.0394;2.2001,3.6469,.0087;2.0742,2.223,.0268;.7351,1.8335,-.0027;.0361,3.04,-.0405;-.9291,-4.1567,-.039;-2.2001,-3.6473,.0093;-2.0743,-2.2233,.028;-.7352,-1.8339,-.0021;-.0361,-3.0404,-.0403;4.1565,-.9291,.0378;3.6471,-2.2001,-.0103;2.2231,-2.0744,-.0283;1.8337,-.7353,.0014;3.0402,-.0361,.0393;-4.1564,.9292,.0411;-3.647,2.2002,-.0075;-1.3526,3.1623,-.052;1.3526,-3.1627,-.0526;3.1624,1.3526,.0513;-3.1626,-1.3528,.0528;.6244,5.203,-.0634;3.1436,4.1933,.0227;-.6243,-5.2033,-.0636;-3.1435,-4.1938,.0231;5.2032,-.6244,.0619;4.1936,-3.1435,-.0243;-5.203,.6245,.0666;-4.1933,3.1437,-.0206;1.938,-4.5291,-.1083;2.2206,-5.1186,-1.3514;2.2344,-5.294,1.0322;2.7669,-6.3958,-1.4582;2.7794,-6.5773,.9466;3.0465,-7.1279,-.305;1.9991,-4.5433,-2.2551;2.973,-6.8199,-2.4437;2.9941,-7.1428,1.8557;3.4728,-8.1316,-.372;-4.5288,-1.9385,.1087;-5.1159,-2.225,1.352;-5.2957,-2.2319,-1.0313;-6.3928,-2.7717,1.4595;-6.5787,-2.7775,-.9449;-7.1273,-3.0474,.3069;-4.5387,-2.0062,2.2553;-6.8149,-2.9809,2.4453;-7.1455,-2.9905,-1.8536;-8.1308,-3.4741,.3744;-1.938,4.5287,-.1074;-2.2331,5.2941,1.033;-2.2221,5.1177,-1.3504;-2.7787,6.577,.9476;-2.769,6.3945,-1.457;-3.0469,7.1272,-.3038;-2.0018,4.542,-2.2542;-2.9926,7.1428,1.8568;-2.9768,6.8182,-2.4424;-3.4736,8.1307,-.3705;4.5288,1.9381,.107;5.294,2.2338,-1.0334;5.1182,2.2212,1.3501;6.5772,2.779,-.9479;6.3956,2.7668,1.4568;7.1273,3.0472,.3036;4.5427,2.0001,2.2538;7.1429,2.9932,-1.8571;6.8197,2.9733,2.4423;8.1309,3.4738,.3704;-4.5931,-1.8885,-2.7704;-1.8891,4.5901,2.7711;4.5898,1.8905,-2.7716;1.8924,-4.5893,2.7705;0,-.0002,-.0005;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339825 0.0339765 0.0208815</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.714566" y3="1.369068" z3="-0.026614">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.966161" y3="0.192401" z3="0.002863">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.928902" y3="-0.816195" z3="0.041474">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.270824" y3="4.250262" z3="-0.04021">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="1.091923" y3="4.116779" z3="0.007579">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="1.369302" y3="2.714393" z3="0.026482">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.192692" y3="1.965914" z3="-0.002909">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-0.815926" y3="2.928648" z3="-0.040846">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="0.271003" y3="-4.250795" z3="-0.039552">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-1.091791" y3="-4.117355" z3="0.008582">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-1.3693" y3="-2.714967" z3="0.02789">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.192648" y3="-1.966594" z3="-0.002189">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="0.816069" y3="-2.929215" z3="-0.040405">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.250547" y3="0.270682" z3="0.038518">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.117003" y3="-1.092123" z3="-0.009302">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.714656" y3="-1.369632" z3="-0.027809">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.966289" y3="-0.192979" z3="0.001791">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.92894" y3="0.815773" z3="0.03962">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.250481" y3="-0.270935" z3="0.041943">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.116991" y3="1.091797" z3="-0.006449">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.183348" y3="2.657488" z3="-0.051904">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.18346" y3="-2.658019" z3="-0.052432">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.657726" y3="2.183228" z3="0.051259">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.657734" y3="-2.183743" z3="0.052989">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-0.856192" y3="5.169832" z3="-0.064726">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="1.844878" y3="4.905313" z3="0.020934">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="0.856336" y3="-5.170376" z3="-0.064436">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-1.844636" y3="-4.905986" z3="0.021926">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.170165" y3="0.855974" z3="0.062908">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.905594" y3="-1.845009" z3="-0.022839">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.170053" y3="-0.856233" z3="0.067717">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.905488" y3="1.844798" z3="-0.019142">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.12771" y3="-3.806019" z3="-0.108219">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="3.563866" y3="-4.292766" z3="-1.351464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="3.626445" y3="-4.457612" z3="1.032104">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="4.445691" y3="-5.366015" z3="-1.458489">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="4.509233" y3="-5.536666" z3="0.946266">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="4.91948" y3="-5.990505" z3="-0.305439">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.190031" y3="-3.802261" z3="-2.255015">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="4.762103" y3="-5.715444" z3="-2.444112">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="4.874086" y3="-6.019243" z3="1.855321">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="5.609922" y3="-6.834571" z3="-0.372586">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.805554" y3="-3.128212" z3="0.108823">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-4.288986" y3="-3.567826" z3="1.352023">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.459725" y3="-3.624171" z3="-1.031271">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-5.36195" y3="-4.449983" z3="1.459305">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-5.538396" y3="-4.507351" z3="-0.945083">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-5.989674" y3="-4.920262" z3="0.306614">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-3.796141" y3="-3.196435" z3="2.255314">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-5.708818" y3="-4.769075" z3="2.444964">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-6.022771" y3="-4.870387" z3="-1.853908">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-6.833507" y3="-5.610973" z3="0.373947">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.127667" y3="3.805457" z3="-0.107421">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-3.625104" y3="4.457886" z3="1.032863">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-3.5653" y3="4.291133" z3="-1.350501">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-4.50829" y3="5.536579" z3="0.947293">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-4.447539" y3="5.363988" z3="-1.457303">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-4.919715" y3="5.989566" z3="-0.304219">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.192585" y3="3.799891" z3="-2.254113">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-4.872272" y3="6.019715" z3="1.856406">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-4.765432" y3="5.712471" z3="-2.442783">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-5.610434" y3="6.833419" z3="-0.371131">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="3.80564" y3="3.127601" z3="0.10686">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.457597" y3="3.625557" z3="-1.033463">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="4.292093" y3="3.564399" z3="1.349949">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="5.536469" y3="4.508537" z3="-0.947913">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="5.365712" y3="4.445729" z3="1.456741">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="5.989657" y3="4.919839" z3="0.303572">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="3.801441" y3="3.191006" z3="2.2536">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="6.019328" y3="4.872824" z3="-1.85705">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="5.715058" y3="4.762653" z3="2.442228">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="6.833594" y3="5.610461" z3="0.370445">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.882164" y3="-3.096229" z3="-2.770284">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.097136" y3="3.879269" z3="2.771262">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.878255" y3="3.098308" z3="-2.771832">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.100426" y3="-3.87761" z3="2.770664">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000058" y3="-0.000329" z3="-0.000336">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7146,1.3691,-.0266;-1.9662,.1924,.0029;-2.9289,-.8162,.0415;-.2708,4.2503,-.0402;1.0919,4.1168,.0076;1.3693,2.7144,.0265;.1927,1.9659,-.0029;-.8159,2.9286,-.0408;.271,-4.2508,-.0396;-1.0918,-4.1174,.0086;-1.3693,-2.715,.0279;-.1926,-1.9666,-.0022;.8161,-2.9292,-.0404;4.2505,.2707,.0385;4.117,-1.0921,-.0093;2.7147,-1.3696,-.0278;1.9663,-.193,.0018;2.9289,.8158,.0396;-4.2505,-.2709,.0419;-4.117,1.0918,-.0064;-2.1833,2.6575,-.0519;2.1835,-2.658,-.0524;2.6577,2.1832,.0513;-2.6577,-2.1837,.053;-.8562,5.1698,-.0647;1.8449,4.9053,.0209;.8563,-5.1704,-.0644;-1.8446,-4.906,.0219;5.1702,.856,.0629;4.9056,-1.845,-.0228;-5.1701,-.8562,.0677;-4.9055,1.8448,-.0191;3.1277,-3.806,-.1082;3.5639,-4.2928,-1.3515;3.6264,-4.4576,1.0321;4.4457,-5.366,-1.4585;4.5092,-5.5367,.9463;4.9195,-5.9905,-.3054;3.19,-3.8023,-2.255;4.7621,-5.7154,-2.4441;4.8741,-6.0192,1.8553;5.6099,-6.8346,-.3726;-3.8056,-3.1282,.1088;-4.289,-3.5678,1.352;-4.4597,-3.6242,-1.0313;-5.362,-4.45,1.4593;-5.5384,-4.5074,-.9451;-5.9897,-4.9203,.3066;-3.7961,-3.1964,2.2553;-5.7088,-4.7691,2.445;-6.0228,-4.8704,-1.8539;-6.8335,-5.611,.3739;-3.1277,3.8055,-.1074;-3.6251,4.4579,1.0329;-3.5653,4.2911,-1.3505;-4.5083,5.5366,.9473;-4.4475,5.364,-1.4573;-4.9197,5.9896,-.3042;-3.1926,3.7999,-2.2541;-4.8723,6.0197,1.8564;-4.7654,5.7125,-2.4428;-5.6104,6.8334,-.3711;3.8056,3.1276,.1069;4.4576,3.6256,-1.0335;4.2921,3.5644,1.3499;5.5365,4.5085,-.9479;5.3657,4.4457,1.4567;5.9897,4.9198,.3036;3.8014,3.191,2.2536;6.0193,4.8728,-1.8571;5.7151,4.7627,2.4422;6.8336,5.6105,.3704;-3.8822,-3.0962,-2.7703;-3.0971,3.8793,2.7713;3.8783,3.0983,-2.7718;3.1004,-3.8776,2.7707;.0001,-.0003,-.0003;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339823 0.0339758 0.0208814</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-1.515974" y3="2.63222" z3="-0.032068">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.535723" y3="1.237371" z3="0.00345">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.894262" y3="0.921526" z3="0.048796">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="2.101791" y3="3.698747" z3="-0.047467">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="3.167031" y3="2.841786" z3="0.012549">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.632965" y3="1.515567" z3="0.032209">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="1.238232" y3="1.535043" z3="-0.003611">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="0.922301" y3="2.893542" z3="-0.04828">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-2.101652" y3="-3.700569" z3="-0.048064">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-3.167033" y3="-2.843415" z3="0.012148">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.633223" y3="-1.51691" z3="0.032699">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-1.238326" y3="-1.536874" z3="-0.003498">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-0.922077" y3="-2.895508" z3="-0.048628">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.70065" y3="-2.100791" z3="0.046438">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="2.843899" y3="-3.166583" z3="-0.013741">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.516905" y3="-2.63357" z3="-0.033471">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.536353" y3="-1.238789" z3="0.002422">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.894903" y3="-0.921891" z3="0.047386">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.699179" y3="2.101301" z3="0.049537">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-2.842188" y3="3.166484" z3="-0.010859">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-0.369701" y3="3.421153" z3="-0.066073">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="0.370374" y3="-3.423073" z3="-0.067195">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.421913" y3="0.369928" z3="0.065898">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.42213" y3="-0.370493" z3="0.066751">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="2.117716" y3="4.788391" z3="-0.077483">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="4.229302" y3="3.089776" z3="0.030984">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-2.117743" y3="-4.790153" z3="-0.078685">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-4.229265" y3="-3.091592" z3="0.030193">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.790317" y3="-2.116247" z3="0.076678">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="3.092706" y3="-4.228559" z3="-0.032127">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.788757" y3="2.117394" z3="0.080967">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-3.090057" y3="4.228785" z3="-0.028253">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="0.54505" y3="-4.904465" z3="-0.150417">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="0.649493" y3="-5.492737" z3="-1.424231">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="0.617032" y3="-5.787623" z3="0.945837">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="0.81453" y3="-6.863029" z3="-1.605034">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="0.779779" y3="-7.165468" z3="0.781687">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="0.879678" y3="-7.703039" z3="-0.497732">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="0.598056" y3="-4.833713" z3="-2.29569">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="0.891624" y3="-7.274526" z3="-2.614172">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="0.829315" y3="-7.815495" z3="1.657075">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="1.007275" y3="-8.781155" z3="-0.621712">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.903646" y3="-0.544886" z3="0.149979">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.489263" y3="-0.654071" z3="1.424598">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.789698" y3="-0.612812" z3="-0.945256">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.859574" y3="-0.819245" z3="1.607692">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-7.167421" y3="-0.775817" z3="-0.778314">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.702382" y3="-0.879203" z3="0.502011">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.828272" y3="-0.606281" z3="2.294808">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-7.268734" y3="-0.900011" z3="2.617464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.819436" y3="-0.822659" z3="-1.652374">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.780303" y3="-1.00687" z3="0.627808">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-0.544058" y3="4.902562" z3="-0.149007">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-0.614508" y3="5.786297" z3="0.946688">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-0.649964" y3="5.490375" z3="-1.422931">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-0.777421" y3="7.163533" z3="0.782156">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-0.815189" y3="6.859923" z3="-1.603932">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-0.878277" y3="7.70026" z3="-0.49713">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-0.599898" y3="4.8311" z3="-2.294271">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-0.825964" y3="7.814009" z3="1.657254">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-0.893823" y3="7.271109" z3="-2.613058">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-1.005945" y3="8.778329" z3="-0.621253">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.903243" y3="0.545104" z3="0.149356">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.787409" y3="0.616751" z3="-0.946812">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.491321" y3="0.650113" z3="1.424076">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="7.16577" y3="0.780179" z3="-0.782119">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.862293" y3="0.814781" z3="1.605529">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.702947" y3="0.881274" z3="0.49799">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.831985" y3="0.598722" z3="2.295324">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.816222" y3="0.829451" z3="-1.657228">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="7.273564" y3="0.892172" z3="2.614765">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.780998" y3="1.009359" z3="0.622151">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-5.158221" y3="-0.486309" z3="-2.736813">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-0.488662" y3="5.150388" z3="2.736023">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="5.151229" y3="0.491647" z3="-2.736182">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="0.493022" y3="-5.150107" z3="2.734874">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000104" y3="-0.000943" z3="-0.000637">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.516,2.6322,-.0321;-1.5357,1.2374,.0034;-2.8943,.9215,.0488;2.1018,3.6987,-.0475;3.167,2.8418,.0125;2.633,1.5156,.0322;1.2382,1.535,-.0036;.9223,2.8935,-.0483;-2.1017,-3.7006,-.0481;-3.167,-2.8434,.0121;-2.6332,-1.5169,.0327;-1.2383,-1.5369,-.0035;-.9221,-2.8955,-.0486;3.7006,-2.1008,.0464;2.8439,-3.1666,-.0137;1.5169,-2.6336,-.0335;1.5364,-1.2388,.0024;2.8949,-.9219,.0474;-3.6992,2.1013,.0495;-2.8422,3.1665,-.0109;-.3697,3.4212,-.0661;.3704,-3.4231,-.0672;3.4219,.3699,.0659;-3.4221,-.3705,.0668;2.1177,4.7884,-.0775;4.2293,3.0898,.031;-2.1177,-4.7902,-.0787;-4.2293,-3.0916,.0302;4.7903,-2.1162,.0767;3.0927,-4.2286,-.0321;-4.7888,2.1174,.081;-3.0901,4.2288,-.0283;.5451,-4.9045,-.1504;.6495,-5.4927,-1.4242;.617,-5.7876,.9458;.8145,-6.863,-1.605;.7798,-7.1655,.7817;.8797,-7.703,-.4977;.5981,-4.8337,-2.2957;.8916,-7.2745,-2.6142;.8293,-7.8155,1.6571;1.0073,-8.7812,-.6217;-4.9036,-.5449,.15;-5.4893,-.6541,1.4246;-5.7897,-.6128,-.9453;-6.8596,-.8192,1.6077;-7.1674,-.7758,-.7783;-7.7024,-.8792,.502;-4.8283,-.6063,2.2948;-7.2687,-.9,2.6175;-7.8194,-.8227,-1.6524;-8.7803,-1.0069,.6278;-.5441,4.9026,-.149;-.6145,5.7863,.9467;-.65,5.4904,-1.4229;-.7774,7.1635,.7822;-.8152,6.8599,-1.6039;-.8783,7.7003,-.4971;-.5999,4.8311,-2.2943;-.826,7.814,1.6573;-.8938,7.2711,-2.6131;-1.0059,8.7783,-.6213;4.9032,.5451,.1494;5.7874,.6168,-.9468;5.4913,.6501,1.4241;7.1658,.7802,-.7821;6.8623,.8148,1.6055;7.7029,.8813,.498;4.832,.5987,2.2953;7.8162,.8295,-1.6572;7.2736,.8922,2.6148;8.781,1.0094,.6222;-5.1582,-.4863,-2.7368;-.4887,5.1504,2.736;5.1512,.4916,-2.7362;.493,-5.1501,2.7349;.0001,-.0009,-.0006;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0333033 0.0332841 0.0202993</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.121125" y3="2.175725" z3="-0.028543">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.79509" y3="0.819513" z3="0.004679">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-3.032995" y3="0.177691" z3="0.048723">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.123257" y3="4.105183" z3="-0.049288">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="2.368027" y3="3.537461" z3="0.005251">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.176802" y3="2.120795" z3="0.029233">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.820653" y3="1.794707" z3="-0.004529">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="0.178869" y3="3.032545" z3="-0.04787">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-1.122473" y3="-4.106906" z3="-0.050644">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-2.367441" y3="-3.539166" z3="0.004388">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.176317" y3="-2.12245" z3="0.029198">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.820074" y3="-1.796435" z3="-0.004833">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-0.178147" y3="-3.034418" z3="-0.048828">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.106667" y3="-1.122681" z3="0.048611">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="3.539267" y3="-2.367792" z3="-0.00633">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.122297" y3="-2.177154" z3="-0.03029">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.796095" y3="-0.82096" z3="0.003684">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="3.033908" y3="-0.178761" z3="0.047389">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.105531" y3="1.122262" z3="0.051602">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-3.537794" y3="2.366988" z3="-0.00322">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-1.202814" y3="3.22271" z3="-0.061531">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="1.203834" y3="-3.224378" z3="-0.06324">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.223679" y3="1.202753" z3="0.061937">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.223258" y3="-1.203998" z3="0.062432">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="0.868451" y3="5.164807" z3="-0.079095">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="3.335888" y3="4.040283" z3="0.018462">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-0.868724" y3="-5.166756" z3="-0.081149">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-3.335247" y3="-4.042062" z3="0.017322">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.16647" y3="-0.868531" z3="0.078645">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.0425" y3="-3.335353" z3="-0.019713">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.165123" y3="0.867548" z3="0.082643">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.040554" y3="3.334891" z3="-0.015483">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="1.732402" y3="-4.616494" z3="-0.137161">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="1.988016" y3="-5.182054" z3="-1.398517">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="2.004359" y3="-5.430754" z3="0.977978">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="2.483118" y3="-6.47494" z3="-1.54842">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="2.500595" y3="-6.729768" z3="0.846695">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="2.740598" y3="-7.25176" z3="-0.421408">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="1.786126" y3="-4.571416" z3="-2.283301">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="2.66812" y3="-6.87582" z3="-2.547805">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="2.698835" y3="-7.3304" z3="1.736444">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="3.128521" y3="-8.268388" z3="-0.521124">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.615444" y3="-1.732463" z3="0.136753">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.178814" y3="-1.992205" z3="1.398044">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.432104" y3="-2.001027" z3="-0.978354">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.471875" y3="-2.487253" z3="1.548914">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-6.731107" y3="-2.497138" z3="-0.845789">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.251089" y3="-2.740555" z3="0.422606">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.566722" y3="-1.793453" z3="2.282576">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-6.870868" y3="-2.675049" z3="2.548498">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.333504" y3="-2.692749" z3="-1.734916">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.267674" y3="-3.128472" z3="0.522923">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-1.73129" y3="4.614908" z3="-0.135487">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-2.003431" y3="5.429821" z3="0.979111">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-1.986791" y3="5.179932" z3="-1.39712">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-2.499516" y3="6.728572" z3="0.847088">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-2.481728" y3="6.472487" z3="-1.547584">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-2.739201" y3="7.2499" z3="-0.421183">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-1.784812" y3="4.568839" z3="-2.281561">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-2.697637" y3="7.329364" z3="1.736771">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-2.666537" y3="6.872868" z3="-2.547193">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-3.127153" y3="8.266376" z3="-0.522171">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.615731" y3="1.731586" z3="0.136303">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.430638" y3="2.004456" z3="-0.978574">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.18097" y3="1.986577" z3="1.398342">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="6.729835" y3="2.501031" z3="-0.846473">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.474122" y3="2.481871" z3="1.548995">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.251405" y3="2.740568" z3="0.422207">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.570018" y3="1.783955" z3="2.282746">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.330434" y3="2.699796" z3="-1.736155">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="6.874588" y3="2.666332" z3="2.548659">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.26786" y3="3.128635" z3="0.523211">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.794643" y3="-1.696596" z3="-2.747784">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-1.701809" y3="4.790254" z3="2.748116">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.79074" y3="1.702863" z3="-2.747509">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="1.701597" y3="-4.789693" z3="2.746457">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000424" y3="-0.000855" z3="-0.000489">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.1211,2.1757,-.0285;-1.7951,.8195,.0047;-3.033,.1777,.0487;1.1233,4.1052,-.0493;2.368,3.5375,.0053;2.1768,2.1208,.0292;.8207,1.7947,-.0045;.1789,3.0325,-.0479;-1.1225,-4.1069,-.0506;-2.3674,-3.5392,.0044;-2.1763,-2.1225,.0292;-.8201,-1.7964,-.0048;-.1781,-3.0344,-.0488;4.1067,-1.1227,.0486;3.5393,-2.3678,-.0063;2.1223,-2.1772,-.0303;1.7961,-.821,.0037;3.0339,-.1788,.0474;-4.1055,1.1223,.0516;-3.5378,2.367,-.0032;-1.2028,3.2227,-.0615;1.2038,-3.2244,-.0632;3.2237,1.2028,.0619;-3.2233,-1.204,.0624;.8685,5.1648,-.0791;3.3359,4.0403,.0185;-.8687,-5.1668,-.0811;-3.3352,-4.0421,.0173;5.1665,-.8685,.0786;4.0425,-3.3354,-.0197;-5.1651,.8675,.0826;-4.0406,3.3349,-.0155;1.7324,-4.6165,-.1372;1.988,-5.1821,-1.3985;2.0044,-5.4308,.978;2.4831,-6.4749,-1.5484;2.5006,-6.7298,.8467;2.7406,-7.2518,-.4214;1.7861,-4.5714,-2.2833;2.6681,-6.8758,-2.5478;2.6988,-7.3304,1.7364;3.1285,-8.2684,-.5211;-4.6154,-1.7325,.1368;-5.1788,-1.9922,1.398;-5.4321,-2.001,-.9784;-6.4719,-2.4873,1.5489;-6.7311,-2.4971,-.8458;-7.2511,-2.7406,.4226;-4.5667,-1.7935,2.2826;-6.8709,-2.675,2.5485;-7.3335,-2.6927,-1.7349;-8.2677,-3.1285,.5229;-1.7313,4.6149,-.1355;-2.0034,5.4298,.9791;-1.9868,5.1799,-1.3971;-2.4995,6.7286,.8471;-2.4817,6.4725,-1.5476;-2.7392,7.2499,-.4212;-1.7848,4.5688,-2.2816;-2.6976,7.3294,1.7368;-2.6665,6.8729,-2.5472;-3.1272,8.2664,-.5222;4.6157,1.7316,.1363;5.4306,2.0045,-.9786;5.181,1.9866,1.3983;6.7298,2.501,-.8465;6.4741,2.4819,1.549;7.2514,2.7406,.4222;4.57,1.784,2.2827;7.3304,2.6998,-1.7362;6.8746,2.6663,2.5487;8.2679,3.1286,.5232;-4.7946,-1.6966,-2.7478;-1.7018,4.7903,2.7481;4.7907,1.7029,-2.7475;1.7016,-4.7897,2.7465;.0004,-.0009,-.0005;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0336140 0.0336023 0.0205524</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.028585" y3="-0.284437" z3="-0.029662">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.768542" y3="-0.882481" z3="0.003137">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.048402" y3="-2.247034" z3="0.046026">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-2.491265" y3="3.458453" z3="-0.046743">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-1.264129" y3="4.07155" z3="0.006943">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-0.284497" y3="3.028455" z3="0.030007">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.882883" y3="1.7684" z3="-0.003682">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-2.247607" y3="2.048461" z3="-0.046474">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="2.490068" y3="-3.457992" z3="-0.049282">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="1.26357" y3="-4.070824" z3="0.004219">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="0.284342" y3="-3.027868" z3="0.028365">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.882204" y3="-1.767959" z3="-0.00472">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="2.246308" y3="-2.047922" z3="-0.047939">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.460222" y3="2.487598" z3="0.047097">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.071657" y3="1.260468" z3="-0.00689">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="3.027797" y3="0.282936" z3="-0.030394">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.768227" y3="0.88177" z3="0.003171">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.049441" y3="2.245627" z3="0.046526">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.458211" y3="-2.490996" z3="0.047655">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.071499" y3="-1.263971" z3="-0.005666">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-3.257799" y3="1.093968" z3="-0.060949">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="3.256035" y3="-1.094425" z3="-0.062333">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="1.095134" y3="3.257099" z3="0.061612">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-1.09389" y3="-3.257009" z3="0.060022">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-3.476847" y3="3.924774" z3="-0.075853">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-1.04551" y3="5.138364" z3="0.020396">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="3.47562" y3="-3.924405" z3="-0.079069">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="1.044942" y3="-5.137708" z3="0.016811">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="3.927822" y3="3.472455" z3="0.07669">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.138444" y3="1.040466" z3="-0.020223">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-3.924348" y3="-3.476704" z3="0.077504">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.138364" y3="-1.045396" z3="-0.018056">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="4.651077" y3="-1.573627" z3="-0.133368">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="5.286241" y3="-1.755397" z3="-1.371103">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="5.388172" y3="-1.860841" z3="1.007703">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="6.603166" y3="-2.205622" z3="-1.463724">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="6.709693" y3="-2.31373" z3="0.949453">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="7.320571" y3="-2.486847" z3="-0.294731">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.718555" y3="-1.532905" z3="-2.280002">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="7.0681" y3="-2.336462" z3="-2.443707">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="7.256793" y3="-2.528639" z3="1.869921">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="8.352715" y3="-2.840845" z3="-0.344339">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-1.572204" y3="-4.652138" z3="0.130893">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-1.750312" y3="-5.290002" z3="1.367922">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-1.861282" y3="-5.385353" z3="-1.009263">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-2.199842" y3="-6.606582" z3="1.458743">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-2.31369" y3="-6.706716" z3="-0.953862">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-2.484008" y3="-7.32081" z3="0.288904">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-1.525615" y3="-4.72425" z3="2.2774">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-2.328192" y3="-7.073788" z3="2.438053">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-2.530386" y3="-7.251365" z3="-1.875407">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-2.837606" y3="-8.353134" z3="0.336609">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-4.652996" y3="1.572575" z3="-0.131983">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-5.38953" y3="1.858458" z3="1.00962">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-5.288617" y3="1.754948" z3="-1.36958">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-6.712291" y3="2.311169" z3="0.952581">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-6.606828" y3="2.2050" z3="-1.461597">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-7.32422" y3="2.485228" z3="-0.291465">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.720993" y3="1.533349" z3="-2.278762">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-7.258898" y3="2.525119" z3="1.87353">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-7.072221" y3="2.336433" z3="-2.441331">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-8.35661" y3="2.838754" z3="-0.340168">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="1.575067" y3="4.65177" z3="0.133386">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="1.861614" y3="5.388349" z3="-1.00644">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="1.757812" y3="5.285559" z3="1.370122">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="2.31479" y3="6.708371" z3="-0.947984">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="2.208352" y3="6.600654" z3="1.463039">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="2.48875" y3="7.317968" z3="0.295198">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="1.535647" y3="4.717533" z3="2.278856">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="2.529374" y3="7.255737" z3="-1.868293">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="2.340058" y3="7.0650" z3="2.443137">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="2.843313" y3="8.349865" z3="0.345041">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-1.629964" y3="-4.55965" z3="-2.714151">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-4.567844" y3="1.624327" z3="2.716636">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="1.627687" y3="4.569181" z3="-2.714421">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.568746" y3="-1.628733" z3="2.71581">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.000374" y3="0.000122" z3="-0.000665">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.0286,-.2844,-.0297;-1.7685,-.8825,.0031;-2.0484,-2.247,.046;-2.4913,3.4585,-.0467;-1.2641,4.0716,.0069;-.2845,3.0285,.03;-.8829,1.7684,-.0037;-2.2476,2.0485,-.0465;2.4901,-3.458,-.0493;1.2636,-4.0708,.0042;.2843,-3.0279,.0284;.8822,-1.768,-.0047;2.2463,-2.0479,-.0479;3.4602,2.4876,.0471;4.0717,1.2605,-.0069;3.0278,.2829,-.0304;1.7682,.8818,.0032;2.0494,2.2456,.0465;-3.4582,-2.491,.0477;-4.0715,-1.264,-.0057;-3.2578,1.094,-.0609;3.256,-1.0944,-.0623;1.0951,3.2571,.0616;-1.0939,-3.257,.06;-3.4768,3.9248,-.0759;-1.0455,5.1384,.0204;3.4756,-3.9244,-.0791;1.0449,-5.1377,.0168;3.9278,3.4725,.0767;5.1384,1.0405,-.0202;-3.9243,-3.4767,.0775;-5.1384,-1.0454,-.0181;4.6511,-1.5736,-.1334;5.2862,-1.7554,-1.3711;5.3882,-1.8608,1.0077;6.6032,-2.2056,-1.4637;6.7097,-2.3137,.9495;7.3206,-2.4868,-.2947;4.7186,-1.5329,-2.28;7.0681,-2.3365,-2.4437;7.2568,-2.5286,1.8699;8.3527,-2.8408,-.3443;-1.5722,-4.6521,.1309;-1.7503,-5.29,1.3679;-1.8613,-5.3854,-1.0093;-2.1998,-6.6066,1.4587;-2.3137,-6.7067,-.9539;-2.484,-7.3208,.2889;-1.5256,-4.7242,2.2774;-2.3282,-7.0738,2.4381;-2.5304,-7.2514,-1.8754;-2.8376,-8.3531,.3366;-4.653,1.5726,-.132;-5.3895,1.8585,1.0096;-5.2886,1.7549,-1.3696;-6.7123,2.3112,.9526;-6.6068,2.205,-1.4616;-7.3242,2.4852,-.2915;-4.721,1.5333,-2.2788;-7.2589,2.5251,1.8735;-7.0722,2.3364,-2.4413;-8.3566,2.8388,-.3402;1.5751,4.6518,.1334;1.8616,5.3883,-1.0064;1.7578,5.2856,1.3701;2.3148,6.7084,-.948;2.2084,6.6007,1.463;2.4888,7.318,.2952;1.5356,4.7175,2.2789;2.5294,7.2557,-1.8683;2.3401,7.065,2.4431;2.8433,8.3499,.345;-1.63,-4.5597,-2.7142;-4.5678,1.6243,2.7166;1.6277,4.5692,-2.7144;4.5687,-1.6287,2.7158;-.0004,.0001,-.0007;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0347388 0.0347125 0.0212767</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-1.487804" y3="2.651685" z3="-0.039318">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.523832" y3="1.257944" z3="0.000792">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.885549" y3="0.958705" z3="0.045009">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="2.148481" y3="3.677683" z3="-0.038153">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="3.204181" y3="2.806542" z3="0.021466">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.651423" y3="1.487921" z3="0.038431">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="1.257719" y3="1.523883" z3="-0.001607">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="0.958432" y3="2.885616" z3="-0.045606">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-2.148921" y3="-3.677283" z3="-0.038123">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-3.204401" y3="-2.806029" z3="0.021636">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.651638" y3="-1.487422" z3="0.03876">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-1.257933" y3="-1.523589" z3="-0.001482">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-0.958663" y3="-2.885214" z3="-0.045694">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.677407" y3="-2.148597" z3="0.037893">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="2.806155" y3="-3.204116" z3="-0.021772">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.487518" y3="-2.651404" z3="-0.039013">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.523623" y3="-1.257704" z3="0.000941">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.885273" y3="-0.95835" z3="0.04517">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.677591" y3="2.148791" z3="0.037894">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-2.806447" y3="3.20449" z3="-0.021925">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-0.327353" y3="3.423686" z3="-0.066698">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="0.327128" y3="-3.423472" z3="-0.066633">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.423473" y3="0.32745" z3="0.065998">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.423633" y3="-0.327108" z3="0.066413">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="2.177416" y3="4.767294" z3="-0.065721">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="4.268928" y3="3.040038" z3="0.044251">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-2.176472" y3="-4.766906" z3="-0.065784">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-4.269196" y3="-3.039435" z3="0.044465">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.767028" y3="-2.176108" z3="0.065693">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="3.039572" y3="-4.268913" z3="-0.04436">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.767189" y3="2.177743" z3="0.065881">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-3.039954" y3="4.269236" z3="-0.044448">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="0.468663" y3="-4.90251" z3="-0.13366">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="0.558489" y3="-5.539988" z3="-1.381845">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="0.517985" y3="-5.729939" z3="1.000562">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="0.690062" y3="-6.921893" z3="-1.499524">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="0.648464" y3="-7.117301" z3="0.903899">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="0.734808" y3="-7.713249" z3="-0.352468">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="0.522105" y3="-4.917445" z3="-2.280669">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="0.756651" y3="-7.380599" z3="-2.48887">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="0.682382" y3="-7.728224" z3="1.808202">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="0.836935" y3="-8.798375" z3="-0.428371">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.902622" y3="-0.468799" z3="0.133534">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.538909" y3="-0.560557" z3="1.382413">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.730979" y3="-0.516707" z3="-0.999702">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.920628" y3="-0.69265" z3="1.500916">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-7.118275" y3="-0.647848" z3="-0.902319">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.713085" y3="-0.735552" z3="0.354464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.915126" y3="-0.525508" z3="2.2804">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-7.378561" y3="-0.761167" z3="2.490511">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.729734" y3="-0.681351" z3="-1.806263">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.798126" y3="-0.837917" z3="0.431242">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-0.468936" y3="4.902742" z3="-0.132819">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-0.516284" y3="5.729603" z3="1.001941">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-0.56107" y3="5.540931" z3="-1.380471">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-0.647222" y3="7.116883" z3="0.906376">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-0.693097" y3="6.922881" z3="-1.497214">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-0.735417" y3="7.713524" z3="-0.349691">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-0.526501" y3="4.919025" z3="-2.279812">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-0.680226" y3="7.7278" z3="1.810694">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-0.761982" y3="7.382169" z3="-2.486135">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-0.837634" y3="8.79878" z3="-0.423674">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.902507" y3="0.469075" z3="0.132523">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.72964" y3="0.517225" z3="-1.001974">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.540451" y3="0.560165" z3="1.38042">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="7.116937" y3="0.647992" z3="-0.905974">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.92247" y3="0.691176" z3="1.49764">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.713288" y3="0.73588" z3="0.350289">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.918316" y3="0.524643" z3="2.279569">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.728118" y3="0.681077" z3="-1.810114">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="7.381628" y3="0.758577" z3="2.486725">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.798497" y3="0.838301" z3="0.424625">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.970398" y3="-0.402472" z3="-2.745451">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-0.401092" y3="4.966751" z3="2.746343">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.96728" y3="0.402952" z3="-2.746652">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="0.405382" y3="-4.968293" z3="2.745581">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.000122" y3="0.000107" z3="-0.000407">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.4878,2.6517,-.0393;-1.5238,1.2579,.0008;-2.8855,.9587,.045;2.1485,3.6777,-.0382;3.2042,2.8065,.0215;2.6514,1.4879,.0384;1.2577,1.5239,-.0016;.9584,2.8856,-.0456;-2.1489,-3.6773,-.0381;-3.2044,-2.806,.0216;-2.6516,-1.4874,.0388;-1.2579,-1.5236,-.0015;-.9587,-2.8852,-.0457;3.6774,-2.1486,.0379;2.8062,-3.2041,-.0218;1.4875,-2.6514,-.039;1.5236,-1.2577,.0009;2.8853,-.9584,.0452;-3.6776,2.1488,.0379;-2.8064,3.2045,-.0219;-.3274,3.4237,-.0667;.3271,-3.4235,-.0666;3.4235,.3275,.066;-3.4236,-.3271,.0664;2.1774,4.7673,-.0657;4.2689,3.04,.0443;-2.1765,-4.7669,-.0658;-4.2692,-3.0394,.0445;4.767,-2.1761,.0657;3.0396,-4.2689,-.0444;-4.7672,2.1777,.0659;-3.04,4.2692,-.0444;.4687,-4.9025,-.1337;.5585,-5.54,-1.3818;.518,-5.7299,1.0006;.6901,-6.9219,-1.4995;.6485,-7.1173,.9039;.7348,-7.7132,-.3525;.5221,-4.9174,-2.2807;.7567,-7.3806,-2.4889;.6824,-7.7282,1.8082;.8369,-8.7984,-.4284;-4.9026,-.4688,.1335;-5.5389,-.5606,1.3824;-5.731,-.5167,-.9997;-6.9206,-.6926,1.5009;-7.1183,-.6478,-.9023;-7.7131,-.7356,.3545;-4.9151,-.5255,2.2804;-7.3786,-.7612,2.4905;-7.7297,-.6814,-1.8063;-8.7981,-.8379,.4312;-.4689,4.9027,-.1328;-.5163,5.7296,1.0019;-.5611,5.5409,-1.3805;-.6472,7.1169,.9064;-.6931,6.9229,-1.4972;-.7354,7.7135,-.3497;-.5265,4.919,-2.2798;-.6802,7.7278,1.8107;-.762,7.3822,-2.4861;-.8376,8.7988,-.4237;4.9025,.4691,.1325;5.7296,.5172,-1.002;5.5405,.5602,1.3804;7.1169,.648,-.906;6.9225,.6912,1.4976;7.7133,.7359,.3503;4.9183,.5246,2.2796;7.7281,.6811,-1.8101;7.3816,.7586,2.4867;8.7985,.8383,.4246;-4.9704,-.4025,-2.7455;-.4011,4.9668,2.7463;4.9673,.403,-2.7467;.4054,-4.9683,2.7456;-.0001,.0001,-.0004;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340067 0.0340027 0.0208356</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.020157" y3="0.292103" z3="-0.031666">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.901285" y3="-0.533323" z3="-0.002271">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.434485" y3="-1.82293" z3="0.048578">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-1.782882" y3="3.862602" z3="-0.032518">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-0.46422" y3="4.228954" z3="0.022114">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="0.297551" y3="3.019438" z3="0.038262">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.527444" y3="1.899986" z3="0.006182">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.817032" y3="2.433023" z3="-0.040985">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="1.785837" y3="-3.87125" z3="-0.035026">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="0.466175" y3="-4.236425" z3="0.020951">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-0.293597" y3="-3.026772" z3="0.040183">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.531703" y3="-1.908404" z3="0.006888">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.821189" y3="-2.442107" z3="-0.043558">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.870265" y3="1.779163" z3="0.028087">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.235455" y3="0.459929" z3="-0.028263">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="3.025818" y3="-0.300585" z3="-0.042329">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.907122" y3="0.525295" z3="-0.00844">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.440801" y3="1.81464" z3="0.03969">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.864256" y3="-1.787455" z3="0.047617">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.230065" y3="-0.468674" z3="-0.008285">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.992322" y3="1.685865" z3="-0.060848">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.996979" y3="-1.694131" z3="-0.069779">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="1.692787" y3="2.991225" z3="0.065249">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-1.687077" y3="-2.99861" z3="0.069494">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-2.659851" y3="4.509015" z3="-0.06536">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-0.049039" y3="5.238202" z3="0.029042">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="2.659342" y3="-4.522197" z3="-0.0699">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="0.049908" y3="-5.245259" z3="0.026892">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.520683" y3="2.653131" z3="0.060536">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.244532" y3="0.044078" z3="-0.037222">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.51106" y3="-2.663865" z3="0.08703">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.23905" y3="-0.052687" z3="-0.010251">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="4.298711" y3="-2.415122" z3="-0.138831">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.879662" y3="-2.701665" z3="-1.38424">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="5.013195" y3="-2.83549" z3="1.000349">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="6.100617" y3="-3.365117" z3="-1.495285">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="6.237528" y3="-3.499012" z3="0.90853">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="6.782867" y3="-3.762148" z3="-0.346186">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.346373" y3="-2.3873" z3="-2.285733">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="6.522735" y3="-3.570229" z3="-2.48202">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="6.764845" y3="-3.806638" z3="1.814772">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="7.740878" y3="-4.282359" z3="-0.419195">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-2.407789" y3="-4.30007" z3="0.131257">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-2.667328" y3="-4.910525" z3="1.366754">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-2.851696" y3="-4.986454" z3="-1.016901">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-3.329989" y3="-6.1332" z3="1.462199">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-3.513312" y3="-6.211983" z3="-0.940273">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-3.753102" y3="-6.785949" z3="0.306228">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-2.333443" y3="-4.400487" z3="2.274706">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-3.51486" y3="-6.578295" z3="2.442763">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-3.838057" y3="-6.719278" z3="-1.85199">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-4.272125" y3="-7.745458" z3="0.366484">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-4.293751" y3="2.40807" z3="-0.121244">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-5.000302" y3="2.827548" z3="1.023379">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.882506" y3="2.696584" z3="-1.363203">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-6.226296" y3="3.49232" z3="0.94085">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-6.104842" y3="3.361457" z3="-1.465178">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-6.779259" y3="3.758987" z3="-0.310592">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.355132" y3="2.382395" z3="-2.268224">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-6.746482" y3="3.797932" z3="1.852004">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-6.53338" y3="3.567926" z3="-2.44888">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-7.737427" y3="4.279498" z3="-0.379381">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="2.414432" y3="4.292826" z3="0.130802">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="2.830425" y3="5.004796" z3="-1.009627">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="2.705348" y3="4.874483" z3="1.373559">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="3.493078" y3="6.2286" z3="-0.921864">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="3.37031" y3="6.093043" z3="1.4802">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="3.759353" y3="6.775333" z3="0.330043">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="2.394303" y3="4.342045" z3="2.276619">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="3.796468" y3="6.753911" z3="-1.830727">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="3.579418" y3="6.516079" z3="2.46565">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="4.279086" y3="7.733584" z3="0.402746">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-2.559534" y3="-4.244625" z3="-2.747779">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-4.284508" y3="2.50612" z3="2.760633">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="2.506184" y3="4.29843" z3="-2.749949">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.30968" y3="-2.519309" z3="2.744007">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.002853" y3="-0.003925" z3="-0.000576">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.0202,.2921,-.0317;-1.9013,-.5333,-.0023;-2.4345,-1.8229,.0486;-1.7829,3.8626,-.0325;-.4642,4.229,.0221;.2976,3.0194,.0383;-.5274,1.9,.0062;-1.817,2.433,-.041;1.7858,-3.8712,-.035;.4662,-4.2364,.021;-.2936,-3.0268,.0402;.5317,-1.9084,.0069;1.8212,-2.4421,-.0436;3.8703,1.7792,.0281;4.2355,.4599,-.0283;3.0258,-.3006,-.0423;1.9071,.5253,-.0084;2.4408,1.8146,.0397;-3.8643,-1.7875,.0476;-4.2301,-.4687,-.0083;-2.9923,1.6859,-.0608;2.997,-1.6941,-.0698;1.6928,2.9912,.0652;-1.6871,-2.9986,.0695;-2.6599,4.509,-.0654;-.049,5.2382,.029;2.6593,-4.5222,-.0699;.0499,-5.2453,.0269;4.5207,2.6531,.0605;5.2445,.0441,-.0372;-4.5111,-2.6639,.087;-5.239,-.0527,-.0103;4.2987,-2.4151,-.1388;4.8797,-2.7017,-1.3842;5.0132,-2.8355,1.0003;6.1006,-3.3651,-1.4953;6.2375,-3.499,.9085;6.7829,-3.7621,-.3462;4.3464,-2.3873,-2.2857;6.5227,-3.5702,-2.482;6.7648,-3.8066,1.8148;7.7409,-4.2824,-.4192;-2.4078,-4.3001,.1313;-2.6673,-4.9105,1.3668;-2.8517,-4.9865,-1.0169;-3.33,-6.1332,1.4622;-3.5133,-6.212,-.9403;-3.7531,-6.7859,.3062;-2.3334,-4.4005,2.2747;-3.5149,-6.5783,2.4428;-3.8381,-6.7193,-1.852;-4.2721,-7.7455,.3665;-4.2938,2.4081,-.1212;-5.0003,2.8275,1.0234;-4.8825,2.6966,-1.3632;-6.2263,3.4923,.9408;-6.1048,3.3615,-1.4652;-6.7793,3.759,-.3106;-4.3551,2.3824,-2.2682;-6.7465,3.7979,1.852;-6.5334,3.5679,-2.4489;-7.7374,4.2795,-.3794;2.4144,4.2928,.1308;2.8304,5.0048,-1.0096;2.7053,4.8745,1.3736;3.4931,6.2286,-.9219;3.3703,6.093,1.4802;3.7594,6.7753,.33;2.3943,4.342,2.2766;3.7965,6.7539,-1.8307;3.5794,6.5161,2.4657;4.2791,7.7336,.4027;-2.5595,-4.2446,-2.7478;-4.2845,2.5061,2.7606;2.5062,4.2984,-2.7499;4.3097,-2.5193,2.744;.0029,-.0039,-.0006;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340766 0.0339654 0.0208570</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.026765" y3="-0.286183" z3="-0.019593">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.767172" y3="-0.885276" z3="0.005412">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.044847" y3="-2.251207" z3="0.037153">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-2.490191" y3="3.45464" z3="-0.03424">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-1.265219" y3="4.067007" z3="0.003341">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-0.283786" y3="3.026709" z3="0.02321">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.883142" y3="1.767226" z3="-0.001531">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-2.249064" y3="2.044996" z3="-0.03361">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="2.492183" y3="-3.456872" z3="-0.035923">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="1.267316" y3="-4.069121" z3="0.002153">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="0.286285" y3="-3.028645" z3="0.021523">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.885217" y3="-1.768998" z3="-0.002902">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="2.250959" y3="-2.047187" z3="-0.035885">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.457559" y3="2.489236" z3="0.036737">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.069682" y3="1.264369" z3="-0.001434">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="3.028797" y3="0.283642" z3="-0.020996">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.769216" y3="0.882872" z3="0.004917">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.047726" y3="2.248483" z3="0.037024">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.454359" y3="-2.492804" z3="0.035322">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.066811" y3="-1.267833" z3="-0.00185">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-3.262037" y3="1.087985" z3="-0.038888">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="3.263863" y3="-1.090254" z3="-0.041053">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="1.090718" y3="3.261804" z3="0.042175">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-1.08776" y3="-3.263864" z3="0.041666">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-3.473853" y3="3.924276" z3="-0.05674">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-1.046839" y3="5.135267" z3="0.01126">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="3.476313" y3="-3.925573" z3="-0.057979">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="1.048393" y3="-5.13727" z3="0.01099">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="3.926381" y3="3.473283" z3="0.058809">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.137811" y3="1.045222" z3="-0.010343">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-3.923831" y3="-3.476604" z3="0.055637">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.135105" y3="-1.049628" z3="-0.011559">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="4.674707" y3="-1.557793" z3="-0.085463">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="5.311679" y3="-1.734686" z3="-1.324414">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="5.437103" y3="-1.838199" z3="1.060824">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="6.63218" y3="-2.168322" z3="-1.421605">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="6.763614" y3="-2.267824" z3="0.984403">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="7.360653" y3="-2.435341" z3="-0.263263">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.739369" y3="-1.520912" z3="-2.231749">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="7.09311" y3="-2.295889" z3="-2.404043">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="7.326276" y3="-2.470666" z3="1.897488">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="8.398624" y3="-2.77168" z3="-0.323075">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-1.556503" y3="-4.674272" z3="0.083237">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-1.736607" y3="-5.315267" z3="1.31969">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-1.836984" y3="-5.431891" z3="-1.065939">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-2.171432" y3="-6.635535" z3="1.411577">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-2.268264" y3="-6.758042" z3="-0.995148">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-2.435922" y3="-7.359889" z3="0.250184">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-1.523932" y3="-4.746239" z3="2.229329">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-2.301245" y3="-7.100174" z3="2.391973">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-2.472066" y3="-7.316552" z3="-1.91053">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-2.773523" y3="-8.397655" z3="0.306196">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-4.672813" y3="1.556071" z3="-0.082391">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-5.434837" y3="1.835617" z3="1.06469">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-5.309942" y3="1.734909" z3="-1.320775">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-6.760916" y3="2.266859" z3="0.988762">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-6.630241" y3="2.170213" z3="-1.417344">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-7.35858" y3="2.435544" z3="-0.258669">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.737859" y3="1.522141" z3="-2.22849">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-7.323475" y3="2.469418" z3="1.901962">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-7.090714" y3="2.299809" z3="-2.399731">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-8.396228" y3="2.773055" z3="-0.317676">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="1.558767" y3="4.672603" z3="0.084565">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="1.836694" y3="5.434141" z3="-1.062817">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="1.737653" y3="5.310303" z3="1.32237">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="2.266702" y3="6.760166" z3="-0.987817">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="2.169897" y3="6.631073" z3="1.417951">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="2.437445" y3="7.357685" z3="0.259115">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="1.52526" y3="4.738694" z3="2.23046">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="2.467683" y3="7.32261" z3="-1.901432">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="2.298769" y3="7.092392" z3="2.40002">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="2.77416" y3="8.395614" z3="0.317473">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-1.635317" y3="-4.651833" z3="-2.794847">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-4.66599" y3="1.625743" z3="2.798366">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="1.624464" y3="4.66486" z3="-2.796069">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.668368" y3="-1.630326" z3="2.794703">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000942" y3="-0.001055" z3="0.002068">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.0268,-.2862,-.0196;-1.7672,-.8853,.0054;-2.0448,-2.2512,.0372;-2.4902,3.4546,-.0342;-1.2652,4.067,.0033;-.2838,3.0267,.0232;-.8831,1.7672,-.0015;-2.2491,2.045,-.0336;2.4922,-3.4569,-.0359;1.2673,-4.0691,.0022;.2863,-3.0286,.0215;.8852,-1.769,-.0029;2.251,-2.0472,-.0359;3.4576,2.4892,.0367;4.0697,1.2644,-.0014;3.0288,.2836,-.021;1.7692,.8829,.0049;2.0477,2.2485,.037;-3.4544,-2.4928,.0353;-4.0668,-1.2678,-.0019;-3.262,1.088,-.0389;3.2639,-1.0903,-.0411;1.0907,3.2618,.0422;-1.0878,-3.2639,.0417;-3.4739,3.9243,-.0567;-1.0468,5.1353,.0113;3.4763,-3.9256,-.058;1.0484,-5.1373,.011;3.9264,3.4733,.0588;5.1378,1.0452,-.0103;-3.9238,-3.4766,.0556;-5.1351,-1.0496,-.0116;4.6747,-1.5578,-.0855;5.3117,-1.7347,-1.3244;5.4371,-1.8382,1.0608;6.6322,-2.1683,-1.4216;6.7636,-2.2678,.9844;7.3607,-2.4353,-.2633;4.7394,-1.5209,-2.2317;7.0931,-2.2959,-2.404;7.3263,-2.4707,1.8975;8.3986,-2.7717,-.3231;-1.5565,-4.6743,.0832;-1.7366,-5.3153,1.3197;-1.837,-5.4319,-1.0659;-2.1714,-6.6355,1.4116;-2.2683,-6.758,-.9951;-2.4359,-7.3599,.2502;-1.5239,-4.7462,2.2293;-2.3012,-7.1002,2.392;-2.4721,-7.3166,-1.9105;-2.7735,-8.3977,.3062;-4.6728,1.5561,-.0824;-5.4348,1.8356,1.0647;-5.3099,1.7349,-1.3208;-6.7609,2.2669,.9888;-6.6302,2.1702,-1.4173;-7.3586,2.4355,-.2587;-4.7379,1.5221,-2.2285;-7.3235,2.4694,1.902;-7.0907,2.2998,-2.3997;-8.3962,2.7731,-.3177;1.5588,4.6726,.0846;1.8367,5.4341,-1.0628;1.7377,5.3103,1.3224;2.2667,6.7602,-.9878;2.1699,6.6311,1.418;2.4374,7.3577,.2591;1.5253,4.7387,2.2305;2.4677,7.3226,-1.9014;2.2988,7.0924,2.4;2.7742,8.3956,.3175;-1.6353,-4.6518,-2.7948;-4.666,1.6257,2.7984;1.6245,4.6649,-2.7961;4.6684,-1.6303,2.7947;.0009,-.0011,.0021;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339949 0.0339590 0.0209478</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.038452" y3="-0.070029" z3="-0.021619">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.825449" y3="-0.757067" z3="0.004122">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.199887" y3="-2.100009" z3="0.039113">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-2.236762" y3="3.623017" z3="-0.033925">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-0.97128" y3="4.146198" z3="0.006551">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-0.067122" y3="3.038249" z3="0.025783">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.754286" y3="1.82526" z3="-0.000205">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-2.097204" y3="2.199743" z3="-0.03484">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="2.238933" y3="-3.626393" z3="-0.035791">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="0.973349" y3="-4.149302" z3="0.005339">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="0.069869" y3="-3.041166" z3="0.0247">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.75677" y3="-1.828196" z3="-0.00124">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="2.099513" y3="-2.203129" z3="-0.037201">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.626746" y3="2.235313" z3="0.035252">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.149547" y3="0.96981" z3="-0.006019">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="3.041105" y3="0.066482" z3="-0.024643">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.828138" y3="0.753716" z3="0.002638">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.203328" y3="2.096306" z3="0.037469">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.623135" y3="-2.239753" z3="0.03745">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.146289" y3="-0.974229" z3="-0.002903">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-3.175618" y3="1.317351" z3="-0.042595">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="3.177944" y3="-1.320642" z3="-0.04596">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="1.320782" y3="3.175217" z3="0.046101">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-1.317365" y3="-3.178233" z3="0.046411">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-3.184524" y3="4.161259" z3="-0.058177">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-0.677762" y3="5.19647" z3="0.0143">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="3.186648" y3="-4.164728" z3="-0.060047">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="0.679199" y3="-5.199403" z3="0.013684">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.165076" y3="3.183015" z3="0.0591">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.19965" y3="0.675546" z3="-0.014943">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.161333" y3="-3.187566" z3="0.061022">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.196578" y3="-0.680722" z3="-0.011286">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="4.55272" y3="-1.88637" z3="-0.094565">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="5.17348" y3="-2.107036" z3="-1.334627">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="5.296473" y3="-2.220026" z3="1.050529">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="6.460652" y3="-2.63128" z3="-1.434176">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="6.589426" y3="-2.741244" z3="0.971485">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="7.171205" y3="-2.94856" z3="-0.277395">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.615893" y3="-1.853999" z3="-2.240974">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="6.910125" y3="-2.790187" z3="-2.417351">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="7.138521" y3="-2.98365" z3="1.883417">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="8.182929" y3="-3.356714" z3="-0.339456">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-1.884028" y3="-4.552513" z3="0.091415">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-2.102392" y3="-5.180898" z3="1.327786">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-2.221979" y3="-5.288015" z3="-1.057641">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-2.627386" y3="-6.468096" z3="1.420308">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-2.744158" y3="-6.580746" z3="-0.985837">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-2.94732" y3="-7.170894" z3="0.259776">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-1.846712" y3="-4.629516" z3="2.237178">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-2.784462" y3="-6.924012" z3="2.400799">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-2.990402" y3="-7.123293" z3="-1.900632">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-3.35624" y3="-8.182609" z3="0.316522">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-4.55026" y3="1.883741" z3="-0.088958">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-5.292377" y3="2.216674" z3="1.057717">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-5.172408" y3="2.106204" z3="-1.327947">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-6.585173" y3="2.739387" z3="0.980679">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-6.459569" y3="2.632032" z3="-1.425423">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-7.168771" y3="2.948151" z3="-0.267434">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.615971" y3="1.853922" z3="-2.235211">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-7.132937" y3="2.981354" z3="1.893539">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-6.909668" y3="2.792694" z3="-2.408031">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-8.180184" y3="3.357308" z3="-0.328097">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="1.887041" y3="4.549914" z3="0.092424">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="2.217896" y3="5.292585" z3="-1.053793">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="2.110133" y3="5.171369" z3="1.331077">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="2.739266" y3="6.585004" z3="-0.97663">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="2.633544" y3="6.458464" z3="1.428534">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="2.949793" y3="7.167297" z3="0.271154">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="1.858831" y3="4.614496" z3="2.238321">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="2.979431" y3="7.133598" z3="-1.889449">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="2.794222" y3="6.908418" z3="2.41118">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="3.358169" y3="8.178998" z3="0.331949">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-1.974708" y3="-4.522929" z3="-2.78699">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-4.540869" y3="1.957758" z3="2.792017">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="1.956326" y3="4.542403" z3="-2.788269">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.547134" y3="-1.963414" z3="2.786112">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.001273" y3="-0.001537" z3="0.001623">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.0385,-.07,-.0216;-1.8254,-.7571,.0041;-2.1999,-2.1,.0391;-2.2368,3.623,-.0339;-.9713,4.1462,.0066;-.0671,3.0382,.0258;-.7543,1.8253,-.0002;-2.0972,2.1997,-.0348;2.2389,-3.6264,-.0358;.9733,-4.1493,.0053;.0699,-3.0412,.0247;.7568,-1.8282,-.0012;2.0995,-2.2031,-.0372;3.6267,2.2353,.0353;4.1495,.9698,-.006;3.0411,.0665,-.0246;1.8281,.7537,.0026;2.2033,2.0963,.0375;-3.6231,-2.2398,.0374;-4.1463,-.9742,-.0029;-3.1756,1.3174,-.0426;3.1779,-1.3206,-.046;1.3208,3.1752,.0461;-1.3174,-3.1782,.0464;-3.1845,4.1613,-.0582;-.6778,5.1965,.0143;3.1866,-4.1647,-.06;.6792,-5.1994,.0137;4.1651,3.183,.0591;5.1997,.6755,-.0149;-4.1613,-3.1876,.061;-5.1966,-.6807,-.0113;4.5527,-1.8864,-.0946;5.1735,-2.107,-1.3346;5.2965,-2.22,1.0505;6.4607,-2.6313,-1.4342;6.5894,-2.7412,.9715;7.1712,-2.9486,-.2774;4.6159,-1.854,-2.241;6.9101,-2.7902,-2.4174;7.1385,-2.9836,1.8834;8.1829,-3.3567,-.3395;-1.884,-4.5525,.0914;-2.1024,-5.1809,1.3278;-2.222,-5.288,-1.0576;-2.6274,-6.4681,1.4203;-2.7442,-6.5807,-.9858;-2.9473,-7.1709,.2598;-1.8467,-4.6295,2.2372;-2.7845,-6.924,2.4008;-2.9904,-7.1233,-1.9006;-3.3562,-8.1826,.3165;-4.5503,1.8837,-.089;-5.2924,2.2167,1.0577;-5.1724,2.1062,-1.3279;-6.5852,2.7394,.9807;-6.4596,2.632,-1.4254;-7.1688,2.9482,-.2674;-4.616,1.8539,-2.2352;-7.1329,2.9814,1.8935;-6.9097,2.7927,-2.408;-8.1802,3.3573,-.3281;1.887,4.5499,.0924;2.2179,5.2926,-1.0538;2.1101,5.1714,1.3311;2.7393,6.585,-.9766;2.6335,6.4585,1.4285;2.9498,7.1673,.2712;1.8588,4.6145,2.2383;2.9794,7.1336,-1.8894;2.7942,6.9084,2.4112;3.3582,8.179,.3319;-1.9747,-4.5229,-2.787;-4.5409,1.9578,2.792;1.9563,4.5424,-2.7883;4.5471,-1.9634,2.7861;.0013,-.0015,.0016;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340081 0.0339608 0.0209321</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.776332" y3="2.926236" z3="-0.006782">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.156555" y3="1.580154" z3="0.005301">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.551756" y3="1.628991" z3="0.034657">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="2.998592" y3="3.038968" z3="-0.070906">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="3.807235" y3="1.93034" z3="-0.063739">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.951972" y3="0.788846" z3="0.004068">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="1.605329" y3="1.168443" z3="-0.022982">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="1.653694" y3="2.563233" z3="-0.050927">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-2.950951" y3="-3.056679" z3="-0.123172">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-3.765644" y3="-1.9504" z3="-0.116053">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.914646" y3="-0.802636" z3="-0.026098">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-1.566945" y3="-1.181627" z3="-0.045481">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-1.610991" y3="-2.577727" z3="-0.077969">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.074081" y3="-2.9716" z3="0.080925">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="1.967537" y3="-3.786854" z3="0.068788">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="0.820347" y3="-2.937504" z3="-0.012882">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.196591" y3="-1.590522" z3="0.006703">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.592949" y3="-1.632718" z3="0.047207">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.025519" y3="2.973427" z3="0.084195">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-1.917469" y3="3.781657" z3="0.080933">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="0.533375" y3="3.397768" z3="-0.03029">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="-0.491624" y3="-3.410033" z3="-0.048714">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.421887" y3="-0.515122" z3="0.034581">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.388065" y3="0.509304" z3="0.003144">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="3.272547" y3="4.094718" z3="-0.083761">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="4.89592" y3="1.904602" z3="-0.100415">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-3.236129" y3="-4.10933" z3="-0.153971">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-4.85293" y3="-1.932047" z3="-0.171077">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.126853" y3="-3.257349" z3="0.10801">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="1.950063" y3="-4.874594" z3="0.113483">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.081122" y3="3.247283" z3="0.112691">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-1.890576" y3="4.869197" z3="0.138286">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="-0.74678" y3="-4.874111" z3="-0.056638">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="-0.765857" y3="-5.587593" z3="-1.267345">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="-0.986544" y3="-5.611865" z3="1.10744">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="-1.000679" y3="-6.957616" z3="-1.315335">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="-1.258645" y3="-6.983261" z3="1.084501">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="-1.253944" y3="-7.658481" z3="-0.13413">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="-0.583183" y3="-5.030513" z3="-2.191883">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="-0.994934" y3="-7.478537" z3="-2.27517">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="-1.474417" y3="-7.51682" z3="2.01345">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="-1.472707" y3="-8.727955" z3="-0.151596">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.856806" y3="0.749531" z3="0.050505">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.517545" y3="0.74905" z3="1.290145">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.654235" y3="0.979344" z3="-1.081024">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.887319" y3="0.976528" z3="1.405362">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-7.025743" y3="1.24317" z3="-0.988011">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.644209" y3="1.238256" z3="0.260302">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.919699" y3="0.567599" z3="2.189443">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-7.358207" y3="0.965454" z3="2.39045">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.605781" y3="1.454567" z3="-1.889952">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.713955" y3="1.447014" z3="0.324863">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="0.779923" y3="4.863519" z3="-0.067837">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="0.956611" y3="5.643118" z3="1.076478">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="0.850881" y3="5.535302" z3="-1.301335">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="1.219411" y3="7.013978" z3="1.018418">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="1.076243" y3="6.900208" z3="-1.384544">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="1.2687" y3="7.644009" z3="-0.21739">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="0.71757" y3="4.944437" z3="-2.213142">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="1.39059" y3="7.574908" z3="1.940767">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="1.11493" y3="7.389161" z3="-2.360146">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="1.476657" y3="8.714338" z3="-0.269375">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.886468" y3="-0.765325" z3="0.077129">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.663962" y3="-0.97203" z3="-1.070804">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.563457" y3="-0.818843" z3="1.313232">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="7.040892" y3="-1.243788" z3="-1.012285">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.936322" y3="-1.053814" z3="1.397111">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.678731" y3="-1.269788" z3="0.226308">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.976062" y3="-0.66501" z3="2.224237">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.598524" y3="-1.432985" z3="-1.933209">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="7.428905" y3="-1.074251" z3="2.3717">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.747208" y3="-1.488179" z3="0.278694">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.891087" y3="0.917275" z3="-2.832667">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="0.873419" y3="4.826076" z3="2.799425">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.8355" y3="-0.935268" z3="-2.78975">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="-0.991596" y3="-4.724926" z3="2.798176">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.01957" y3="-0.005896" z3="-0.018304">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.7763,2.9262,-.0068;-1.1566,1.5802,.0053;-2.5518,1.629,.0347;2.9986,3.039,-.0709;3.8072,1.9303,-.0637;2.952,.7888,.0041;1.6053,1.1684,-.023;1.6537,2.5632,-.0509;-2.951,-3.0567,-.1232;-3.7656,-1.9504,-.1161;-2.9146,-.8026,-.0261;-1.5669,-1.1816,-.0455;-1.611,-2.5777,-.078;3.0741,-2.9716,.0809;1.9675,-3.7869,.0688;.8203,-2.9375,-.0129;1.1966,-1.5905,.0067;2.5929,-1.6327,.0472;-3.0255,2.9734,.0842;-1.9175,3.7817,.0809;.5334,3.3978,-.0303;-.4916,-3.41,-.0487;3.4219,-.5151,.0346;-3.3881,.5093,.0031;3.2725,4.0947,-.0838;4.8959,1.9046,-.1004;-3.2361,-4.1093,-.154;-4.8529,-1.932,-.1711;4.1269,-3.2573,.108;1.9501,-4.8746,.1135;-4.0811,3.2473,.1127;-1.8906,4.8692,.1383;-.7468,-4.8741,-.0566;-.7659,-5.5876,-1.2673;-.9865,-5.6119,1.1074;-1.0007,-6.9576,-1.3153;-1.2586,-6.9833,1.0845;-1.2539,-7.6585,-.1341;-.5832,-5.0305,-2.1919;-.9949,-7.4785,-2.2752;-1.4744,-7.5168,2.0135;-1.4727,-8.728,-.1516;-4.8568,.7495,.0505;-5.5175,.749,1.2901;-5.6542,.9793,-1.081;-6.8873,.9765,1.4054;-7.0257,1.2432,-.988;-7.6442,1.2383,.2603;-4.9197,.5676,2.1894;-7.3582,.9655,2.3904;-7.6058,1.4546,-1.89;-8.714,1.447,.3249;.7799,4.8635,-.0678;.9566,5.6431,1.0765;.8509,5.5353,-1.3013;1.2194,7.014,1.0184;1.0762,6.9002,-1.3845;1.2687,7.644,-.2174;.7176,4.9444,-2.2131;1.3906,7.5749,1.9408;1.1149,7.3892,-2.3601;1.4767,8.7143,-.2694;4.8865,-.7653,.0771;5.664,-.972,-1.0708;5.5635,-.8188,1.3132;7.0409,-1.2438,-1.0123;6.9363,-1.0538,1.3971;7.6787,-1.2698,.2263;4.9761,-.665,2.2242;7.5985,-1.433,-1.9332;7.4289,-1.0743,2.3717;8.7472,-1.4882,.2787;-4.8911,.9173,-2.8327;.8734,4.8261,2.7994;4.8355,-.9353,-2.7898;-.9916,-4.7249,2.7982;.0196,-.0059,-.0183;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0342136 0.0338603 0.0210128</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.951965" y3="2.880972" z3="-0.016484">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.256159" y3="1.522509" z3="-0.008177">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.651498" y3="1.488422" z3="0.008004">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="2.815637" y3="3.200229" z3="-0.000698">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="3.684982" y3="2.143053" z3="0.017382">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.888397" y3="0.954656" z3="0.017946">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="1.529592" y3="1.25821" z3="0.002563">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="1.495063" y3="2.653371" z3="-0.013274">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-2.80612" y3="-3.20488" z3="-0.016578">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-3.675494" y3="-2.147198" z3="-0.000464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.878726" y3="-0.959062" z3="0.00605">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-1.520466" y3="-1.262932" z3="-0.004753">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-1.486041" y3="-2.658135" z3="-0.022379">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.207065" y3="-2.813767" z3="0.006974">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="2.149576" y3="-3.683267" z3="-0.012532">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="0.961437" y3="-2.886581" z3="-0.018464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.265105" y3="-1.527962" z3="-0.006269">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.660198" y3="-1.493329" z3="0.014872">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.197628" y3="2.809477" z3="0.006137">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-2.140144" y3="3.678383" z3="-0.00911">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="0.333597" y3="3.422667" z3="-0.01629">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="-0.324432" y3="-3.427507" z3="-0.023502">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.429762" y3="-0.331264" z3="0.021345">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.421061" y3="0.32623" z3="0.008214">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="3.052584" y3="4.264182" z3="-0.008277">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="4.775546" y3="2.171761" z3="0.015046">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-3.044482" y3="-4.268476" z3="-0.02773">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-4.765922" y3="-2.175677" z3="-0.008677">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.270718" y3="-3.051753" z3="0.019306">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="2.178425" y3="-4.77384" z3="-0.007048">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.261533" y3="3.046738" z3="0.019068">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-2.168127" y3="4.76889" z3="0.001328">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="-0.460684" y3="-4.909221" z3="-0.048957">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="-0.520984" y3="-5.591448" z3="-1.27432">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="-0.524606" y3="-5.695996" z3="1.114074">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="-0.633178" y3="-6.978346" z3="-1.341018">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="-0.633857" y3="-7.086937" z3="1.069585">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="-0.686178" y3="-7.729246" z3="-0.166753">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="-0.474866" y3="-5.002285" z3="-2.194597">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="-0.675326" y3="-7.475007" z3="-2.313384">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="-0.676137" y3="-7.665364" z3="1.995654">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="-0.772537" y3="-8.817698" z3="-0.206051">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.903007" y3="0.459006" z3="0.038089">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.583453" y3="0.51065" z3="1.264002">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.691644" y3="0.524176" z3="-1.123867">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.970558" y3="0.620229" z3="1.33309">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-7.082575" y3="0.629164" z3="-1.07675">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.72301" y3="0.678393" z3="0.16042">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.993001" y3="0.461692" z3="2.183289">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-7.465503" y3="0.657582" z3="2.306507">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.662977" y3="0.670293" z3="-2.001651">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.81165" y3="0.761276" z3="0.201097">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="0.469359" y3="4.904883" z3="-0.040663">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="0.504544" y3="5.694614" z3="1.122725">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="0.558301" y3="5.585354" z3="-1.267673">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="0.613071" y3="7.087975" z3="1.078163">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="0.670744" y3="6.973992" z3="-1.334702">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="0.696105" y3="7.72854" z3="-0.159279">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="0.534505" y3="4.994169" z3="-2.187534">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="0.631947" y3="7.668053" z3="2.00409">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="0.735437" y3="7.468976" z3="-2.306714">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="0.78181" y3="8.817078" z3="-0.198919">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.911537" y3="-0.467364" z3="0.053228">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.705147" y3="-0.512507" z3="-1.105351">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.586088" y3="-0.547212" z3="1.281812">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="7.096043" y3="-0.621135" z3="-1.05392">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.971987" y3="-0.661903" z3="1.355155">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.730528" y3="-0.691795" z3="0.185002">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.991226" y3="-0.516454" z3="2.199025">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.680141" y3="-0.647776" z3="-1.977049">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="7.462938" y3="-0.719865" z3="2.329578">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.818787" y3="-0.777767" z3="0.229879">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.860687" y3="0.475137" z3="-2.841574">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="0.42106" y3="4.863488" z3="2.839465">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.881507" y3="-0.444337" z3="-2.826097">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="-0.485972" y3="-4.861629" z3="2.830713">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.004645" y3="-0.002638" z3="-0.005885">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.952,2.881,-.0165;-1.2562,1.5225,-.0082;-2.6515,1.4884,.008;2.8156,3.2002,-.0007;3.685,2.1431,.0174;2.8884,.9547,.0179;1.5296,1.2582,.0026;1.4951,2.6534,-.0133;-2.8061,-3.2049,-.0166;-3.6755,-2.1472,-.0005;-2.8787,-.9591,.006;-1.5205,-1.2629,-.0048;-1.486,-2.6581,-.0224;3.2071,-2.8138,.007;2.1496,-3.6833,-.0125;.9614,-2.8866,-.0185;1.2651,-1.528,-.0063;2.6602,-1.4933,.0149;-3.1976,2.8095,.0061;-2.1401,3.6784,-.0091;.3336,3.4227,-.0163;-.3244,-3.4275,-.0235;3.4298,-.3313,.0213;-3.4211,.3262,.0082;3.0526,4.2642,-.0083;4.7755,2.1718,.015;-3.0445,-4.2685,-.0277;-4.7659,-2.1757,-.0087;4.2707,-3.0518,.0193;2.1784,-4.7738,-.007;-4.2615,3.0467,.0191;-2.1681,4.7689,.0013;-.4607,-4.9092,-.049;-.521,-5.5914,-1.2743;-.5246,-5.696,1.1141;-.6332,-6.9783,-1.341;-.6339,-7.0869,1.0696;-.6862,-7.7292,-.1668;-.4749,-5.0023,-2.1946;-.6753,-7.475,-2.3134;-.6761,-7.6654,1.9957;-.7725,-8.8177,-.2061;-4.903,.459,.0381;-5.5835,.5107,1.264;-5.6916,.5242,-1.1239;-6.9706,.6202,1.3331;-7.0826,.6292,-1.0768;-7.723,.6784,.1604;-4.993,.4617,2.1833;-7.4655,.6576,2.3065;-7.663,.6703,-2.0017;-8.8117,.7613,.2011;.4694,4.9049,-.0407;.5045,5.6946,1.1227;.5583,5.5854,-1.2677;.6131,7.088,1.0782;.6707,6.974,-1.3347;.6961,7.7285,-.1593;.5345,4.9942,-2.1875;.6319,7.6681,2.0041;.7354,7.469,-2.3067;.7818,8.8171,-.1989;4.9115,-.4674,.0532;5.7051,-.5125,-1.1054;5.5861,-.5472,1.2818;7.096,-.6211,-1.0539;6.972,-.6619,1.3552;7.7305,-.6918,.185;4.9912,-.5165,2.199;7.6801,-.6478,-1.977;7.4629,-.7199,2.3296;8.8188,-.7778,.2299;-4.8607,.4751,-2.8416;.4211,4.8635,2.8395;4.8815,-.4443,-2.8261;-.486,-4.8616,2.8307;.0046,-.0026,-.0059;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340031 0.0339781 0.0210670</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-1.325915" y3="2.735701" z3="-0.037572">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.445689" y3="1.346788" z3="0.000197">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.823028" y3="1.129682" z3="0.042459">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="2.365448" y3="3.542371" z3="-0.035914">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="3.367006" y3="2.609425" z3="0.020384">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.736014" y3="1.32632" z3="0.036275">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="1.347113" y3="1.44598" z3="-0.001631">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="1.129927" y3="2.823322" z3="-0.043519">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-2.365047" y3="-3.542245" z3="-0.035757">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-3.3664" y3="-2.609164" z3="0.020667">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.735385" y3="-1.326091" z3="0.036743">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-1.346538" y3="-1.445972" z3="-0.001407">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-1.129374" y3="-2.823222" z3="-0.043455">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.542622" y3="-2.365323" z3="0.035119">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="2.609558" y3="-3.366727" z3="-0.021173">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.326453" y3="-2.735767" z3="-0.037378">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.446258" y3="-1.346889" z3="0.000265">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.823526" y3="-1.12963" z3="0.042455">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.541992" y3="2.365283" z3="0.035746">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-2.609023" y3="3.366808" z3="-0.020824">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-0.121397" y3="3.437174" z3="-0.063053">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="0.121954" y3="-3.43725" z3="-0.062985">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.437508" y3="0.121749" z3="0.061953">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.436906" y3="-0.121724" z3="0.062413">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="2.459686" y3="4.628297" z3="-0.06203">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="4.443902" y3="2.778858" z3="0.04102">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-2.458132" y3="-4.628247" z3="-0.062011">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-4.443331" y3="-2.778491" z3="0.041253">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.628625" y3="-2.458336" z3="0.061544">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="2.778927" y3="-4.443666" z3="-0.041496">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.627898" y3="2.459569" z3="0.062716">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-2.778408" y3="4.443717" z3="-0.040841">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="0.175137" y3="-4.922309" z3="-0.126645">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="0.224702" y3="-5.567479" z3="-1.373068">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="0.178115" y3="-5.747993" z3="1.009992">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="0.274943" y3="-6.95506" z3="-1.48662">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="0.227321" y3="-7.140824" z3="0.91756">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="0.276184" y3="-7.744413" z3="-0.337262">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="0.222995" y3="-4.946529" z3="-2.273699">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="0.312542" y3="-7.419852" z3="-2.474663">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="0.227587" y3="-7.750082" z3="1.8237">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="0.314681" y3="-8.833859" z3="-0.410186">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.92189" y3="-0.175328" z3="0.126863">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.565537" y3="-0.227469" z3="1.374112">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.74879" y3="-0.176796" z3="-1.008571">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.952934" y3="-0.278408" z3="1.488954">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-7.141531" y3="-0.226948" z3="-0.91493">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.743655" y3="-0.277429" z3="0.340483">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.943167" y3="-0.227327" z3="2.273735">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-7.416694" y3="-0.318245" z3="2.477413">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.751629" y3="-0.226849" z3="-1.820494">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.8330" y3="-0.31642" z3="0.414589">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-0.174677" y3="4.922276" z3="-0.126039">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-0.177752" y3="5.747478" z3="1.011074">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-0.224475" y3="5.568145" z3="-1.372274">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-0.227461" y3="7.140425" z3="0.919452">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-0.275137" y3="6.955908" z3="-1.485195">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-0.275982" y3="7.744692" z3="-0.335346">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-0.222946" y3="4.947783" z3="-2.273318">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-0.22842" y3="7.749687" z3="1.825576">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-0.313354" y3="7.42128" z3="-2.472946">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-0.314618" y3="8.834248" z3="-0.406677">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.922563" y3="0.175037" z3="0.125535">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.748166" y3="0.178189" z3="-1.011113">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.567907" y3="0.224444" z3="1.37192">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="7.140934" y3="0.227713" z3="-0.918887">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.9555" y3="0.273966" z3="1.485444">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.744636" y3="0.276776" z3="0.336011">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.947157" y3="0.222487" z3="2.272695">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.750602" y3="0.228238" z3="-1.824737">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="7.42053" y3="0.311239" z3="2.473389">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.834147" y3="0.315576" z3="0.40782">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.97794" y3="-0.109154" z3="-2.752337">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-0.111604" y3="4.973992" z3="2.753492">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.975491" y3="0.111863" z3="-2.753864">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="0.111307" y3="-4.975636" z3="2.752804">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.00028" y3="-0.000053" z3="-0.000841">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.3259,2.7357,-.0376;-1.4457,1.3468,.0002;-2.823,1.1297,.0425;2.3654,3.5424,-.0359;3.367,2.6094,.0204;2.736,1.3263,.0363;1.3471,1.446,-.0016;1.1299,2.8233,-.0435;-2.365,-3.5422,-.0358;-3.3664,-2.6092,.0207;-2.7354,-1.3261,.0367;-1.3465,-1.446,-.0014;-1.1294,-2.8232,-.0435;3.5426,-2.3653,.0351;2.6096,-3.3667,-.0212;1.3265,-2.7358,-.0374;1.4463,-1.3469,.0003;2.8235,-1.1296,.0425;-3.542,2.3653,.0357;-2.609,3.3668,-.0208;-.1214,3.4372,-.0631;.122,-3.4373,-.063;3.4375,.1217,.062;-3.4369,-.1217,.0624;2.4597,4.6283,-.062;4.4439,2.7789,.041;-2.4581,-4.6282,-.062;-4.4433,-2.7785,.0413;4.6286,-2.4583,.0615;2.7789,-4.4437,-.0415;-4.6279,2.4596,.0627;-2.7784,4.4437,-.0408;.1751,-4.9223,-.1266;.2247,-5.5675,-1.3731;.1781,-5.748,1.01;.2749,-6.9551,-1.4866;.2273,-7.1408,.9176;.2762,-7.7444,-.3373;.223,-4.9465,-2.2737;.3125,-7.4199,-2.4747;.2276,-7.7501,1.8237;.3147,-8.8339,-.4102;-4.9219,-.1753,.1269;-5.5655,-.2275,1.3741;-5.7488,-.1768,-1.0086;-6.9529,-.2784,1.489;-7.1415,-.2269,-.9149;-7.7437,-.2774,.3405;-4.9432,-.2273,2.2737;-7.4167,-.3182,2.4774;-7.7516,-.2268,-1.8205;-8.833,-.3164,.4146;-.1747,4.9223,-.126;-.1778,5.7475,1.0111;-.2245,5.5681,-1.3723;-.2275,7.1404,.9195;-.2751,6.9559,-1.4852;-.276,7.7447,-.3353;-.2229,4.9478,-2.2733;-.2284,7.7497,1.8256;-.3134,7.4213,-2.4729;-.3146,8.8342,-.4067;4.9226,.175,.1255;5.7482,.1782,-1.0111;5.5679,.2244,1.3719;7.1409,.2277,-.9189;6.9555,.274,1.4854;7.7446,.2768,.336;4.9472,.2225,2.2727;7.7506,.2282,-1.8247;7.4205,.3112,2.4734;8.8341,.3156,.4078;-4.9779,-.1092,-2.7523;-.1116,4.974,2.7535;4.9755,.1119,-2.7539;.1113,-4.9756,2.7528;.0003,-.0001,-.0008;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340063 0.0340008 0.0208531</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.019332" y3="-0.434268" z3="0.054757">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.727693" y3="-0.953923" z3="0.015275">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-1.928961" y3="-2.329915" z3="0.002384">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-2.658481" y3="3.312936" z3="-0.024067">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-1.466414" y3="3.994284" z3="-0.08703">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-0.434848" y3="3.006705" z3="-0.057527">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.954503" y3="1.714576" z3="-0.012715">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-2.330668" y3="1.916976" z3="0.00269">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="2.631479" y3="-3.344705" z3="-0.00217">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="1.434651" y3="-4.019193" z3="-0.064194">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="0.415642" y3="-3.025151" z3="-0.042761">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.938844" y3="-1.73445" z3="-0.001263">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="2.314494" y3="-1.94429" z3="0.016462">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.320989" y3="2.641608" z3="0.015275">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.000794" y3="1.449361" z3="0.079385">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="3.011127" y3="0.420376" z3="0.056584">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.718398" y3="0.94152" z3="0.013517">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="1.924468" y3="2.317471" z3="-0.007444">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.325191" y3="-2.656473" z3="0.021357">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.006062" y3="-1.463282" z3="0.080258">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-3.305614" y3="0.929499" z3="0.056018">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="3.297118" y3="-0.949576" z3="0.065902">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="0.934526" y3="3.294618" z3="-0.062401">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-0.9453" y3="-3.303755" z3="-0.04553">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-3.672699" y3="3.715073" z3="-0.010966">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-1.316787" y3="5.072623" z3="-0.131319">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="3.636848" y3="-3.766834" z3="0.016232">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="1.275416" y3="-5.097302" z3="-0.101901">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="3.736149" y3="3.650503" z3="-0.001853">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.079038" y3="1.297568" z3="0.121113">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-3.728413" y3="-3.669952" z3="0.007329">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.084908" y3="-1.312519" z3="0.119157">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="4.725438" y3="-1.359101" z3="0.115131">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="5.43493" y3="-1.577587" z3="-1.072648">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="5.421964" y3="-1.570637" z3="1.315832">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="6.774664" y3="-1.970626" z3="-1.075482">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="6.763468" y3="-1.959002" z3="1.334086">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="7.441377" y3="-2.154758" z3="0.13477">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.909308" y3="-1.430811" z3="-2.021174">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="7.300826" y3="-2.129696" z3="-2.019761">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="7.274595" y3="-2.119857" z3="2.284932">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="8.489223" y3="-2.463401" z3="0.157279">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-1.368079" y3="-4.724328" z3="-0.104431">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-1.602777" y3="-5.45535" z3="1.067667">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-1.576589" y3="-5.394843" z3="-1.323703">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-2.005872" y3="-6.793211" z3="1.043898">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-1.974629" y3="-6.73284" z3="-1.368613">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-2.18303" y3="-7.435266" z3="-0.181212">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-1.459777" y3="-4.95323" z3="2.029816">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-2.175078" y3="-7.335505" z3="1.977105">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-2.130888" y3="-7.22602" z3="-2.329855">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-2.499248" y3="-8.480181" z3="-0.226416">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-4.729804" y3="1.345534" z3="0.11174">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-5.410592" y3="1.581941" z3="1.316953">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-5.452386" y3="1.54523" z3="-1.073662">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-6.750989" y3="1.97687" z3="1.34256">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-6.790926" y3="1.945697" z3="-1.068826">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-7.444202" y3="2.154038" z3="0.144332">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.936542" y3="1.377541" z3="-2.024059">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-7.246259" y3="2.153737" z3="2.299123">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-7.325115" y3="2.088858" z3="-2.011297">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-8.490563" y3="2.467998" z3="0.161722">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="1.347738" y3="4.720935" z3="-0.118209">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="1.580004" y3="5.40287" z3="-1.322856">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="1.546073" y3="5.443338" z3="1.067361">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="1.971048" y3="6.743014" z3="-1.348662">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="1.939854" y3="6.782069" z3="1.062534">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="2.149291" y3="7.43504" z3="-0.150391">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="1.380755" y3="4.927146" z3="2.017947">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="2.147773" y3="7.238341" z3="-2.30516">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="2.082281" y3="7.315894" z3="2.005232">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="2.459811" y3="8.482471" z3="-0.167913">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-1.351428" y3="-4.481629" z3="-2.969251">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-4.513092" y3="1.390896" z3="2.979861">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="1.391858" y3="4.504961" z3="-2.985165">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.546247" y3="-1.355963" z3="2.988413">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.004957" y3="-0.007281" z3="0.004971">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.0193,-.4343,.0548;-1.7277,-.9539,.0153;-1.929,-2.3299,.0024;-2.6585,3.3129,-.0241;-1.4664,3.9943,-.087;-.4348,3.0067,-.0575;-.9545,1.7146,-.0127;-2.3307,1.917,.0027;2.6315,-3.3447,-.0022;1.4347,-4.0192,-.0642;.4156,-3.0252,-.0428;.9388,-1.7345,-.0013;2.3145,-1.9443,.0165;3.321,2.6416,.0153;4.0008,1.4494,.0794;3.0111,.4204,.0566;1.7184,.9415,.0135;1.9245,2.3175,-.0074;-3.3252,-2.6565,.0214;-4.0061,-1.4633,.0803;-3.3056,.9295,.056;3.2971,-.9496,.0659;.9345,3.2946,-.0624;-.9453,-3.3038,-.0455;-3.6727,3.7151,-.011;-1.3168,5.0726,-.1313;3.6368,-3.7668,.0162;1.2754,-5.0973,-.1019;3.7361,3.6505,-.0019;5.079,1.2976,.1211;-3.7284,-3.67,.0073;-5.0849,-1.3125,.1192;4.7254,-1.3591,.1151;5.4349,-1.5776,-1.0726;5.422,-1.5706,1.3158;6.7747,-1.9706,-1.0755;6.7635,-1.959,1.3341;7.4414,-2.1548,.1348;4.9093,-1.4308,-2.0212;7.3008,-2.1297,-2.0198;7.2746,-2.1199,2.2849;8.4892,-2.4634,.1573;-1.3681,-4.7243,-.1044;-1.6028,-5.4554,1.0677;-1.5766,-5.3948,-1.3237;-2.0059,-6.7932,1.0439;-1.9746,-6.7328,-1.3686;-2.183,-7.4353,-.1812;-1.4598,-4.9532,2.0298;-2.1751,-7.3355,1.9771;-2.1309,-7.226,-2.3299;-2.4992,-8.4802,-.2264;-4.7298,1.3455,.1117;-5.4106,1.5819,1.317;-5.4524,1.5452,-1.0737;-6.751,1.9769,1.3426;-6.7909,1.9457,-1.0688;-7.4442,2.154,.1443;-4.9365,1.3775,-2.0241;-7.2463,2.1537,2.2991;-7.3251,2.0889,-2.0113;-8.4906,2.468,.1617;1.3477,4.7209,-.1182;1.58,5.4029,-1.3229;1.5461,5.4433,1.0674;1.971,6.743,-1.3487;1.9399,6.7821,1.0625;2.1493,7.435,-.1504;1.3808,4.9271,2.0179;2.1478,7.2383,-2.3052;2.0823,7.3159,2.0052;2.4598,8.4825,-.1679;-1.3514,-4.4816,-2.9693;-4.5131,1.3909,2.9799;1.3919,4.505,-2.9852;4.5462,-1.356,2.9884;-.005,-.0073,.005;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0341244 0.0339755 0.0215955</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.783536" y3="-2.937474" z3="-0.002007">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="0.215917" y3="-1.963898" z3="0.005866">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="1.400252" y3="-2.698357" z3="0.015986">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-4.105609" y3="-1.136913" z3="-0.022915">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-4.254582" y3="0.223378" z3="-0.014554">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-2.939926" y3="0.78356" z3="0.002378">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-1.966206" y3="-0.215651" z3="-0.005766">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-2.70052" y3="-1.400055" z3="-0.017475">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="4.104323" y3="1.138576" z3="-0.02591">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="4.25296" y3="-0.221982" z3="-0.018083">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="2.937969" y3="-0.781447" z3="-0.001077">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="1.964238" y3="0.218035" z3="-0.007766">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="2.699304" y3="1.402345" z3="-0.018884">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="-1.140909" y3="4.105963" z3="0.027559">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="0.219621" y3="4.255935" z3="0.019234">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="0.780466" y3="2.940912" z3="0.001049">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="-0.218451" y3="1.966554" z3="0.008331">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-1.403214" y3="2.700916" z3="0.020562">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="1.136932" y3="-4.103592" z3="0.020457">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-0.223495" y3="-4.252305" z3="0.013056">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.152863" y3="-2.683308" z3="-0.002816">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.151069" y3="2.686726" z3="-0.001664">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="-2.686232" y3="2.152685" z3="0.004493">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="2.683784" y3="-2.150513" z3="-0.000051">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-4.886117" y3="-1.898058" z3="-0.029081">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-5.181392" y3="0.798728" z3="-0.018033">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="4.885434" y3="1.899044" z3="-0.032223">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="5.179353" y3="-0.797936" z3="-0.022332">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="-1.902111" y3="4.886465" z3="0.034455">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="0.794644" y3="5.182743" z3="0.023488">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="1.89797" y3="-4.884154" z3="0.024814">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-0.799001" y3="-5.17902" z3="0.015835">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="3.085032" y3="3.84848" z3="0.006709">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="3.504596" y3="4.421289" z3="-1.204492">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="3.596427" y3="4.426597" z3="1.188924">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="4.379427" y3="5.50392" z3="-1.24413">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="4.472317" y3="5.512617" z3="1.165244">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="4.863799" y3="6.049162" z3="-0.05838">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="3.124065" y3="3.992063" z3="-2.13561">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="4.684602" y3="5.922738" z3="-2.206133">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="4.849396" y3="5.935183" z3="2.098952">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="5.551075" y3="6.898627" z3="-0.076899">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="3.845438" y3="-3.084896" z3="-0.006279">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="4.40974" y3="-3.512558" z3="1.206401">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="4.432282" y3="-3.590509" z3="-1.18869">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="5.491627" y3="-4.388922" z3="1.248758">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="5.517589" y3="-4.467888" z3="-1.161703">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="6.045613" y3="-4.866232" z3="0.063762">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="3.974293" y3="-3.137807" z3="2.13703">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="5.903144" y3="-4.700532" z3="2.211791">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="5.946086" y3="-4.840707" z3="-2.09437">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="6.89439" y3="-5.554332" z3="0.084612">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-3.087287" y3="-3.845273" z3="0.002866">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-3.594282" y3="-4.43237" z3="1.185353">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-3.513253" y3="-4.410629" z3="-1.213052">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-4.472411" y3="-5.519561" z3="1.157465">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-4.390309" y3="-5.494356" z3="-1.256943">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-4.870031" y3="-6.049301" z3="-0.070967">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-3.136794" y3="-3.97459" z3="-2.142727">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-4.845763" y3="-5.947911" z3="2.090176">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-4.699973" y3="-5.905626" z3="-2.220822">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-5.55775" y3="-6.898411" z3="-0.093379">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="-3.84839" y3="3.086439" z3="-0.002758">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="-4.431283" y3="3.595317" z3="-1.185295">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="-4.417735" y3="3.508877" z3="1.210745">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="-5.518286" y3="4.472067" z3="-1.159372">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="-5.502308" y3="4.383398" z3="1.252366">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="-6.051053" y3="4.866987" z3="0.066551">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="-3.985102" y3="3.130383" z3="2.141139">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="-5.943954" y3="4.846833" z3="-2.092699">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="-5.917788" y3="4.690081" z3="2.215363">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="-6.900462" y3="5.554336" z3="0.087403">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="3.741862" y3="-3.089201" z3="-2.895728">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-3.094027" y3="-3.741682" z3="2.893321">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="-3.734154" y3="3.099021" z3="-2.891681">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="3.103186" y3="3.722904" z3="2.893235">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.000977" y3="0.001303" z3="0.000382">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.7835,-2.9375,-.002;.2159,-1.9639,.0059;1.4003,-2.6984,.016;-4.1056,-1.1369,-.0229;-4.2546,.2234,-.0146;-2.9399,.7836,.0024;-1.9662,-.2157,-.0058;-2.7005,-1.4001,-.0175;4.1043,1.1386,-.0259;4.253,-.222,-.0181;2.938,-.7814,-.0011;1.9642,.218,-.0078;2.6993,1.4023,-.0189;-1.1409,4.106,.0276;.2196,4.2559,.0192;.7805,2.9409,.001;-.2185,1.9666,.0083;-1.4032,2.7009,.0206;1.1369,-4.1036,.0205;-.2235,-4.2523,.0131;-2.1529,-2.6833,-.0028;2.1511,2.6867,-.0017;-2.6862,2.1527,.0045;2.6838,-2.1505,-.0001;-4.8861,-1.8981,-.0291;-5.1814,.7987,-.018;4.8854,1.899,-.0322;5.1794,-.7979,-.0223;-1.9021,4.8865,.0345;.7946,5.1827,.0235;1.898,-4.8842,.0248;-.799,-5.179,.0158;3.085,3.8485,.0067;3.5046,4.4213,-1.2045;3.5964,4.4266,1.1889;4.3794,5.5039,-1.2441;4.4723,5.5126,1.1652;4.8638,6.0492,-.0584;3.1241,3.9921,-2.1356;4.6846,5.9227,-2.2061;4.8494,5.9352,2.099;5.5511,6.8986,-.0769;3.8454,-3.0849,-.0063;4.4097,-3.5126,1.2064;4.4323,-3.5905,-1.1887;5.4916,-4.3889,1.2488;5.5176,-4.4679,-1.1617;6.0456,-4.8662,.0638;3.9743,-3.1378,2.137;5.9031,-4.7005,2.2118;5.9461,-4.8407,-2.0944;6.8944,-5.5543,.0846;-3.0873,-3.8453,.0029;-3.5943,-4.4324,1.1854;-3.5133,-4.4106,-1.2131;-4.4724,-5.5196,1.1575;-4.3903,-5.4944,-1.2569;-4.87,-6.0493,-.071;-3.1368,-3.9746,-2.1427;-4.8458,-5.9479,2.0902;-4.7,-5.9056,-2.2208;-5.5578,-6.8984,-.0934;-3.8484,3.0864,-.0028;-4.4313,3.5953,-1.1853;-4.4177,3.5089,1.2107;-5.5183,4.4721,-1.1594;-5.5023,4.3834,1.2524;-6.0511,4.867,.0666;-3.9851,3.1304,2.1411;-5.944,4.8468,-2.0927;-5.9178,4.6901,2.2154;-6.9005,5.5543,.0874;3.7419,-3.0892,-2.8957;-3.094,-3.7417,2.8933;-3.7342,3.099,-2.8917;3.1032,3.7229,2.8932;-.001,.0013,.0004;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0338699 0.0338444 0.0211452</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="1.182691" y3="-2.801123" z3="-0.0379">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="1.374018" y3="-1.420056" z3="0.001076">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="2.760608" y3="-1.274564" z3="0.044201">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-2.545363" y3="-3.415085" z3="-0.037457">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-3.497309" y3="-2.431599" z3="0.020423">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-2.800942" y3="-1.182876" z3="0.037309">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-1.419907" y3="-1.37413" z3="-0.001666">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.274369" y3="-2.760743" z3="-0.044523">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="2.545679" y3="3.414663" z3="-0.037929">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="3.497398" y3="2.431086" z3="0.020236">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="2.801006" y3="1.182392" z3="0.037433">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="1.419986" y3="1.373844" z3="-0.001761">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.274473" y3="2.760358" z3="-0.045003">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="-3.414911" y3="2.545377" z3="0.037328">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="-2.431356" y3="3.497164" z3="-0.020732">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="-1.18259" y3="2.800842" z3="-0.037935">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="-1.373958" y3="1.419818" z3="0.001059">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-2.760506" y3="1.274204" z3="0.044244">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="3.414921" y3="-2.545598" z3="0.037558">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="2.431428" y3="-3.497542" z3="-0.020515">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-0.056577" y3="-3.438905" z3="-0.064396">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="0.056658" y3="3.438716" z3="-0.064778">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="-3.438776" y3="0.056403" z3="0.063958">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="3.43879" y3="-0.056735" z3="0.064323">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-2.695644" y3="-4.494685" z3="-0.06426">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-4.581494" y3="-2.544866" z3="0.042353">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="2.694661" y3="4.494415" z3="-0.064971">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="4.581621" y3="2.54424" z3="0.0422">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="-4.494675" y3="2.694291" z3="0.064425">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-2.544551" y3="4.58138" z3="-0.042532">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="4.494506" y3="-2.695896" z3="0.064808">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="2.5447" y3="-4.581729" z3="-0.042145">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="0.081029" y3="4.924522" z3="-0.129482">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="0.062841" y3="5.570124" z3="-1.376574">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="0.124495" y3="5.750557" z3="1.006277">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="0.086365" y3="6.958261" z3="-1.491833">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="0.14962" y3="7.143923" z3="0.911873">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="0.1303" y3="7.747725" z3="-0.343529">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="0.029435" y3="4.948942" z3="-2.276441">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="0.071352" y3="7.423251" z3="-2.480378">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="0.184186" y3="7.753423" z3="1.817118">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="0.149937" y3="8.8376" z3="-0.417657">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="4.924572" y3="-0.080959" z3="0.129106">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="5.569248" y3="-0.061056" z3="1.376881">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="5.751393" y3="-0.125666" z3="-1.005742">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="6.957276" y3="-0.084109" z3="1.492952">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="7.14478" y3="-0.150195" z3="-0.910609">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="7.74762" y3="-0.129682" z3="0.345218">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="4.947023" y3="-0.026424" z3="2.275953">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="7.421728" y3="-0.067384" z3="2.481743">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="7.754765" y3="-0.18507" z3="-1.815502">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="8.837439" y3="-0.149111" z3="0.420211">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-0.080913" y3="-4.924751" z3="-0.128102">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-0.125964" y3="-5.750007" z3="1.008294">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-0.060858" y3="-5.571389" z3="-1.374735">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-0.150674" y3="-7.143423" z3="0.915007">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-0.083987" y3="-6.959698" z3="-1.489037">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-0.129903" y3="-7.748207" z3="-0.340171">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-0.025985" y3="-4.951052" z3="-2.275136">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-0.185938" y3="-7.752763" z3="1.820316">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-0.067065" y3="-7.425529" z3="-2.477158">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-0.149487" y3="-8.838218" z3="-0.412415">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="-4.924596" y3="0.080677" z3="0.128083">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="-5.750195" y3="0.125018" z3="-1.00802">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="-5.570853" y3="0.061537" z3="1.374916">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="-7.143575" y3="0.14987" z3="-0.914302">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="-6.959087" y3="0.085576" z3="1.489677">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="-7.748006" y3="0.129341" z3="0.341021">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="-4.950187" y3="0.027515" z3="2.275125">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="-7.753189" y3="0.185094" z3="-1.81943">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="-7.424628" y3="0.069991" z3="2.477959">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="-8.837993" y3="0.148713" z3="0.413615">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="4.980094" y3="-0.154421" z3="-2.750316">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-0.155329" y3="-4.97629" z3="2.751524">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="-4.977058" y3="0.153633" z3="-2.751517">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="0.151886" y3="4.978326" z3="2.750111">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000056" y3="-0.000103" z3="-0.000382">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1827,-2.8011,-.0379;1.374,-1.4201,.0011;2.7606,-1.2746,.0442;-2.5454,-3.4151,-.0375;-3.4973,-2.4316,.0204;-2.8009,-1.1829,.0373;-1.4199,-1.3741,-.0017;-1.2744,-2.7607,-.0445;2.5457,3.4147,-.0379;3.4974,2.4311,.0202;2.801,1.1824,.0374;1.42,1.3738,-.0018;1.2745,2.7604,-.045;-3.4149,2.5454,.0373;-2.4314,3.4972,-.0207;-1.1826,2.8008,-.0379;-1.374,1.4198,.0011;-2.7605,1.2742,.0442;3.4149,-2.5456,.0376;2.4314,-3.4975,-.0205;-.0566,-3.4389,-.0644;.0567,3.4387,-.0648;-3.4388,.0564,.064;3.4388,-.0567,.0643;-2.6956,-4.4947,-.0643;-4.5815,-2.5449,.0424;2.6947,4.4944,-.065;4.5816,2.5442,.0422;-4.4947,2.6943,.0644;-2.5446,4.5814,-.0425;4.4945,-2.6959,.0648;2.5447,-4.5817,-.0421;.081,4.9245,-.1295;.0628,5.5701,-1.3766;.1245,5.7506,1.0063;.0864,6.9583,-1.4918;.1496,7.1439,.9119;.1303,7.7477,-.3435;.0294,4.9489,-2.2764;.0714,7.4233,-2.4804;.1842,7.7534,1.8171;.1499,8.8376,-.4177;4.9246,-.081,.1291;5.5692,-.0611,1.3769;5.7514,-.1257,-1.0057;6.9573,-.0841,1.493;7.1448,-.1502,-.9106;7.7476,-.1297,.3452;4.947,-.0264,2.276;7.4217,-.0674,2.4817;7.7548,-.1851,-1.8155;8.8374,-.1491,.4202;-.0809,-4.9248,-.1281;-.126,-5.75,1.0083;-.0609,-5.5714,-1.3747;-.1507,-7.1434,.915;-.084,-6.9597,-1.489;-.1299,-7.7482,-.3402;-.026,-4.9511,-2.2751;-.1859,-7.7528,1.8203;-.0671,-7.4255,-2.4772;-.1495,-8.8382,-.4124;-4.9246,.0807,.1281;-5.7502,.125,-1.008;-5.5709,.0615,1.3749;-7.1436,.1499,-.9143;-6.9591,.0856,1.4897;-7.748,.1293,.341;-4.9502,.0275,2.2751;-7.7532,.1851,-1.8194;-7.4246,.07,2.478;-8.838,.1487,.4136;4.9801,-.1544,-2.7503;-.1553,-4.9763,2.7515;-4.9771,.1536,-2.7515;.1519,4.9783,2.7501;.0001,-.0001,-.0004;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340021 0.0339981 0.0208448</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="3.018636" y3="-0.077486" z3="0.194832">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="1.848923" y3="0.672455" z3="0.054643">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="2.292536" y3="1.992739" z3="0.039604">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="2.044413" y3="-3.708901" z3="-0.127711">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="0.749745" y3="-4.161192" z3="-0.246622">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-0.098325" y3="-3.014319" z3="-0.154089">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.651277" y3="-1.843415" z3="-0.013924">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="1.971272" y3="-2.287626" z3="0.01219">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-2.068942" y3="3.728587" z3="-0.132484">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-0.773627" y3="4.189684" z3="-0.242623">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="0.078387" y3="3.043679" z3="-0.141589">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.669203" y3="1.870531" z3="-0.011406">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-1.991762" y3="2.311862" z3="0.004123">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="-3.727783" y3="-2.039955" z3="0.107917">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="-4.184851" y3="-0.743957" z3="0.221372">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="-3.037196" y3="0.102486" z3="0.145026">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="-1.86464" y3="-0.645683" z3="0.020421">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-2.309332" y3="-1.967064" z3="-0.010996">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="3.712348" y3="2.064707" z3="0.188208">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="4.16463" y3="0.769345" z3="0.300086">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="3.094728" y3="-1.466135" z3="0.162303">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="-3.110666" y3="1.48853" z3="0.126561">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="-1.485088" y3="-3.089405" z3="-0.139481">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="1.471249" y3="3.117265" z3="-0.111744">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="2.974817" y3="-4.277145" z3="-0.140083">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="0.415999" y3="-5.187931" z3="-0.404811">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-2.987869" y3="4.315864" z3="-0.156577">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-0.444808" y3="5.217386" z3="-0.398406">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="-4.31947" y3="-2.956137" z3="0.115406">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-5.213844" y3="-0.411947" z3="0.363878">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="4.280224" y3="2.995051" z3="0.211663">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="5.190368" y3="0.433961" z3="0.461492">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="-4.469219" y3="2.099087" z3="0.172949">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="-5.143801" y3="2.311487" z3="-1.047616">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="-5.182046" y3="2.468114" z3="1.326278">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="-6.421881" y3="2.862535" z3="-1.120266">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="-6.459662" y3="3.032252" z3="1.276337">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="-7.083536" y3="3.230838" z3="0.048842">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="-4.629207" y3="2.012883" z3="-1.965872">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="-6.907432" y3="3.001092" z3="-2.089326">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="-6.965349" y3="3.303839" z3="2.203137">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="-8.082294" y3="3.672734" z3="0.021637">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="2.08404" y3="4.47442" z3="-0.181703">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="2.247101" y3="5.209105" z3="1.003439">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="2.502615" y3="5.12584" z3="-1.359974">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="2.801516" y3="6.488019" z3="1.0365">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="3.072027" y3="6.399538" z3="-1.345948">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="3.220369" y3="7.086227" z3="-0.146616">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="1.913308" y3="4.748826" z3="1.938934">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="2.907301" y3="7.01675" z3="1.986358">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="3.394238" y3="6.856371" z3="-2.282063">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="3.663547" y3="8.084821" z3="-0.154175">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="4.453528" y3="-2.076525" z3="0.207982">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="5.158864" y3="-2.459832" z3="1.352894">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="5.126949" y3="-2.271698" z3="-1.007538">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="6.432505" y3="-3.024495" z3="1.297875">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="6.399714" y3="-2.820643" z3="-1.081739">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="7.057827" y3="-3.201718" z3="0.081231">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="4.611707" y3="-1.962338" z3="-1.921607">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="6.921853" y3="-3.315287" z3="2.227922">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="6.885021" y3="-2.952483" z3="-2.051607">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="8.057244" y3="-3.639279" z3="0.032251">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="-2.095228" y3="-4.448158" z3="-0.192203">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="-2.45961" y3="-5.154655" z3="-1.346018">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="-2.311299" y3="-5.12251" z3="1.022655">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="-3.024825" y3="-6.430693" z3="-1.300462">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="-2.8558" y3="-6.400438" z3="1.087225">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="-3.227214" y3="-7.055142" z3="-0.08363">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="-2.015207" y3="-4.608714" z3="1.941909">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="-3.290019" y3="-6.92426" z3="-2.23592">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="-2.995322" y3="-6.8890" z3="2.054451">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="-3.670279" y3="-8.052694" z3="-0.042145">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="2.287133" y3="4.314191" z3="-3.051126">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="4.423584" y3="-2.214104" z3="3.075461">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="-2.177634" y3="-4.419083" z3="-3.063315">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="-4.448998" y3="2.186459" z3="3.046317">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.007762" y3="0.012939" z3="0.011784">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.0186,-.0775,.1948;1.8489,.6725,.0546;2.2925,1.9927,.0396;2.0444,-3.7089,-.1277;.7497,-4.1612,-.2466;-.0983,-3.0143,-.1541;.6513,-1.8434,-.0139;1.9713,-2.2876,.0122;-2.0689,3.7286,-.1325;-.7736,4.1897,-.2426;.0784,3.0437,-.1416;-.6692,1.8705,-.0114;-1.9918,2.3119,.0041;-3.7278,-2.04,.1079;-4.1849,-.744,.2214;-3.0372,.1025,.145;-1.8646,-.6457,.0204;-2.3093,-1.9671,-.011;3.7123,2.0647,.1882;4.1646,.7693,.3001;3.0947,-1.4661,.1623;-3.1107,1.4885,.1266;-1.4851,-3.0894,-.1395;1.4712,3.1173,-.1117;2.9748,-4.2771,-.1401;.416,-5.1879,-.4048;-2.9879,4.3159,-.1566;-.4448,5.2174,-.3984;-4.3195,-2.9561,.1154;-5.2138,-.4119,.3639;4.2802,2.9951,.2117;5.1904,.434,.4615;-4.4692,2.0991,.1729;-5.1438,2.3115,-1.0476;-5.182,2.4681,1.3263;-6.4219,2.8625,-1.1203;-6.4597,3.0323,1.2763;-7.0835,3.2308,.0488;-4.6292,2.0129,-1.9659;-6.9074,3.0011,-2.0893;-6.9653,3.3038,2.2031;-8.0823,3.6727,.0216;2.084,4.4744,-.1817;2.2471,5.2091,1.0034;2.5026,5.1258,-1.36;2.8015,6.488,1.0365;3.072,6.3995,-1.3459;3.2204,7.0862,-.1466;1.9133,4.7488,1.9389;2.9073,7.0168,1.9864;3.3942,6.8564,-2.2821;3.6635,8.0848,-.1542;4.4535,-2.0765,.208;5.1589,-2.4598,1.3529;5.1269,-2.2717,-1.0075;6.4325,-3.0245,1.2979;6.3997,-2.8206,-1.0817;7.0578,-3.2017,.0812;4.6117,-1.9623,-1.9216;6.9219,-3.3153,2.2279;6.885,-2.9525,-2.0516;8.0572,-3.6393,.0323;-2.0952,-4.4482,-.1922;-2.4596,-5.1547,-1.346;-2.3113,-5.1225,1.0227;-3.0248,-6.4307,-1.3005;-2.8558,-6.4004,1.0872;-3.2272,-7.0551,-.0836;-2.0152,-4.6087,1.9419;-3.29,-6.9243,-2.2359;-2.9953,-6.889,2.0545;-3.6703,-8.0527,-.0421;2.2871,4.3142,-3.0511;4.4236,-2.2141,3.0755;-2.1776,-4.4191,-3.0633;-4.449,2.1865,3.0463;-.0078,.0129,.0118;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0330485 0.0327881 0.0209488</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="2.459984" y3="1.783043" z3="0.017656">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="1.071629" y3="1.658964" z3="0.012389">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="0.617228" y3="2.978035" z3="0.017445">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="3.898493" y3="-1.712828" z3="-0.026247">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="3.154049" y3="-2.859176" z3="-0.029802">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="1.781914" y3="-2.462908" z3="-0.011976">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="1.657543" y3="-1.074635" z3="-0.006975">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="2.976434" y3="-0.620178" z3="-0.01244">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-3.902062" y3="1.714361" z3="-0.031514">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-3.156336" y3="2.86004" z3="-0.034147">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-1.785241" y3="2.462064" z3="-0.014874">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-1.661646" y3="1.073786" z3="-0.009508">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-2.981294" y3="0.620401" z3="-0.01632">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="-1.714111" y3="-3.902354" z3="0.028363">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="-2.861011" y3="-3.158256" z3="0.030911">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="-2.464684" y3="-1.785571" z3="0.013521">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="-1.076076" y3="-1.660846" z3="0.010086">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-0.621653" y3="-2.980162" z3="0.015627">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="1.710195" y3="3.900035" z3="0.030323">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="2.856531" y3="3.155207" z3="0.034331">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="3.362094" y3="0.720298" z3="0.015924">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="-3.367547" y3="-0.721898" z3="0.011335">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="0.719491" y3="-3.365307" z3="-0.011313">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-0.723309" y3="3.36336" z3="-0.012736">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="4.984182" y3="-1.616155" z3="-0.029488">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="3.510461" y3="-3.890226" z3="-0.044798">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-4.988021" y3="1.621361" z3="-0.03627">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-3.511126" y3="3.891712" z3="-0.049677">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="-1.619767" y3="-4.988284" z3="0.031433">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-3.891913" y3="-3.514694" z3="0.044515">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="1.613708" y3="4.985706" z3="0.032163">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="3.887718" y3="3.511289" z3="0.048322">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="-4.824403" y3="-1.03211" z3="0.030451">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="-5.519505" y3="-1.210641" z3="-1.176795">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="-5.575113" y3="-1.158628" z3="1.21634">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="-6.881539" y3="-1.496267" z3="-1.208546">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="-6.940219" y3="-1.446169" z3="1.201055">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="-7.593039" y3="-1.613062" z3="-0.017174">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="-4.958367" y3="-1.119147" z3="-2.110939">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="-7.389387" y3="-1.628044" z3="-2.166935">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="-7.491487" y3="-1.536581" z3="2.139346">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="-8.662677" y3="-1.836483" z3="-0.026465">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-1.033898" y3="4.820129" z3="-0.031298">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-1.2082" y3="5.517356" z3="1.175601">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-1.16309" y3="5.570581" z3="-1.219443">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-1.49294" y3="6.880267" z3="1.207094">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-1.449004" y3="6.936451" z3="-1.203756">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-1.614282" y3="7.590383" z3="0.014924">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-1.113478" y3="4.958395" z3="2.110795">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-1.620289" y3="7.38943" z3="2.165313">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-1.538706" y3="7.487864" z3="-2.141974">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-1.837081" y3="8.660182" z3="0.023976">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="4.819508" y3="1.030471" z3="0.030653">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="5.57527" y3="1.164867" z3="1.214819">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="5.512077" y3="1.200396" z3="-1.182449">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="6.942541" y3="1.451209" z3="1.192606">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="6.876247" y3="1.485189" z3="-1.221418">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="7.592942" y3="1.611639" z3="-0.031869">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="4.947374" y3="1.101673" z3="-2.113764">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="7.496323" y3="1.545246" z3="2.129199">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="7.380507" y3="1.608397" z3="-2.182886">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="8.662646" y3="1.83464" z3="-0.048991">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="1.030203" y3="-4.822362" z3="-0.028947">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="1.162331" y3="-5.575096" z3="-1.214439">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="1.203936" y3="-5.51665" z3="1.181406">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="1.449965" y3="-6.941577" z3="-1.195844">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="1.492788" y3="-6.87947" z3="1.216397">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="1.611337" y3="-7.594097" z3="0.025754">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="1.108215" y3="-4.953922" z3="2.114193">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="1.544263" y3="-7.492911" z3="-2.133826">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="1.621172" y3="-7.385216" z3="2.176392">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="1.834457" y3="-8.663802" z3="0.039959">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-0.932146" y3="4.729503" z3="-2.917559">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="4.741346" y3="0.943756" z3="2.918377">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="0.938753" y3="-4.736119" z3="-2.915168">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="-4.732167" y3="-0.928463" z3="2.914373">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.002301" y3="-0.000811" z3="0.00202">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.46,1.783,.0177;1.0716,1.659,.0124;.6172,2.978,.0174;3.8985,-1.7128,-.0262;3.154,-2.8592,-.0298;1.7819,-2.4629,-.012;1.6575,-1.0746,-.007;2.9764,-.6202,-.0124;-3.9021,1.7144,-.0315;-3.1563,2.86,-.0341;-1.7852,2.4621,-.0149;-1.6616,1.0738,-.0095;-2.9813,.6204,-.0163;-1.7141,-3.9024,.0284;-2.861,-3.1583,.0309;-2.4647,-1.7856,.0135;-1.0761,-1.6608,.0101;-.6217,-2.9802,.0156;1.7102,3.9,.0303;2.8565,3.1552,.0343;3.3621,.7203,.0159;-3.3675,-.7219,.0113;.7195,-3.3653,-.0113;-.7233,3.3634,-.0127;4.9842,-1.6162,-.0295;3.5105,-3.8902,-.0448;-4.988,1.6214,-.0363;-3.5111,3.8917,-.0497;-1.6198,-4.9883,.0314;-3.8919,-3.5147,.0445;1.6137,4.9857,.0322;3.8877,3.5113,.0483;-4.8244,-1.0321,.0305;-5.5195,-1.2106,-1.1768;-5.5751,-1.1586,1.2163;-6.8815,-1.4963,-1.2085;-6.9402,-1.4462,1.2011;-7.593,-1.6131,-.0172;-4.9584,-1.1191,-2.1109;-7.3894,-1.628,-2.1669;-7.4915,-1.5366,2.1393;-8.6627,-1.8365,-.0265;-1.0339,4.8201,-.0313;-1.2082,5.5174,1.1756;-1.1631,5.5706,-1.2194;-1.4929,6.8803,1.2071;-1.449,6.9365,-1.2038;-1.6143,7.5904,.0149;-1.1135,4.9584,2.1108;-1.6203,7.3894,2.1653;-1.5387,7.4879,-2.142;-1.8371,8.6602,.024;4.8195,1.0305,.0307;5.5753,1.1649,1.2148;5.5121,1.2004,-1.1824;6.9425,1.4512,1.1926;6.8762,1.4852,-1.2214;7.5929,1.6116,-.0319;4.9474,1.1017,-2.1138;7.4963,1.5452,2.1292;7.3805,1.6084,-2.1829;8.6626,1.8346,-.049;1.0302,-4.8224,-.0289;1.1623,-5.5751,-1.2144;1.2039,-5.5167,1.1814;1.45,-6.9416,-1.1958;1.4928,-6.8795,1.2164;1.6113,-7.5941,.0258;1.1082,-4.9539,2.1142;1.5443,-7.4929,-2.1338;1.6212,-7.3852,2.1764;1.8345,-8.6638,.04;-.9321,4.7295,-2.9176;4.7413,.9438,2.9184;.9388,-4.7361,-2.9152;-4.7322,-.9285,2.9144;-.0023,-.0008,.002;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0338677 0.0338530 0.0212210</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-1.419764" y3="2.688676" z3="-0.036806">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.491319" y3="1.296286" z3="0.001432">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.860273" y3="1.031814" z3="0.04418">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="2.241569" y3="3.621679" z3="-0.037589">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="3.274669" y3="2.72388" z3="0.019414">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.68853" y3="1.419823" z3="0.036365">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="1.296176" y3="1.491308" z3="-0.001804">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="1.031657" y3="2.860277" z3="-0.04418">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-2.242062" y3="-3.621401" z3="-0.037945">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-3.274909" y3="-2.723463" z3="0.019481">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.688705" y3="-1.419472" z3="0.036734">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-1.296362" y3="-1.491176" z3="-0.001808">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-1.031906" y3="-2.860058" z3="-0.044655">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.621551" y3="-2.241741" z3="0.037131">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="2.723662" y3="-3.27468" z3="-0.020091">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.419567" y3="-2.688579" z3="-0.037214">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.491176" y3="-1.296223" z3="0.001119">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.860084" y3="-1.031647" z3="0.043753">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.621648" y3="2.241771" z3="0.037976">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-2.72384" y3="3.274868" z3="-0.019318">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-0.240068" y3="3.430952" z3="-0.063207">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="0.239884" y3="-3.430941" z3="-0.063806">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.430867" y3="0.240112" z3="0.06275">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.430949" y3="-0.239943" z3="0.06351">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="2.29824" y3="4.710211" z3="-0.064131">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="4.345071" y3="2.930222" z3="0.040655">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-2.297553" y3="-4.709964" z3="-0.064764">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-4.345368" y3="-2.929655" z3="0.040858">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.710126" y3="-2.297141" z3="0.063877">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="2.92993" y3="-4.345117" z3="-0.041338">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.710165" y3="2.298462" z3="0.065008">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-2.930182" y3="4.345272" z3="-0.040321">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="0.343663" y3="-4.913343" z3="-0.127555">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="0.417367" y3="-5.555769" z3="-1.37426">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="0.371649" y3="-5.739247" z3="1.00872">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="0.513518" y3="-6.94082" z3="-1.488657">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="0.466675" y3="-7.129632" z3="0.915162">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="0.53783" y3="-7.730374" z3="-0.339828">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="0.397128" y3="-4.93456" z3="-2.274495">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="0.56851" y3="-7.403447" z3="-2.476892">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="0.484843" y3="-7.739229" z3="1.820819">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="0.612157" y3="-8.81794" z3="-0.413189">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.913307" y3="-0.343899" z3="0.127356">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.554695" y3="-0.419475" z3="1.374711">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.740078" y3="-0.370463" z3="-1.008062">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.939613" y3="-0.516107" z3="1.48988">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-7.130439" y3="-0.466072" z3="-0.913808">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.730154" y3="-0.538657" z3="0.341593">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.932392" y3="-0.400528" z3="2.274191">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-7.401573" y3="-0.57292" z3="2.478343">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.740542" y3="-0.483682" z3="-1.819121">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.81765" y3="-0.6132" z3="0.415778">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-0.343892" y3="4.913393" z3="-0.12605">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-0.370124" y3="5.738786" z3="1.01077">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-0.419635" y3="5.55656" z3="-1.372369">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-0.465543" y3="7.129178" z3="0.918184">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-0.516188" y3="6.941741" z3="-1.485963">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-0.538384" y3="7.730651" z3="-0.336666">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-0.400982" y3="4.935954" z3="-2.273061">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-0.48284" y3="7.738742" z3="1.823864">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-0.573186" y3="7.40492" z3="-2.47383">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-0.612783" y3="8.818334" z3="-0.408339">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.913282" y3="0.343992" z3="0.12588">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.738832" y3="0.371066" z3="-1.010743">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.556283" y3="0.418713" z3="1.372342">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="7.12922" y3="0.46636" z3="-0.91787">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.941485" y3="0.514438" z3="1.486248">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.730502" y3="0.538773" z3="0.33707">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.935524" y3="0.399137" z3="2.27291">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.738949" y3="0.483872" z3="-1.823438">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="7.404592" y3="0.570076" z3="2.474227">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.818151" y3="0.613363" z3="0.408976">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.972887" y3="-0.274897" z3="-2.752099">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-0.274042" y3="4.969508" z3="2.753599">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.969831" y3="0.276015" z3="-2.753751">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="0.277948" y3="-4.971005" z3="2.752065">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.000094" y3="0.000016" z3="-0.00031">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.4198,2.6887,-.0368;-1.4913,1.2963,.0014;-2.8603,1.0318,.0442;2.2416,3.6217,-.0376;3.2747,2.7239,.0194;2.6885,1.4198,.0364;1.2962,1.4913,-.0018;1.0317,2.8603,-.0442;-2.2421,-3.6214,-.0379;-3.2749,-2.7235,.0195;-2.6887,-1.4195,.0367;-1.2964,-1.4912,-.0018;-1.0319,-2.8601,-.0447;3.6216,-2.2417,.0371;2.7237,-3.2747,-.0201;1.4196,-2.6886,-.0372;1.4912,-1.2962,.0011;2.8601,-1.0316,.0438;-3.6216,2.2418,.038;-2.7238,3.2749,-.0193;-.2401,3.431,-.0632;.2399,-3.4309,-.0638;3.4309,.2401,.0628;-3.4309,-.2399,.0635;2.2982,4.7102,-.0641;4.3451,2.9302,.0407;-2.2976,-4.71,-.0648;-4.3454,-2.9297,.0409;4.7101,-2.2971,.0639;2.9299,-4.3451,-.0413;-4.7102,2.2985,.065;-2.9302,4.3453,-.0403;.3437,-4.9133,-.1276;.4174,-5.5558,-1.3743;.3716,-5.7392,1.0087;.5135,-6.9408,-1.4887;.4667,-7.1296,.9152;.5378,-7.7304,-.3398;.3971,-4.9346,-2.2745;.5685,-7.4034,-2.4769;.4848,-7.7392,1.8208;.6122,-8.8179,-.4132;-4.9133,-.3439,.1274;-5.5547,-.4195,1.3747;-5.7401,-.3705,-1.0081;-6.9396,-.5161,1.4899;-7.1304,-.4661,-.9138;-7.7302,-.5387,.3416;-4.9324,-.4005,2.2742;-7.4016,-.5729,2.4783;-7.7405,-.4837,-1.8191;-8.8177,-.6132,.4158;-.3439,4.9134,-.126;-.3701,5.7388,1.0108;-.4196,5.5566,-1.3724;-.4655,7.1292,.9182;-.5162,6.9417,-1.486;-.5384,7.7307,-.3367;-.401,4.936,-2.2731;-.4828,7.7387,1.8239;-.5732,7.4049,-2.4738;-.6128,8.8183,-.4083;4.9133,.344,.1259;5.7388,.3711,-1.0107;5.5563,.4187,1.3723;7.1292,.4664,-.9179;6.9415,.5144,1.4862;7.7305,.5388,.3371;4.9355,.3991,2.2729;7.7389,.4839,-1.8234;7.4046,.5701,2.4742;8.8182,.6134,.409;-4.9729,-.2749,-2.7521;-.274,4.9695,2.7536;4.9698,.276,-2.7538;.2779,-4.971,2.7521;-.0001,0,-.0003;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340010 0.0339976 0.0208494</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.043143" y3="0.202404" z3="0.027561">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.898628" y3="-0.586069" z3="0.013743">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.40119" y3="-1.897391" z3="0.0311">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-1.896471" y3="3.811791" z3="-0.007967">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-0.590957" y3="4.214075" z3="-0.024168">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="0.215996" y3="3.026619" z3="-0.001522">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.57211" y3="1.882253" z3="0.023083">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.884057" y3="2.386152" z3="0.012942">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="1.884255" y3="-3.849799" z3="0.007294">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="0.578242" y3="-4.246126" z3="0.003069">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-0.222451" y3="-3.057572" z3="0.022287">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.568204" y3="-1.914816" z3="0.03452">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.8772" y3="-2.420957" z3="0.015791">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.83016" y3="1.872932" z3="-0.011588">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.226733" y3="0.567533" z3="-0.000162">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="3.038479" y3="-0.235277" z3="-0.003929">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.896398" y3="0.555001" z3="-0.010559">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.402219" y3="1.864941" z3="-0.010898">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.827319" y3="-1.908718" z3="0.040805">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.229896" y3="-0.602755" z3="0.048452">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-3.043658" y3="1.60606" z3="0.020554">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="3.03889" y3="-1.640558" z3="0.003599">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="1.623633" y3="3.026895" z3="-0.012387">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-1.623828" y3="-3.055928" z3="0.02785">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-2.793516" y3="4.430328" z3="-0.02359">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-0.205968" y3="5.228869" z3="-0.054337">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="2.780198" y3="-4.469238" z3="-0.008201">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="0.188716" y3="-5.260595" z3="-0.01412">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.448229" y3="2.77005" z3="-0.008479">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.241265" y3="0.178703" z3="0.013136">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.446714" y3="-2.805107" z3="0.055044">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.245221" y3="-0.217565" z3="0.067751">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="4.342659" y3="-2.342479" z3="-0.017133">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.9822" y3="-2.601735" z3="-1.241429">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="5.001604" y3="-2.76526" z3="1.145236">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="6.2032" y3="-3.259246" z3="-1.317992">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="6.239318" y3="-3.412577" z3="1.08943">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="6.840042" y3="-3.663815" z3="-0.146045">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.486255" y3="-2.278182" z3="-2.162938">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="6.660624" y3="-3.44893" z3="-2.290704">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="6.732213" y3="-3.713155" z3="2.008891">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="7.804731" y3="-4.172634" z3="-0.184944">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-2.335625" y3="-4.352278" z3="0.008666">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-2.547788" y3="-5.052099" z3="1.211792">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-2.817544" y3="-4.941641" z3="-1.161143">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-3.210426" y3="-6.27025" z3="1.252896">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-3.475155" y3="-6.175127" z3="-1.143795">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-3.668877" y3="-6.843313" z3="0.067557">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-2.178404" y3="-4.606885" z3="2.14158">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-3.360977" y3="-6.777622" z3="2.207929">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-3.826519" y3="-6.612697" z3="-2.07368">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-4.185336" y3="-7.804622" z3="0.078677">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-4.341587" y3="2.31265" z3="0.02109">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-4.943506" y3="2.792889" z3="1.186041">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-5.03103" y3="2.518731" z3="-1.182148">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-6.173845" y3="3.445225" z3="1.153553">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-6.245667" y3="3.180397" z3="-1.236709">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-6.826577" y3="3.6389" z3="-0.061366">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.577965" y3="2.149357" z3="-2.10839">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-6.625332" y3="3.793631" z3="2.076571">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-6.743563" y3="3.329709" z3="-2.196592">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-7.788578" y3="4.153789" z3="-0.078803">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="2.328832" y3="4.326919" z3="-0.024181">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="2.770154" y3="4.939905" z3="-1.198764">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="2.568515" y3="5.010072" z3="1.17947">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="3.419843" y3="6.172936" z3="-1.178679">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="3.221081" y3="6.231056" z3="1.222456">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="3.655926" y3="6.816192" z3="0.037737">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="2.227039" y3="4.549785" z3="2.112952">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="3.737858" y3="6.63167" z3="-2.109294">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="3.394677" y3="6.723952" z3="2.180819">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="4.168231" y3="7.779681" z3="0.046361">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-2.566218" y3="-4.097979" z3="-2.861976">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-4.126076" y3="2.519508" z3="2.896425">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="2.443738" y3="4.136905" z3="-2.906064">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.269425" y3="-2.413343" z3="2.879116">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.00119" y3="-0.015665" z3="0.019422">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.0431,.2024,.0276;-1.8986,-.5861,.0137;-2.4012,-1.8974,.0311;-1.8965,3.8118,-.008;-.591,4.2141,-.0242;.216,3.0266,-.0015;-.5721,1.8823,.0231;-1.8841,2.3862,.0129;1.8843,-3.8498,.0073;.5782,-4.2461,.0031;-.2225,-3.0576,.0223;.5682,-1.9148,.0345;1.8772,-2.421,.0158;3.8302,1.8729,-.0116;4.2267,.5675,-.0002;3.0385,-.2353,-.0039;1.8964,.555,-.0106;2.4022,1.8649,-.0109;-3.8273,-1.9087,.0408;-4.2299,-.6028,.0485;-3.0437,1.6061,.0206;3.0389,-1.6406,.0036;1.6236,3.0269,-.0124;-1.6238,-3.0559,.0278;-2.7935,4.4303,-.0236;-.206,5.2289,-.0543;2.7802,-4.4692,-.0082;.1887,-5.2606,-.0141;4.4482,2.77,-.0085;5.2413,.1787,.0131;-4.4467,-2.8051,.055;-5.2452,-.2176,.0678;4.3427,-2.3425,-.0171;4.9822,-2.6017,-1.2414;5.0016,-2.7653,1.1452;6.2032,-3.2592,-1.318;6.2393,-3.4126,1.0894;6.84,-3.6638,-.146;4.4863,-2.2782,-2.1629;6.6606,-3.4489,-2.2907;6.7322,-3.7132,2.0089;7.8047,-4.1726,-.1849;-2.3356,-4.3523,.0087;-2.5478,-5.0521,1.2118;-2.8175,-4.9416,-1.1611;-3.2104,-6.2702,1.2529;-3.4752,-6.1751,-1.1438;-3.6689,-6.8433,.0676;-2.1784,-4.6069,2.1416;-3.361,-6.7776,2.2079;-3.8265,-6.6127,-2.0737;-4.1853,-7.8046,.0787;-4.3416,2.3127,.0211;-4.9435,2.7929,1.186;-5.031,2.5187,-1.1821;-6.1738,3.4452,1.1536;-6.2457,3.1804,-1.2367;-6.8266,3.6389,-.0614;-4.578,2.1494,-2.1084;-6.6253,3.7936,2.0766;-6.7436,3.3297,-2.1966;-7.7886,4.1538,-.0788;2.3288,4.3269,-.0242;2.7702,4.9399,-1.1988;2.5685,5.0101,1.1795;3.4198,6.1729,-1.1787;3.2211,6.2311,1.2225;3.6559,6.8162,.0377;2.227,4.5498,2.113;3.7379,6.6317,-2.1093;3.3947,6.724,2.1808;4.1682,7.7797,.0464;-2.5662,-4.098,-2.862;-4.1261,2.5195,2.8964;2.4437,4.1369,-2.9061;4.2694,-2.4133,2.8791;-.0012,-.0157,.0194;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0341305 0.0337956 0.0211964</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-1.644082" y3="-2.560573" z3="0.011384">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.396624" y3="-1.935094" z3="0.019043">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="0.507505" y3="-2.998587" z3="0.049204">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-4.257616" y3="0.169382" z3="-0.077876">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-3.980457" y3="1.511253" z3="-0.048651">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-2.55982" y3="1.641829" z3="-0.011515">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-1.934984" y3="0.394572" z3="-0.017933">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-2.998326" y3="-0.509185" z3="-0.049014">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="4.254885" y3="-0.1677" z3="-0.072177">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="3.979557" y3="-1.509875" z3="-0.043975">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="2.558843" y3="-1.642695" z3="-0.008663">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="1.932974" y3="-0.395802" z3="-0.015279">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="2.995337" y3="0.509437" z3="-0.044544">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="0.169067" y3="4.254833" z3="0.076765">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="1.511136" y3="3.978055" z3="0.049079">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.642475" y3="2.557566" z3="0.013489">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="0.39501" y3="1.932608" z3="0.019753">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-0.509426" y3="2.995774" z3="0.048787">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-0.170901" y3="-4.258094" z3="0.075918">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-1.512903" y3="-3.981336" z3="0.046453">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.870641" y3="-1.898895" z3="-0.026869">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.86737" y3="1.897284" z3="-0.023103">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="-1.898776" y3="2.867595" z3="0.026409">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="1.897439" y3="-2.870121" z3="0.027508">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-5.232405" y3="-0.318271" z3="-0.103175">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-4.683953" y3="2.344178" z3="-0.054291">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="5.229826" y3="0.319994" z3="-0.096471">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="4.684155" y3="-2.341778" z3="-0.049406">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="-0.317055" y3="5.230463" z3="0.100576">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="2.343696" y3="4.681878" z3="0.054455">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="0.316913" y3="-5.232736" z3="0.099951">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-2.34565" y3="-4.685021" z3="0.050616">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="4.102682" y3="2.720173" z3="-0.060994">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.620259" y3="3.143009" z3="-1.298579">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="4.810361" y3="3.113876" z3="1.083972">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="5.774765" y3="3.915409" z3="-1.394869">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="5.974709" y3="3.882421" z3="1.006816">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="6.456621" y3="4.283584" z3="-0.235938">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.08141" y3="2.851836" z3="-2.205074">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="6.142631" y3="4.227937" z3="-2.374801">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="6.500509" y3="4.163555" z3="1.920714">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="7.366224" y3="4.886207" z3="-0.290676">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="2.723162" y3="-4.103813" z3="0.066068">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="3.136876" y3="-4.62882" z3="1.30229">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="3.126625" y3="-4.802779" z3="-1.08148">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="3.9105" y3="-5.782925" z3="1.396573">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="3.895362" y3="-5.966698" z3="-1.006387">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="4.288066" y3="-6.456291" z3="0.236063">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="2.837639" y3="-4.097348" z3="2.21062">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="4.21565" y3="-6.157421" z3="2.376242">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="4.182569" y3="-6.487059" z3="-1.921443">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="4.891552" y3="-7.365444" z3="0.289278">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-4.105061" y3="-2.723935" z3="-0.069206">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-4.814769" y3="-3.121337" z3="1.072674">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.619128" y3="-3.143986" z3="-1.30704">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-5.977161" y3="-3.890326" z3="0.992155">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-5.772222" y3="-3.918102" z3="-1.407363">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-6.455588" y3="-4.289917" z3="-0.251928">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.078847" y3="-2.849373" z3="-2.211591">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-6.504624" y3="-4.172178" z3="1.904846">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-6.137884" y3="-4.228308" z3="-2.388848">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-7.363897" y3="-4.893973" z3="-0.311481">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="-2.723176" y3="4.102204" z3="0.065954">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="-3.117113" y3="4.811102" z3="-1.078354">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="-3.146433" y3="4.61792" z3="1.303002">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="-3.886348" y3="5.974601" z3="-1.000853">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="-3.920697" y3="5.771982" z3="1.399942">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="-4.288627" y3="6.454915" z3="0.241903">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="-2.854893" y3="4.078272" z3="2.208916">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="-4.166894" y3="6.500309" z3="-1.914982">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="-4.234079" y3="6.138434" z3="2.380142">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="-4.89185" y3="7.363977" z3="0.298796">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="2.615628" y3="-4.16897" z3="-2.805787">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-4.200211" y3="-2.60324" z3="2.800501">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="-2.595405" y3="4.191265" z3="-2.803715">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.186518" y3="2.592602" z3="2.808675">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.001151" y3="-0.001131" z3="0.001586">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.6441,-2.5606,.0114;-.3966,-1.9351,.019;.5075,-2.9986,.0492;-4.2576,.1694,-.0779;-3.9805,1.5113,-.0487;-2.5598,1.6418,-.0115;-1.935,.3946,-.0179;-2.9983,-.5092,-.049;4.2549,-.1677,-.0722;3.9796,-1.5099,-.044;2.5588,-1.6427,-.0087;1.933,-.3958,-.0153;2.9953,.5094,-.0445;.1691,4.2548,.0768;1.5111,3.9781,.0491;1.6425,2.5576,.0135;.395,1.9326,.0198;-.5094,2.9958,.0488;-.1709,-4.2581,.0759;-1.5129,-3.9813,.0465;-2.8706,-1.8989,-.0269;2.8674,1.8973,-.0231;-1.8988,2.8676,.0264;1.8974,-2.8701,.0275;-5.2324,-.3183,-.1032;-4.684,2.3442,-.0543;5.2298,.32,-.0965;4.6842,-2.3418,-.0494;-.3171,5.2305,.1006;2.3437,4.6819,.0545;.3169,-5.2327,.1;-2.3457,-4.685,.0506;4.1027,2.7202,-.061;4.6203,3.143,-1.2986;4.8104,3.1139,1.084;5.7748,3.9154,-1.3949;5.9747,3.8824,1.0068;6.4566,4.2836,-.2359;4.0814,2.8518,-2.2051;6.1426,4.2279,-2.3748;6.5005,4.1636,1.9207;7.3662,4.8862,-.2907;2.7232,-4.1038,.0661;3.1369,-4.6288,1.3023;3.1266,-4.8028,-1.0815;3.9105,-5.7829,1.3966;3.8954,-5.9667,-1.0064;4.2881,-6.4563,.2361;2.8376,-4.0973,2.2106;4.2157,-6.1574,2.3762;4.1826,-6.4871,-1.9214;4.8916,-7.3654,.2893;-4.1051,-2.7239,-.0692;-4.8148,-3.1213,1.0727;-4.6191,-3.144,-1.307;-5.9772,-3.8903,.9922;-5.7722,-3.9181,-1.4074;-6.4556,-4.2899,-.2519;-4.0788,-2.8494,-2.2116;-6.5046,-4.1722,1.9048;-6.1379,-4.2283,-2.3888;-7.3639,-4.894,-.3115;-2.7232,4.1022,.066;-3.1171,4.8111,-1.0784;-3.1464,4.6179,1.303;-3.8863,5.9746,-1.0009;-3.9207,5.772,1.3999;-4.2886,6.4549,.2419;-2.8549,4.0783,2.2089;-4.1669,6.5003,-1.915;-4.2341,6.1384,2.3801;-4.8918,7.364,.2988;2.6156,-4.169,-2.8058;-4.2002,-2.6032,2.8005;-2.5954,4.1913,-2.8037;4.1865,2.5926,2.8087;-.0012,-.0011,.0016;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340247 0.0339638 0.0209829</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.737848" y3="-2.949775" z3="-0.037438">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="1.139187" y3="-1.614525" z3="0.001562">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="2.531712" y3="-1.684065" z3="0.045413">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-3.040322" y3="-2.983015" z3="-0.039092">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-3.829623" y3="-1.864734" z3="0.019462">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-2.949492" y3="-0.73805" z3="0.036928">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-1.61428" y3="-1.139334" z3="-0.002016">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-1.683788" y3="-2.531881" z3="-0.045469">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="3.040539" y3="2.982491" z3="-0.039388">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="3.829646" y3="1.864207" z3="0.019585">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="2.949561" y3="0.737495" z3="0.037356">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="1.614391" y3="1.138933" z3="-0.001973">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="1.683836" y3="2.531374" z3="-0.0459">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="-2.982668" y3="3.040298" z3="0.038598">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="-1.864338" y3="3.829406" z3="-0.020166">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="-0.737617" y3="2.949332" z3="-0.037815">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="-1.139033" y3="1.614159" z3="0.001275">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-2.531527" y3="1.683571" z3="0.044996">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="2.98282" y3="-3.040626" z3="0.03948">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="1.864552" y3="-3.829941" z3="-0.019376">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-0.584807" y3="-3.389318" z3="-0.065135">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="0.584936" y3="3.38894" z3="-0.065711">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="-3.38907" y3="0.584611" z3="0.064635">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="3.389155" y3="-0.58504" z3="0.065433">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-3.354822" y3="-4.026654" z3="-0.066481">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-4.918305" y3="-1.809794" z3="0.041356">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="3.353752" y3="4.026492" z3="-0.067059">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="4.918348" y3="1.809219" z3="0.041614">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="-4.026665" y3="3.353523" z3="0.066206">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-1.809326" y3="4.918109" z3="-0.042045">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="4.02644" y3="-3.35513" z3="0.067422">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="1.809633" y3="-4.918625" z3="-0.040978">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="0.837306" y3="4.8531" z3="-0.132031">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="0.91736" y3="5.492451" z3="-1.379994">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="1.008191" y3="5.663716" z3="1.002443">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="1.153717" y3="6.860355" z3="-1.49719">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="1.24725" y3="7.036583" z3="0.906212">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="1.319703" y3="7.634957" z3="-0.34984">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="0.787872" y3="4.882703" z3="-2.278999">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="1.209221" y3="7.320967" z3="-2.486328">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="1.37603" y3="7.63434" z3="1.810756">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="1.506555" y3="8.708776" z3="-0.42523">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="4.853338" y3="-0.837148" z3="0.131781">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="5.492145" y3="-0.91525" z3="1.380327">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="5.66438" y3="-1.009369" z3="-1.001846">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="6.860035" y3="-1.151018" z3="1.498184">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="7.037359" y3="-1.247761" z3="-0.905055">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="7.635113" y3="-1.318803" z3="0.351343">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="4.881645" y3="-0.78439" z3="2.278597">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="7.320492" y3="-1.204666" z3="2.487517">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="7.635444" y3="-1.376957" z3="-1.80931">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="8.708928" y3="-1.50537" z3="0.427478">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-0.83707" y3="-4.853545" z3="-0.130386">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-1.009695" y3="-5.662978" z3="1.004689">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-0.91505" y3="-5.494307" z3="-1.37769">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-1.248248" y3="-7.035874" z3="0.909726">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-1.15092" y3="-6.862398" z3="-1.493798">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-1.319024" y3="-7.635552" z3="-0.345935">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-0.78401" y3="-4.885727" z3="-2.277268">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-1.377961" y3="-7.633231" z3="1.814379">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-1.204363" y3="-7.324276" z3="-2.482461">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-1.505766" y3="-8.709531" z3="-0.41937">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="-4.853274" y3="0.836854" z3="0.130279">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="-5.663174" y3="1.008686" z3="-1.004576">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="-5.493538" y3="0.915899" z3="1.377843">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="-7.036064" y3="1.247434" z3="-0.909202">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="-6.861451" y3="1.152771" z3="1.494392">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="-7.635386" y3="1.318591" z3="0.346653">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="-4.884502" y3="0.785775" z3="2.277248">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="-7.633701" y3="1.376994" z3="-1.813696">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="-7.322829" y3="1.207665" z3="2.483212">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="-8.709367" y3="1.505174" z3="0.420411">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="4.899155" y3="-0.920533" z3="-2.747016">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-0.921577" y3="-4.895397" z3="2.748537">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="-4.896243" y3="0.919544" z3="-2.748673">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="0.917722" y3="4.898061" z3="2.746975">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000087" y3="-0.00018" z3="-0.000348">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.7378,-2.9498,-.0374;1.1392,-1.6145,.0016;2.5317,-1.6841,.0454;-3.0403,-2.983,-.0391;-3.8296,-1.8647,.0195;-2.9495,-.738,.0369;-1.6143,-1.1393,-.002;-1.6838,-2.5319,-.0455;3.0405,2.9825,-.0394;3.8296,1.8642,.0196;2.9496,.7375,.0374;1.6144,1.1389,-.002;1.6838,2.5314,-.0459;-2.9827,3.0403,.0386;-1.8643,3.8294,-.0202;-.7376,2.9493,-.0378;-1.139,1.6142,.0013;-2.5315,1.6836,.045;2.9828,-3.0406,.0395;1.8646,-3.8299,-.0194;-.5848,-3.3893,-.0651;.5849,3.3889,-.0657;-3.3891,.5846,.0646;3.3892,-.585,.0654;-3.3548,-4.0267,-.0665;-4.9183,-1.8098,.0414;3.3538,4.0265,-.0671;4.9183,1.8092,.0416;-4.0267,3.3535,.0662;-1.8093,4.9181,-.042;4.0264,-3.3551,.0674;1.8096,-4.9186,-.041;.8373,4.8531,-.132;.9174,5.4925,-1.38;1.0082,5.6637,1.0024;1.1537,6.8604,-1.4972;1.2472,7.0366,.9062;1.3197,7.635,-.3498;.7879,4.8827,-2.279;1.2092,7.321,-2.4863;1.376,7.6343,1.8108;1.5066,8.7088,-.4252;4.8533,-.8371,.1318;5.4921,-.9153,1.3803;5.6644,-1.0094,-1.0018;6.86,-1.151,1.4982;7.0374,-1.2478,-.9051;7.6351,-1.3188,.3513;4.8816,-.7844,2.2786;7.3205,-1.2047,2.4875;7.6354,-1.377,-1.8093;8.7089,-1.5054,.4275;-.8371,-4.8535,-.1304;-1.0097,-5.663,1.0047;-.9151,-5.4943,-1.3777;-1.2482,-7.0359,.9097;-1.1509,-6.8624,-1.4938;-1.319,-7.6356,-.3459;-.784,-4.8857,-2.2773;-1.378,-7.6332,1.8144;-1.2044,-7.3243,-2.4825;-1.5058,-8.7095,-.4194;-4.8533,.8369,.1303;-5.6632,1.0087,-1.0046;-5.4935,.9159,1.3778;-7.0361,1.2474,-.9092;-6.8615,1.1528,1.4944;-7.6354,1.3186,.3467;-4.8845,.7858,2.2772;-7.6337,1.377,-1.8137;-7.3228,1.2077,2.4832;-8.7094,1.5052,.4204;4.8992,-.9205,-2.747;-.9216,-4.8954,2.7485;-4.8962,.9195,-2.7487;.9177,4.8981,2.747;.0001,-.0002,-.0003;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340059 0.0340027 0.0208399</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-1.729235" y3="-2.499369" z3="0.030238">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.46126" y3="-1.920936" z3="0.012552">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="0.404353" y3="-3.014061" z3="0.011699">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-4.248007" y3="0.321369" z3="-0.031053">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-3.926454" y3="1.649896" z3="-0.04571">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-2.500751" y3="1.731321" z3="-0.025315">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-1.922008" y3="0.463554" z3="-0.008604">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-3.015175" y3="-0.401999" z3="-0.00848">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="4.248909" y3="-0.320766" z3="-0.036555">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="3.926512" y3="-1.649286" z3="-0.051145">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="2.50115" y3="-1.728868" z3="-0.029292">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="1.923013" y3="-0.460926" z3="-0.011389">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="3.016933" y3="0.404081" z3="-0.011886">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="0.319876" y3="4.250575" z3="0.03449">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="1.649053" y3="3.929488" z3="0.048596">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.730387" y3="2.503499" z3="0.027971">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="0.462557" y3="1.924222" z3="0.011825">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-0.403294" y3="3.017923" z3="0.012011">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-0.319296" y3="-4.247025" z3="0.034035">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-1.648144" y3="-3.925228" z3="0.049464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-2.933245" y3="-1.795717" z3="0.029877">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="2.935037" y3="1.799368" z3="0.026603">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="-1.797687" y3="2.935275" z3="-0.025113">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="1.798244" y3="-2.93158" z3="-0.028711">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-5.23884" y3="-0.132768" z3="-0.031784">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-4.604225" y3="2.504077" z3="-0.070389">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="5.241872" y3="0.128578" z3="-0.038822">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="4.603184" y3="-2.504321" z3="-0.07709">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="-0.13026" y3="5.243266" z3="0.035583">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="2.50306" y3="4.607211" z3="0.072697">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="0.13469" y3="-5.237843" z3="0.033563">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-2.502576" y3="-4.602704" z3="0.073718">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="4.20535" y3="2.574771" z3="0.048732">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="4.800449" y3="2.976473" z3="-1.159231">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="4.872372" y3="2.943609" z3="1.232296">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="5.98839" y3="3.700718" z3="-1.193576">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="6.06371" y3="3.66974" z3="1.215482">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="6.622102" y3="4.047317" z3="-0.002986">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.299562" y3="2.704449" z3="-2.092688">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="6.420797" y3="3.995862" z3="-2.152557">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="6.553822" y3="3.937061" z3="2.153225">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="7.555772" y3="4.614842" z3="-0.012354">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="2.575664" y3="-4.200637" z3="-0.049316">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="2.972034" y3="-4.800373" z3="1.157905">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="2.950805" y3="-4.863482" z3="-1.235845">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="3.697031" y3="-5.988713" z3="1.191635">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="3.67686" y3="-6.055244" z3="-1.218841">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="4.05074" y3="-6.617102" z3="-0.000137">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="2.69504" y3="-4.30504" z3="2.092978">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="3.986333" y3="-6.425223" z3="2.150427">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="3.946571" y3="-6.543872" z3="-2.156648">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="4.619024" y3="-7.55036" z3="0.00847">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-4.203766" y3="-2.571924" z3="0.046928">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-4.869962" y3="-2.953559" z3="1.228606">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-4.80128" y3="-2.9609" z3="-1.16691">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-6.063658" y3="-3.679384" z3="1.204997">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-5.991266" y3="-3.68519" z3="-1.208328">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-6.624225" y3="-4.0463" z3="-0.019251">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.301254" y3="-2.677688" z3="-2.097549">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-6.552641" y3="-3.953213" z3="2.141624">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-6.425202" y3="-3.968023" z3="-2.170354">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-7.557864" y3="-4.613763" z3="-0.037421">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="-2.574059" y3="4.205371" z3="-0.044596">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="-2.95036" y3="4.871309" z3="-1.227445">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="-2.969131" y3="4.801792" z3="1.166763">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="-3.677136" y3="6.063972" z3="-1.207019">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="-3.696776" y3="5.989276" z3="1.204586">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="-4.047815" y3="6.624568" z3="0.014574">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="-2.691092" y3="4.301322" z3="2.098683">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="-3.949119" y3="6.551622" z3="-2.14484">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="-3.986811" y3="6.42141" z3="2.165267">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="-4.615065" y3="7.558375" z3="0.030132">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="2.45903" y3="-4.147238" z3="-2.934396">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-4.158293" y3="-2.473846" z3="2.933038">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="-2.463124" y3="4.15804" z3="-2.929084">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.158801" y3="2.446302" z3="2.930921">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.000506" y3="0.00159" z3="0.001316">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.7292,-2.4994,.0302;-.4613,-1.9209,.0126;.4044,-3.0141,.0117;-4.248,.3214,-.0311;-3.9265,1.6499,-.0457;-2.5008,1.7313,-.0253;-1.922,.4636,-.0086;-3.0152,-.402,-.0085;4.2489,-.3208,-.0366;3.9265,-1.6493,-.0511;2.5011,-1.7289,-.0293;1.923,-.4609,-.0114;3.0169,.4041,-.0119;.3199,4.2506,.0345;1.6491,3.9295,.0486;1.7304,2.5035,.028;.4626,1.9242,.0118;-.4033,3.0179,.012;-.3193,-4.247,.034;-1.6481,-3.9252,.0495;-2.9332,-1.7957,.0299;2.935,1.7994,.0266;-1.7977,2.9353,-.0251;1.7982,-2.9316,-.0287;-5.2388,-.1328,-.0318;-4.6042,2.5041,-.0704;5.2419,.1286,-.0388;4.6032,-2.5043,-.0771;-.1303,5.2433,.0356;2.5031,4.6072,.0727;.1347,-5.2378,.0336;-2.5026,-4.6027,.0737;4.2054,2.5748,.0487;4.8004,2.9765,-1.1592;4.8724,2.9436,1.2323;5.9884,3.7007,-1.1936;6.0637,3.6697,1.2155;6.6221,4.0473,-.003;4.2996,2.7044,-2.0927;6.4208,3.9959,-2.1526;6.5538,3.9371,2.1532;7.5558,4.6148,-.0124;2.5757,-4.2006,-.0493;2.972,-4.8004,1.1579;2.9508,-4.8635,-1.2358;3.697,-5.9887,1.1916;3.6769,-6.0552,-1.2188;4.0507,-6.6171,-.0001;2.695,-4.305,2.093;3.9863,-6.4252,2.1504;3.9466,-6.5439,-2.1566;4.619,-7.5504,.0085;-4.2038,-2.5719,.0469;-4.87,-2.9536,1.2286;-4.8013,-2.9609,-1.1669;-6.0637,-3.6794,1.205;-5.9913,-3.6852,-1.2083;-6.6242,-4.0463,-.0193;-4.3013,-2.6777,-2.0975;-6.5526,-3.9532,2.1416;-6.4252,-3.968,-2.1704;-7.5579,-4.6138,-.0374;-2.5741,4.2054,-.0446;-2.9504,4.8713,-1.2274;-2.9691,4.8018,1.1668;-3.6771,6.064,-1.207;-3.6968,5.9893,1.2046;-4.0478,6.6246,.0146;-2.6911,4.3013,2.0987;-3.9491,6.5516,-2.1448;-3.9868,6.4214,2.1653;-4.6151,7.5584,.0301;2.459,-4.1472,-2.9344;-4.1583,-2.4738,2.933;-2.4631,4.158,-2.9291;4.1588,2.4463,2.9309;.0005,.0016,.0013;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0338064 0.0337743 0.0212163</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.424921" y3="-3.032352" z3="-0.059914">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="0.44296" y3="-1.93935" z3="-0.061377">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="1.701686" y3="-2.517138" z3="-0.071055">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-3.949609" y3="-1.659265" z3="0.041728">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-4.278371" y3="-0.326586" z3="0.050083">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-3.042013" y3="0.394794" z3="0.016191">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-1.947664" y3="-0.471264" z3="0.012509">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-2.526351" y3="-1.731386" z3="0.016102">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="3.913068" y3="1.635266" z3="0.057113">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="4.242891" y3="0.302293" z3="0.050585">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="3.005356" y3="-0.418201" z3="0.009485">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="1.911823" y3="0.44999" z3="0.016949">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="2.489001" y3="1.708852" z3="0.03579">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="-1.667416" y3="3.920651" z3="-0.027041">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="-0.332861" y3="4.248674" z3="-0.025966">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="0.387632" y3="3.012793" z3="-0.007736">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="-0.477877" y3="1.919152" z3="-0.025464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-1.739622" y3="2.496859" z3="-0.023908">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="1.628315" y3="-3.941265" z3="-0.08961">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="0.294452" y3="-4.269982" z3="-0.093919">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-1.814493" y3="-2.941226" z3="-0.02064">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="1.778852" y3="2.92157" z3="0.021905">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="-2.951821" y3="1.784631" z3="-0.00426">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="2.914474" y3="-1.805044" z3="-0.030334">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-4.614231" y3="-2.524082" z3="0.057011">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-5.261958" y3="0.136471" z3="0.07925">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="4.571996" y3="2.503726" z3="0.08153">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="5.226844" y3="-0.16013" z3="0.073776">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="-2.535754" y3="4.580333" z3="-0.033167">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="0.130161" y3="5.2326" z3="-0.035559">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="2.492257" y3="-4.6065" z3="-0.102043">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-0.169143" y3="-5.253498" z3="-0.114959">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="2.574393" y3="4.175076" z3="-0.042472">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="2.994668" y3="4.697307" z3="-1.278182">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="2.962245" y3="4.906264" z3="1.106009">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="3.732577" y3="5.873395" z3="-1.375425">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="3.708218" y3="6.086882" z3="1.029146">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="4.082714" y3="6.573233" z3="-0.223384">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="2.728856" y3="4.149298" z3="-2.188568">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="4.035785" y3="6.240999" z3="-2.358603">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="3.991107" y3="6.622162" z3="1.934278">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="4.663037" y3="7.495479" z3="-0.294763">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="4.172049" y3="-2.592388" z3="0.045963">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="4.660639" y3="-3.028724" z3="1.289537">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="4.944127" y3="-2.94428" z3="-1.085675">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="5.841783" y3="-3.755123" z3="1.405831">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="6.133413" y3="-3.673842" z3="-0.988839">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="6.57743" y3="-4.079537" z3="0.267971">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="4.082202" y3="-2.781744" z3="2.18626">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="6.18598" y3="-4.069307" z3="2.394048">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="6.709105" y3="-3.915091" z3="-1.881253">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="7.504427" y3="-4.650123" z3="0.355264">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-2.607617" y3="-4.196213" z3="-0.06981">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-2.962384" y3="-4.919734" z3="1.091874">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-3.053011" y3="-4.727227" z3="-1.293533">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-3.70171" y3="-6.106244" z3="1.039887">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-3.786185" y3="-5.907079" z3="-1.36538">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-4.111406" y3="-6.595111" z3="-0.197881">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-2.808276" y3="-4.188001" z3="-2.214952">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-3.953079" y3="-6.646013" z3="1.951831">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-4.106149" y3="-6.289081" z3="-2.337607">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-4.689632" y3="-7.52041" z3="-0.240206">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="-4.20638" y3="2.57687" z3="0.063647">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="-4.929097" y3="2.964615" z3="-1.087302">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="-4.734847" y3="2.99496" z3="1.298095">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="-6.112054" y3="3.707356" z3="-1.015829">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="-5.9042" y3="3.742145" z3="1.38911">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="-6.606943" y3="4.076004" z3="0.233174">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="-4.192106" y3="2.729941" z3="2.211815">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="-6.64561" y3="3.992965" z3="-1.921171">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="-6.278369" y3="4.048338" z3="2.368801">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="-7.532259" y3="4.652788" z3="0.291364">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="4.416517" y3="-2.37767" z3="-2.827858">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-2.407385" y3="-4.315326" z3="2.810681">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="-4.319216" y3="2.469836" z3="-2.821977">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="2.471399" y3="4.308749" z3="2.843127">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.017919" y3="-0.010835" z3="-0.018715">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4249,-3.0324,-.0599;.443,-1.9393,-.0614;1.7017,-2.5171,-.0711;-3.9496,-1.6593,.0417;-4.2784,-.3266,.0501;-3.042,.3948,.0162;-1.9477,-.4713,.0125;-2.5264,-1.7314,.0161;3.9131,1.6353,.0571;4.2429,.3023,.0506;3.0054,-.4182,.0095;1.9118,.45,.0169;2.489,1.7089,.0358;-1.6674,3.9207,-.027;-.3329,4.2487,-.026;.3876,3.0128,-.0077;-.4779,1.9192,-.0255;-1.7396,2.4969,-.0239;1.6283,-3.9413,-.0896;.2945,-4.27,-.0939;-1.8145,-2.9412,-.0206;1.7789,2.9216,.0219;-2.9518,1.7846,-.0043;2.9145,-1.805,-.0303;-4.6142,-2.5241,.057;-5.262,.1365,.0793;4.572,2.5037,.0815;5.2268,-.1601,.0738;-2.5358,4.5803,-.0332;.1302,5.2326,-.0356;2.4923,-4.6065,-.102;-.1691,-5.2535,-.115;2.5744,4.1751,-.0425;2.9947,4.6973,-1.2782;2.9622,4.9063,1.106;3.7326,5.8734,-1.3754;3.7082,6.0869,1.0291;4.0827,6.5732,-.2234;2.7289,4.1493,-2.1886;4.0358,6.241,-2.3586;3.9911,6.6222,1.9343;4.663,7.4955,-.2948;4.172,-2.5924,.046;4.6606,-3.0287,1.2895;4.9441,-2.9443,-1.0857;5.8418,-3.7551,1.4058;6.1334,-3.6738,-.9888;6.5774,-4.0795,.268;4.0822,-2.7817,2.1863;6.186,-4.0693,2.394;6.7091,-3.9151,-1.8813;7.5044,-4.6501,.3553;-2.6076,-4.1962,-.0698;-2.9624,-4.9197,1.0919;-3.053,-4.7272,-1.2935;-3.7017,-6.1062,1.0399;-3.7862,-5.9071,-1.3654;-4.1114,-6.5951,-.1979;-2.8083,-4.188,-2.215;-3.9531,-6.646,1.9518;-4.1061,-6.2891,-2.3376;-4.6896,-7.5204,-.2402;-4.2064,2.5769,.0636;-4.9291,2.9646,-1.0873;-4.7348,2.995,1.2981;-6.1121,3.7074,-1.0158;-5.9042,3.7421,1.3891;-6.6069,4.076,.2332;-4.1921,2.7299,2.2118;-6.6456,3.993,-1.9212;-6.2784,4.0483,2.3688;-7.5323,4.6528,.2914;4.4165,-2.3777,-2.8279;-2.4074,-4.3153,2.8107;-4.3192,2.4698,-2.822;2.4714,4.3087,2.8431;-.0179,-.0108,-.0187;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0338387 0.0335878 0.0208315</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.027454" y3="-0.283558" z3="0.023107">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.765784" y3="-0.882023" z3="0.016117">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.047874" y3="-2.249777" z3="0.029169">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-2.484024" y3="3.45198" z3="-0.035932">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-1.259672" y3="4.06174" z3="-0.029407">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-0.277681" y3="3.022939" z3="-0.015415">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="-0.876107" y3="1.761216" z3="-0.00473">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-2.243779" y3="2.043147" z3="-0.015794">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="2.484078" y3="-3.463452" z3="-0.027992">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="1.259428" y3="-4.073129" z3="-0.019324">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="0.278349" y3="-3.033662" z3="-0.005973">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="0.877052" y3="-1.772031" z3="0.000421">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="2.244589" y3="-2.054724" z3="-0.011887">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.457876" y3="2.479435" z3="0.026079">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="4.06789" y3="1.255019" z3="0.01967">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="3.028883" y3="0.273266" z3="0.012371">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.767076" y3="0.871653" z3="0.006707">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.049463" y3="2.239594" z3="0.01336">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.456559" y3="-2.48976" z3="0.046183">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-4.066204" y3="-1.265207" z3="0.036724">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-3.261623" y3="1.090408" z3="0.005094">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="3.262647" y3="-1.100958" z3="0.001327">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="1.096317" y3="3.257132" z3="-0.003918">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-1.095362" y3="-3.267174" z3="0.009527">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="-3.46985" y3="3.917736" z3="-0.045008">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="-1.045081" y3="5.130736" z3="-0.041882">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="3.469168" y3="-3.93069" z3="-0.037312">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="1.044209" y3="-5.142052" z3="-0.029269">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="3.925403" y3="3.464514" z3="0.030429">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="5.136873" y3="1.040584" z3="0.027082">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-3.922472" y3="-3.475478" z3="0.055427">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.135233" y3="-1.050281" z3="0.046016">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="4.671595" y3="-1.576531" z3="-0.01882">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="5.319045" y3="-1.809391" z3="-1.243592">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="5.420186" y3="-1.824556" z3="1.143445">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="6.631441" y3="-2.268648" z3="-1.310122">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="6.735792" y3="-2.289966" z3="1.098094">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="7.341211" y3="-2.512474" z3="-0.13666">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="4.759101" y3="-1.6192" z3="-2.163931">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="7.10103" y3="-2.437902" z3="-2.281831">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="7.28266" y3="-2.475622" z3="2.024793">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="8.370527" y3="-2.876793" z3="-0.171603">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-1.570776" y3="-4.676009" z3="0.024815">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-1.796093" y3="-5.332077" z3="1.246152">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-1.829146" y3="-5.416028" z3="-1.141616">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-2.256275" y3="-6.645046" z3="1.307902">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-2.297079" y3="-6.73098" z3="-1.101444">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-2.509562" y3="-7.346391" z3="0.131222">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-1.599479" y3="-4.778925" z3="2.169402">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-2.419727" y3="-7.120513" z3="2.277685">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-2.49431" y3="-7.269678" z3="-2.030537">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-2.875145" y3="-8.37544" z3="0.161505">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-4.670745" y3="1.565663" z3="-0.019521">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-5.420129" y3="1.834359" z3="1.136817">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-5.317326" y3="1.778468" z3="-1.249102">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-6.735401" y3="2.300092" z3="1.082395">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-6.629841" y3="2.236876" z3="-1.325605">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-7.341633" y3="2.50038" z3="-0.157367">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-4.755787" y3="1.573005" z3="-2.165221">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-7.280921" y3="2.504339" z3="2.005946">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-7.097322" y3="2.39069" z3="-2.300943">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-8.370834" y3="2.864045" z3="-0.201143">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="1.571649" y3="4.666293" z3="0.013994">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="1.831814" y3="5.411411" z3="-1.14755">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="1.79247" y3="5.317532" z3="1.240022">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="2.297367" y3="6.727586" z3="-1.101355">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="2.249656" y3="6.631563" z3="1.308046">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="2.507758" y3="7.337799" z3="0.134657">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="1.592758" y3="4.759825" z3="2.159739">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="2.492562" y3="7.270559" z3="-2.02841">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="2.408391" y3="7.103619" z3="2.280397">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="2.872222" y3="8.367011" z3="0.17183">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-1.539248" y3="-4.619307" z3="-2.846672">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-4.639954" y3="1.561289" z3="2.851919">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="1.542123" y3="4.623642" z3="-2.856722">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="4.635553" y3="-1.513894" z3="2.851015">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.00067" y3="-0.005209" z3="0.005487">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.0275,-.2836,.0231;-1.7658,-.882,.0161;-2.0479,-2.2498,.0292;-2.484,3.452,-.0359;-1.2597,4.0617,-.0294;-.2777,3.0229,-.0154;-.8761,1.7612,-.0047;-2.2438,2.0431,-.0158;2.4841,-3.4635,-.028;1.2594,-4.0731,-.0193;.2783,-3.0337,-.006;.8771,-1.772,.0004;2.2446,-2.0547,-.0119;3.4579,2.4794,.0261;4.0679,1.255,.0197;3.0289,.2733,.0124;1.7671,.8717,.0067;2.0495,2.2396,.0134;-3.4566,-2.4898,.0462;-4.0662,-1.2652,.0367;-3.2616,1.0904,.0051;3.2626,-1.101,.0013;1.0963,3.2571,-.0039;-1.0954,-3.2672,.0095;-3.4699,3.9177,-.045;-1.0451,5.1307,-.0419;3.4692,-3.9307,-.0373;1.0442,-5.1421,-.0293;3.9254,3.4645,.0304;5.1369,1.0406,.0271;-3.9225,-3.4755,.0554;-5.1352,-1.0503,.046;4.6716,-1.5765,-.0188;5.319,-1.8094,-1.2436;5.4202,-1.8246,1.1434;6.6314,-2.2686,-1.3101;6.7358,-2.29,1.0981;7.3412,-2.5125,-.1367;4.7591,-1.6192,-2.1639;7.101,-2.4379,-2.2818;7.2827,-2.4756,2.0248;8.3705,-2.8768,-.1716;-1.5708,-4.676,.0248;-1.7961,-5.3321,1.2462;-1.8291,-5.416,-1.1416;-2.2563,-6.645,1.3079;-2.2971,-6.731,-1.1014;-2.5096,-7.3464,.1312;-1.5995,-4.7789,2.1694;-2.4197,-7.1205,2.2777;-2.4943,-7.2697,-2.0305;-2.8751,-8.3754,.1615;-4.6707,1.5657,-.0195;-5.4201,1.8344,1.1368;-5.3173,1.7785,-1.2491;-6.7354,2.3001,1.0824;-6.6298,2.2369,-1.3256;-7.3416,2.5004,-.1574;-4.7558,1.573,-2.1652;-7.2809,2.5043,2.0059;-7.0973,2.3907,-2.3009;-8.3708,2.864,-.2011;1.5716,4.6663,.014;1.8318,5.4114,-1.1476;1.7925,5.3175,1.24;2.2974,6.7276,-1.1014;2.2497,6.6316,1.308;2.5078,7.3378,.1347;1.5928,4.7598,2.1597;2.4926,7.2706,-2.0284;2.4084,7.1036,2.2804;2.8722,8.367,.1718;-1.5392,-4.6193,-2.8467;-4.64,1.5613,2.8519;1.5421,4.6236,-2.8567;4.6356,-1.5139,2.851;.0007,-.0052,.0055;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0339930 0.0339369 0.0210971</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-2.138944" y3="2.161052" z3="-0.037259">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.803263" y3="0.807748" z3="0.001219">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-3.036639" y3="0.157456" z3="0.044271">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.094009" y3="4.116145" z3="-0.038205">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="2.343219" y3="3.556816" z3="0.019574">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.160791" y3="2.138723" z3="0.036491">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="0.807533" y3="1.802987" z3="-0.001759">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="0.157189" y3="3.036357" z3="-0.044654">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-1.094829" y3="-4.116149" z3="-0.037625">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-2.343871" y3="-3.556642" z3="0.020186">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.161397" y3="-2.138571" z3="0.037122">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-0.808082" y3="-1.803038" z3="-0.001371">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-0.157804" y3="-3.03633" z3="-0.044335">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="4.115925" y3="-1.094443" z3="0.037731">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="3.556446" y3="-2.343525" z3="-0.019971">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="2.138351" y3="-2.161136" z3="-0.036936">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.80275" y3="-0.807845" z3="0.001281">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="3.036049" y3="-0.157463" z3="0.044181">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-4.116403" y3="1.094315" z3="0.037935">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-3.55706" y3="2.343522" z3="-0.020081">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-1.225348" y3="3.213648" z3="-0.064302">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="1.224814" y3="-3.213779" z3="-0.063955">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.213443" y3="1.225122" z3="0.063573">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.213932" y3="-1.225092" z3="0.064239">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="0.832235" y3="5.174254" z3="-0.065169">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="3.307603" y3="4.064984" z3="0.041101">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-0.831824" y3="-5.173932" z3="-0.064561">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-3.308335" y3="-4.064716" z3="0.041793">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="5.173703" y3="-0.831407" z3="0.064724">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="4.064553" y3="-3.307969" z3="-0.041393">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-5.17451" y3="0.832565" z3="0.065204">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.065227" y3="3.307907" z3="-0.041515">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="1.754156" y3="-4.602161" z3="-0.129187">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="2.009294" y3="-5.19502" z3="-1.376534">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="2.022078" y3="-5.384939" z3="1.006146">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="2.502741" y3="-6.492641" z3="-1.492284">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="2.515805" y3="-6.688142" z3="0.911414">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="2.756397" y3="-7.241891" z3="-0.344186">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="1.808567" y3="-4.605896" z3="-2.276206">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="2.688186" y3="-6.918888" z3="-2.481003">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="2.71109" y3="-7.266633" z3="1.816599">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="3.142634" y3="-8.261191" z3="-0.418549">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.602226" y3="-1.754572" z3="0.129426">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.193563" y3="-2.011493" z3="1.377339">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.386224" y3="-2.021046" z3="-1.005085">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.490922" y3="-2.505361" z3="1.493747">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-6.689244" y3="-2.515287" z3="-0.90981">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.241646" y3="-2.757245" z3="0.346132">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.602991" y3="-1.811934" z3="2.276296">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-6.915998" y3="-2.692606" z3="2.48265">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.268375" y3="-2.709905" z3="-1.814717">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.260834" y3="-3.14364" z3="0.421198">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-1.754748" y3="4.60202" z3="-0.129004">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-2.02025" y3="5.385369" z3="1.006512">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-2.012627" y3="5.19434" z3="-1.376067">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-2.514363" y3="6.688355" z3="0.912346">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-2.506528" y3="6.491844" z3="-1.491441">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-2.757366" y3="7.241661" z3="-0.343194">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-1.814045" y3="4.60487" z3="-2.275993">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-2.708341" y3="7.267544" z3="1.817341">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-2.69454" y3="6.917534" z3="-2.479918">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-3.143732" y3="8.261019" z3="-0.416154">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.601793" y3="1.754561" z3="0.128378">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.384888" y3="2.020907" z3="-1.007104">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.194465" y3="2.011412" z3="1.37554">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="6.687963" y3="2.514899" z3="-0.912854">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.492317" y3="2.504465" z3="1.491027">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.241422" y3="2.757474" z3="0.342734">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.605256" y3="1.8119" z3="2.275436">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.267107" y3="2.709127" z3="-1.817831">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="6.918505" y3="2.691128" z3="2.479548">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.26071" y3="3.144001" z3="0.415765">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.679682" y3="-1.710002" z3="-2.749432">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-1.70766" y3="4.678002" z3="2.749952">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.677146" y3="1.709418" z3="-2.7506">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="1.712976" y3="-4.676861" z3="2.749877">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.000269" y3="-0.000067" z3="-0.000192">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.1389,2.1611,-.0373;-1.8033,.8077,.0012;-3.0366,.1575,.0443;1.094,4.1161,-.0382;2.3432,3.5568,.0196;2.1608,2.1387,.0365;.8075,1.803,-.0018;.1572,3.0364,-.0447;-1.0948,-4.1161,-.0376;-2.3439,-3.5566,.0202;-2.1614,-2.1386,.0371;-.8081,-1.803,-.0014;-.1578,-3.0363,-.0443;4.1159,-1.0944,.0377;3.5564,-2.3435,-.02;2.1384,-2.1611,-.0369;1.8028,-.8078,.0013;3.036,-.1575,.0442;-4.1164,1.0943,.0379;-3.5571,2.3435,-.0201;-1.2253,3.2136,-.0643;1.2248,-3.2138,-.064;3.2134,1.2251,.0636;-3.2139,-1.2251,.0642;.8322,5.1743,-.0652;3.3076,4.065,.0411;-.8318,-5.1739,-.0646;-3.3083,-4.0647,.0418;5.1737,-.8314,.0647;4.0646,-3.308,-.0414;-5.1745,.8326,.0652;-4.0652,3.3079,-.0415;1.7542,-4.6022,-.1292;2.0093,-5.195,-1.3765;2.0221,-5.3849,1.0061;2.5027,-6.4926,-1.4923;2.5158,-6.6881,.9114;2.7564,-7.2419,-.3442;1.8086,-4.6059,-2.2762;2.6882,-6.9189,-2.481;2.7111,-7.2666,1.8166;3.1426,-8.2612,-.4185;-4.6022,-1.7546,.1294;-5.1936,-2.0115,1.3773;-5.3862,-2.021,-1.0051;-6.4909,-2.5054,1.4937;-6.6892,-2.5153,-.9098;-7.2416,-2.7572,.3461;-4.603,-1.8119,2.2763;-6.916,-2.6926,2.4827;-7.2684,-2.7099,-1.8147;-8.2608,-3.1436,.4212;-1.7547,4.602,-.129;-2.0202,5.3854,1.0065;-2.0126,5.1943,-1.3761;-2.5144,6.6884,.9123;-2.5065,6.4918,-1.4914;-2.7574,7.2417,-.3432;-1.814,4.6049,-2.276;-2.7083,7.2675,1.8173;-2.6945,6.9175,-2.4799;-3.1437,8.261,-.4162;4.6018,1.7546,.1284;5.3849,2.0209,-1.0071;5.1945,2.0114,1.3755;6.688,2.5149,-.9129;6.4923,2.5045,1.491;7.2414,2.7575,.3427;4.6053,1.8119,2.2754;7.2671,2.7091,-1.8178;6.9185,2.6911,2.4795;8.2607,3.144,.4158;-4.6797,-1.71,-2.7494;-1.7077,4.678,2.75;4.6771,1.7094,-2.7506;1.713,-4.6769,2.7499;-.0003,-.0001,-.0002;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340048 0.0340017 0.0208447</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.648194" y3="2.98779" z3="0.033477">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-0.292344" y3="1.960624" z3="-0.000609">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-1.513292" y3="2.631261" z3="-0.01855">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="4.070415" y3="1.359599" z3="-0.079358">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="4.279618" y3="-0.002147" z3="-0.112774">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="3.000965" y3="-0.618486" z3="-0.070284">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="1.976108" y3="0.3220" z3="-0.039409">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="2.647658" y3="1.54173" z3="-0.032922">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-4.020645" y3="-1.355667" z3="-0.066805">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-4.233721" y3="0.004187" z3="-0.115201">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.958306" y3="0.627921" z3="-0.081985">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-1.93108" y3="-0.31088" z3="-0.038471">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-2.597719" y3="-1.534208" z3="-0.014035">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="1.37829" y3="-4.037814" z3="0.102954">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="0.017084" y3="-4.247745" z3="0.146341">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="-0.604359" y3="-2.971543" z3="0.088352">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="0.336833" y3="-1.946713" z3="0.036699">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="1.55867" y3="-2.615126" z3="0.03302">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-1.331591" y3="4.055505" z3="0.026682">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="0.029512" y3="4.266297" z3="0.067255">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="2.02876" y3="2.795346" z3="0.035126">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="-1.981606" y3="-2.782791" z3="0.078917">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="2.810332" y3="-1.996892" z3="-0.052295">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-2.767871" y3="2.010462" z3="-0.087193">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="4.80939" y3="2.161635" z3="-0.069025">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="5.220833" y3="-0.549994" z3="-0.132159">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-4.761222" y3="-2.156452" z3="-0.047945">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-5.1774" y3="0.547562" z3="-0.141428">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="2.178016" y3="-4.779316" z3="0.10144">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-0.528525" y3="-5.189592" z3="0.184494">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-2.133577" y3="4.793918" z3="0.010521">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="0.575798" y3="5.208172" z3="0.089486">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="-2.841907" y3="-3.987887" z3="0.128216">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="-3.183736" y3="-4.645865" z3="-1.069722">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="-3.351782" y3="-4.521664" z3="1.317531">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="-3.974528" y3="-5.793506" z3="-1.091444">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="-4.165845" y3="-5.660806" z3="1.309866">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="-4.471455" y3="-6.297857" z3="0.11349">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="-2.792514" y3="-4.23991" z3="-2.00792">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="-4.207086" y3="-6.283802" z3="-2.039328">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="-4.563679" y3="-6.043408" z3="2.250472">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="-5.101768" y3="-7.190045" z3="0.125307">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-3.978296" y3="2.866285" z3="-0.112949">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-4.558675" y3="3.277186" z3="1.100952">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-4.592295" y3="3.297959" z3="-1.295736">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-5.706887" y3="4.065411" z3="1.145802">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-5.734432" y3="4.106323" z3="-1.264709">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-6.289098" y3="4.488107" z3="-0.051448">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.092609" y3="2.944651" z3="2.033812">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-6.138451" y3="4.353109" z3="2.106942">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-6.184726" y3="4.43833" z3="-2.200764">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-7.18472" y3="5.113677" z3="-0.043674">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="2.886045" y3="4.003856" z3="0.07444">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="3.344211" y3="4.571007" z3="1.270857">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="3.275057" y3="4.628931" z3="-1.119527">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="4.15197" y3="5.709576" z3="1.269787">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="4.062482" y3="5.777375" z3="-1.134202">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="4.507938" y3="6.310048" z3="0.07367">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="2.923446" y3="4.199206" z3="-2.06275">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="4.505008" y3="6.118811" z3="2.217088">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="4.332297" y3="6.24698" z3="-2.082565">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="5.135228" y3="7.204275" z3="0.085807">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.018228" y3="-2.854573" z3="-0.084086">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="4.569427" y3="-3.350613" z3="-1.274069">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="4.658251" y3="-3.211149" z3="1.115126">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="5.707682" y3="-4.163282" z3="-1.263086">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="5.802582" y3="-4.007745" z3="1.140074">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="6.327427" y3="-4.481292" z3="-0.063442">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.239389" y3="-2.832771" z3="2.052887">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="6.101651" y3="-4.548343" z3="-2.204306">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="6.280199" y3="-4.25439" z3="2.090814">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="7.220385" y3="-5.110527" z3="-0.068371">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-3.886197" y3="2.788905" z3="-3.000234">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="2.8774" y3="3.788239" z3="2.950839">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="3.762967" y3="-2.938521" z3="-2.957599">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="-2.965766" y3="-3.694921" z3="2.997964">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="0.022592" y3="0.007015" z3="-0.012959">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6482,2.9878,.0335;-.2923,1.9606,-.0006;-1.5133,2.6313,-.0186;4.0704,1.3596,-.0794;4.2796,-.0021,-.1128;3.001,-.6185,-.0703;1.9761,.322,-.0394;2.6477,1.5417,-.0329;-4.0206,-1.3557,-.0668;-4.2337,.0042,-.1152;-2.9583,.6279,-.082;-1.9311,-.3109,-.0385;-2.5977,-1.5342,-.014;1.3783,-4.0378,.103;.0171,-4.2477,.1463;-.6044,-2.9715,.0884;.3368,-1.9467,.0367;1.5587,-2.6151,.033;-1.3316,4.0555,.0267;.0295,4.2663,.0673;2.0288,2.7953,.0351;-1.9816,-2.7828,.0789;2.8103,-1.9969,-.0523;-2.7679,2.0105,-.0872;4.8094,2.1616,-.069;5.2208,-.55,-.1322;-4.7612,-2.1565,-.0479;-5.1774,.5476,-.1414;2.178,-4.7793,.1014;-.5285,-5.1896,.1845;-2.1336,4.7939,.0105;.5758,5.2082,.0895;-2.8419,-3.9879,.1282;-3.1837,-4.6459,-1.0697;-3.3518,-4.5217,1.3175;-3.9745,-5.7935,-1.0914;-4.1658,-5.6608,1.3099;-4.4715,-6.2979,.1135;-2.7925,-4.2399,-2.0079;-4.2071,-6.2838,-2.0393;-4.5637,-6.0434,2.2505;-5.1018,-7.19,.1253;-3.9783,2.8663,-.1129;-4.5587,3.2772,1.101;-4.5923,3.298,-1.2957;-5.7069,4.0654,1.1458;-5.7344,4.1063,-1.2647;-6.2891,4.4881,-.0514;-4.0926,2.9447,2.0338;-6.1385,4.3531,2.1069;-6.1847,4.4383,-2.2008;-7.1847,5.1137,-.0437;2.886,4.0039,.0744;3.3442,4.571,1.2709;3.2751,4.6289,-1.1195;4.152,5.7096,1.2698;4.0625,5.7774,-1.1342;4.5079,6.31,.0737;2.9234,4.1992,-2.0627;4.505,6.1188,2.2171;4.3323,6.247,-2.0826;5.1352,7.2043,.0858;4.0182,-2.8546,-.0841;4.5694,-3.3506,-1.2741;4.6583,-3.2111,1.1151;5.7077,-4.1633,-1.2631;5.8026,-4.0077,1.1401;6.3274,-4.4813,-.0634;4.2394,-2.8328,2.0529;6.1017,-4.5483,-2.2043;6.2802,-4.2544,2.0908;7.2204,-5.1105,-.0684;-3.8862,2.7889,-3.0002;2.8774,3.7882,2.9508;3.763,-2.9385,-2.9576;-2.9658,-3.6949,2.998;.0226,.007,-.013;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340913 0.0337288 0.0214636</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="2.288332" y3="2.006936" z3="-0.030008">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="0.919098" y3="1.755367" z3="0.009284">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="0.342949" y3="3.026186" z3="0.055882">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="4.043308" y3="-1.349442" z3="-0.063562">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="3.408769" y3="-2.556816" z3="-0.000755">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.005567" y3="-2.288633" z3="0.029351">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="1.753506" y3="-0.919296" z3="-0.008871">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="3.024245" y3="-0.343052" z3="-0.056154">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-4.043277" y3="1.359304" z3="-0.059708">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-3.40583" y3="2.56549" z3="0.002499">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.004798" y3="2.292575" z3="0.031392">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-1.754934" y3="0.923013" z3="-0.007019">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-3.026821" y3="0.349397" z3="-0.053317">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="-1.352238" y3="-4.043921" z3="0.064723">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="-2.560078" y3="-3.409239" z3="0.002683">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="-2.291343" y3="-2.006065" z3="-0.027011">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="-0.921758" y3="-1.753965" z3="0.010796">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-0.345751" y3="-3.025517" z3="0.057266">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="1.349534" y3="4.04483" z3="0.062006">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="2.557083" y3="3.409524" z3="-0.001011">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="3.286213" y3="1.032851" z3="-0.068064">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="-3.290192" y3="-1.030355" z3="-0.064922">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="1.031318" y3="-3.287225" z3="0.067977">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-1.031881" y3="3.287583" z3="0.068432">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="5.115985" y3="-1.15792" z3="-0.099933">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="3.854316" y3="-3.551792" z3="0.015972">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-5.116299" y3="1.171235" z3="-0.09521">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-3.848139" y3="3.562185" z3="0.019445">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="-1.161468" y3="-5.116768" z3="0.100545">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-3.555014" y3="-3.854565" z3="-0.013747">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="1.158357" y3="5.117499" z3="0.097706">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="3.552471" y3="3.854472" z3="-0.018552">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="-4.69753" y3="-1.507109" z3="-0.136189">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="-5.26894" y3="-1.750727" z3="-1.394612">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="-5.526778" y3="-1.741639" z3="0.979626">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="-6.576481" y3="-2.198946" z3="-1.541715">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="-6.841818" y3="-2.187419" z3="0.846937">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="-7.367182" y3="-2.415918" z3="-0.419019">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="-4.645894" y3="-1.57964" z3="-2.276076">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="-6.980605" y3="-2.377831" z3="-2.54131">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="-7.447467" y3="-2.352108" z3="1.736817">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="-8.397311" y3="-2.766798" z3="-0.520452">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-1.509156" y3="4.693564" z3="0.139294">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-1.751443" y3="5.269019" z3="1.396654">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-1.746181" y3="5.519924" z3="-0.981158">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-2.200818" y3="6.577998" z3="1.541512">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-2.192839" y3="6.8356" z3="-0.851183">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-2.41975" y3="7.365798" z3="0.4159">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-1.578641" y3="4.648608" z3="2.279841">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-2.378688" y3="6.98485" z3="2.540168">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-2.359788" y3="7.438347" z3="-1.742625">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-2.771049" y3="8.39609" z3="0.5151">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="4.694107" y3="1.509063" z3="-0.139325">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="5.527287" y3="1.744579" z3="0.975464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="5.263992" y3="1.752013" z3="-1.402974">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="6.843996" y3="2.190501" z3="0.838412">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="6.573697" y3="2.200737" z3="-1.556136">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="7.369364" y3="2.418715" z3="-0.434537">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="4.637981" y3="1.580211" z3="-2.282331">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="7.451442" y3="2.355946" z3="1.727053">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="6.97424" y3="2.378654" z3="-2.557507">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="8.399379" y3="2.76912" z3="-0.539911">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="1.508159" y3="-4.694798" z3="0.138593">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="1.742306" y3="-5.525595" z3="-0.977527">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="1.752673" y3="-5.266185" z3="1.400531">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="2.188848" y3="-6.842345" z3="-0.843554">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="2.20139" y3="-6.576248" z3="1.550303">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="2.41916" y3="-7.369033" z3="0.426778">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="1.581681" y3="-4.641875" z3="2.281221">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="2.352972" y3="-7.448295" z3="-1.733499">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="2.38038" y3="-6.978932" z3="2.550596">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="2.770276" y3="-8.399064" z3="0.529614">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-1.459277" y3="4.862601" z3="-2.75127">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="4.88853" y3="1.459229" z3="2.752209">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="1.452529" y3="-4.879536" z3="-2.750851">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="-4.874783" y3="-1.451006" z3="2.750693">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.00125" y3="0.000834" z3="0.001221">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.2883,2.0069,-.03;.9191,1.7554,.0093;.3429,3.0262,.0559;4.0433,-1.3494,-.0636;3.4088,-2.5568,-.0008;2.0056,-2.2886,.0294;1.7535,-.9193,-.0089;3.0242,-.3431,-.0562;-4.0433,1.3593,-.0597;-3.4058,2.5655,.0025;-2.0048,2.2926,.0314;-1.7549,.923,-.007;-3.0268,.3494,-.0533;-1.3522,-4.0439,.0647;-2.5601,-3.4092,.0027;-2.2913,-2.0061,-.027;-.9218,-1.754,.0108;-.3458,-3.0255,.0573;1.3495,4.0448,.062;2.5571,3.4095,-.001;3.2862,1.0329,-.0681;-3.2902,-1.0304,-.0649;1.0313,-3.2872,.068;-1.0319,3.2876,.0684;5.116,-1.1579,-.0999;3.8543,-3.5518,.016;-5.1163,1.1712,-.0952;-3.8481,3.5622,.0194;-1.1615,-5.1168,.1005;-3.555,-3.8546,-.0137;1.1584,5.1175,.0977;3.5525,3.8545,-.0186;-4.6975,-1.5071,-.1362;-5.2689,-1.7507,-1.3946;-5.5268,-1.7416,.9796;-6.5765,-2.1989,-1.5417;-6.8418,-2.1874,.8469;-7.3672,-2.4159,-.419;-4.6459,-1.5796,-2.2761;-6.9806,-2.3778,-2.5413;-7.4475,-2.3521,1.7368;-8.3973,-2.7668,-.5205;-1.5092,4.6936,.1393;-1.7514,5.269,1.3967;-1.7462,5.5199,-.9812;-2.2008,6.578,1.5415;-2.1928,6.8356,-.8512;-2.4198,7.3658,.4159;-1.5786,4.6486,2.2798;-2.3787,6.9848,2.5402;-2.3598,7.4383,-1.7426;-2.771,8.3961,.5151;4.6941,1.5091,-.1393;5.5273,1.7446,.9755;5.264,1.752,-1.403;6.844,2.1905,.8384;6.5737,2.2007,-1.5561;7.3694,2.4187,-.4345;4.638,1.5802,-2.2823;7.4514,2.3559,1.7271;6.9742,2.3787,-2.5575;8.3994,2.7691,-.5399;1.5082,-4.6948,.1386;1.7423,-5.5256,-.9775;1.7527,-5.2662,1.4005;2.1888,-6.8423,-.8436;2.2014,-6.5762,1.5503;2.4192,-7.369,.4268;1.5817,-4.6419,2.2812;2.353,-7.4483,-1.7335;2.3804,-6.9789,2.5506;2.7703,-8.3991,.5296;-1.4593,4.8626,-2.7513;4.8885,1.4592,2.7522;1.4525,-4.8795,-2.7509;-4.8748,-1.451,2.7507;-.0013,.0008,.0012;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0335717 0.0335312 0.0205210</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-1.436753" y3="2.679714" z3="-0.039472">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.499481" y3="1.286937" z3="0.000717">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.866688" y3="1.013828" z3="0.044918">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="2.218598" y3="3.635843" z3="-0.038489">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="3.257372" y3="2.744648" z3="0.021249">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.679456" y3="1.436867" z3="0.038373">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="1.286712" y3="1.499522" z3="-0.001708">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="1.013555" y3="2.866741" z3="-0.045828">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-2.219096" y3="-3.635426" z3="-0.038139">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-3.257641" y3="-2.744095" z3="0.021542">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.679691" y3="-1.436351" z3="0.038694">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-1.286949" y3="-1.49923" z3="-0.001477">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-1.013823" y3="-2.866351" z3="-0.045608">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.635567" y3="-2.218725" z3="0.03837">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="2.744262" y3="-3.257327" z3="-0.021281">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.436465" y3="-2.679454" z3="-0.0387">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.499263" y3="-1.286711" z3="0.001152">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.866408" y3="-1.013484" z3="0.045432">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.63576" y3="2.218909" z3="0.037796">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-2.744551" y3="3.25768" z3="-0.022078">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-0.261733" y3="3.429363" z3="-0.066935">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="0.261493" y3="-3.429179" z3="-0.066395">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.42916" y3="0.261826" z3="0.066126">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.429321" y3="-0.261479" z3="0.066315">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="2.268442" y3="4.724694" z3="-0.066189">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="4.326402" y3="2.957682" z3="0.044015">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-2.267592" y3="-4.724315" z3="-0.065791">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-4.326726" y3="-2.957009" z3="0.0443">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.724456" y3="-2.26716" z3="0.066274">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="2.957213" y3="-4.326406" z3="-0.043747">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.724601" y3="2.268773" z3="0.065797">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-2.957587" y3="4.32671" z3="-0.04464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="0.374926" y3="-4.910642" z3="-0.133358">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="0.452805" y3="-5.549601" z3="-1.38158">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="0.4084" y3="-5.73904" z3="1.000783">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="0.55816" y3="-6.933717" z3="-1.499391">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="0.512534" y3="-7.1286" z3="0.903939">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="0.587716" y3="-7.725919" z3="-0.352465">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="0.428379" y3="-4.926362" z3="-2.280317">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="0.61618" y3="-7.393486" z3="-2.488787">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="0.534718" y3="-7.740124" z3="1.808173">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="0.66925" y3="-8.812781" z3="-0.428489">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.910729" y3="-0.375068" z3="0.133417">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.548535" y3="-0.454744" z3="1.382344">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.740031" y3="-0.407259" z3="-0.999754">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.932486" y3="-0.560612" z3="1.501001">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-7.129542" y3="-0.512047" z3="-0.902171">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.725758" y3="-0.588454" z3="0.354675">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.924085" y3="-0.431557" z3="2.280243">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-7.391518" y3="-0.620449" z3="2.490653">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.741594" y3="-0.533923" z3="-1.806042">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.812539" y3="-0.670222" z3="0.431588">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-0.375203" y3="4.910841" z3="-0.133195">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-0.406815" y3="5.73881" z3="1.001366">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-0.455262" y3="5.550378" z3="-1.381013">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-0.511396" y3="7.128299" z3="0.905396">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-0.561057" y3="6.93455" z3="-1.498124">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-0.588305" y3="7.726183" z3="-0.350843">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-0.432557" y3="4.927668" z3="-2.280167">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-0.532744" y3="7.739928" z3="1.809558">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-0.62127" y3="7.394789" z3="-2.487173">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-0.669916" y3="8.813166" z3="-0.425134">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.910616" y3="0.375351" z3="0.132732">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.738823" y3="0.407633" z3="-1.001601">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.549936" y3="0.454514" z3="1.380758">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="7.128328" y3="0.512058" z3="-0.905268">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.934162" y3="0.559311" z3="1.49827">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.725963" y3="0.588808" z3="0.351124">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.927018" y3="0.430961" z3="2.279749">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.740184" y3="0.533384" z3="-1.80928">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="7.394286" y3="0.618156" z3="2.487457">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.812906" y3="0.670635" z3="0.42571">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.977762" y3="-0.307481" z3="-2.745671">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-0.306064" y3="4.97458" z3="2.746076">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.974994" y3="0.307589" z3="-2.746527">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="0.310049" y3="-4.975732" z3="2.745955">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.000127" y3="0.000101" z3="-0.000395">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.4368,2.6797,-.0395;-1.4995,1.2869,.0007;-2.8667,1.0138,.0449;2.2186,3.6358,-.0385;3.2574,2.7446,.0212;2.6795,1.4369,.0384;1.2867,1.4995,-.0017;1.0136,2.8667,-.0458;-2.2191,-3.6354,-.0381;-3.2576,-2.7441,.0215;-2.6797,-1.4364,.0387;-1.2869,-1.4992,-.0015;-1.0138,-2.8664,-.0456;3.6356,-2.2187,.0384;2.7443,-3.2573,-.0213;1.4365,-2.6795,-.0387;1.4993,-1.2867,.0012;2.8664,-1.0135,.0454;-3.6358,2.2189,.0378;-2.7446,3.2577,-.0221;-.2617,3.4294,-.0669;.2615,-3.4292,-.0664;3.4292,.2618,.0661;-3.4293,-.2615,.0663;2.2684,4.7247,-.0662;4.3264,2.9577,.044;-2.2676,-4.7243,-.0658;-4.3267,-2.957,.0443;4.7245,-2.2672,.0663;2.9572,-4.3264,-.0437;-4.7246,2.2688,.0658;-2.9576,4.3267,-.0446;.3749,-4.9106,-.1334;.4528,-5.5496,-1.3816;.4084,-5.739,1.0008;.5582,-6.9337,-1.4994;.5125,-7.1286,.9039;.5877,-7.7259,-.3525;.4284,-4.9264,-2.2803;.6162,-7.3935,-2.4888;.5347,-7.7401,1.8082;.6693,-8.8128,-.4285;-4.9107,-.3751,.1334;-5.5485,-.4547,1.3823;-5.74,-.4073,-.9998;-6.9325,-.5606,1.501;-7.1295,-.512,-.9022;-7.7258,-.5885,.3547;-4.9241,-.4316,2.2802;-7.3915,-.6204,2.4907;-7.7416,-.5339,-1.806;-8.8125,-.6702,.4316;-.3752,4.9108,-.1332;-.4068,5.7388,1.0014;-.4553,5.5504,-1.381;-.5114,7.1283,.9054;-.5611,6.9345,-1.4981;-.5883,7.7262,-.3508;-.4326,4.9277,-2.2802;-.5327,7.7399,1.8096;-.6213,7.3948,-2.4872;-.6699,8.8132,-.4251;4.9106,.3754,.1327;5.7388,.4076,-1.0016;5.5499,.4545,1.3808;7.1283,.5121,-.9053;6.9342,.5593,1.4983;7.726,.5888,.3511;4.927,.431,2.2797;7.7402,.5334,-1.8093;7.3943,.6182,2.4875;8.8129,.6706,.4257;-4.9778,-.3075,-2.7457;-.3061,4.9746,2.7461;4.975,.3076,-2.7465;.31,-4.9757,2.746;-.0001,.0001,-.0004;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340031 0.0339993 0.0208332</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">C44H24Br4FeN4(2-)</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="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-1.436753" y3="2.679714" z3="-0.039472">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.499481" y3="1.286937" z3="0.000717">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.866688" y3="1.013828" z3="0.044918">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="2.218598" y3="3.635843" z3="-0.038489">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="3.257372" y3="2.744648" z3="0.021249">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.679456" y3="1.436867" z3="0.038373">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="1.286712" y3="1.499522" z3="-0.001708">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="1.013555" y3="2.866741" z3="-0.045828">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-2.219096" y3="-3.635426" z3="-0.038139">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-3.257641" y3="-2.744095" z3="0.021542">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.679691" y3="-1.436351" z3="0.038694">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-1.286949" y3="-1.49923" z3="-0.001477">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-1.013823" y3="-2.866351" z3="-0.045608">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.635567" y3="-2.218725" z3="0.03837">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="2.744262" y3="-3.257327" z3="-0.021281">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.436465" y3="-2.679454" z3="-0.0387">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.499263" y3="-1.286711" z3="0.001152">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.866408" y3="-1.013484" z3="0.045432">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.63576" y3="2.218909" z3="0.037796">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-2.744551" y3="3.25768" z3="-0.022078">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-0.261733" y3="3.429363" z3="-0.066935">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="0.261493" y3="-3.429179" z3="-0.066395">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.42916" y3="0.261826" z3="0.066126">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.429321" y3="-0.261479" z3="0.066315">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="2.268442" y3="4.724694" z3="-0.066189">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="4.326402" y3="2.957682" z3="0.044015">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-2.267592" y3="-4.724315" z3="-0.065791">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-4.326726" y3="-2.957009" z3="0.0443">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.724456" y3="-2.26716" z3="0.066274">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="2.957213" y3="-4.326406" z3="-0.043747">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.724601" y3="2.268773" z3="0.065797">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-2.957587" y3="4.32671" z3="-0.04464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="0.374926" y3="-4.910642" z3="-0.133358">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="0.452805" y3="-5.549601" z3="-1.38158">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="0.4084" y3="-5.73904" z3="1.000783">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="0.55816" y3="-6.933717" z3="-1.499391">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="0.512534" y3="-7.1286" z3="0.903939">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="0.587716" y3="-7.725919" z3="-0.352465">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="0.428379" y3="-4.926362" z3="-2.280317">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="0.61618" y3="-7.393486" z3="-2.488787">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="0.534718" y3="-7.740124" z3="1.808173">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="0.66925" y3="-8.812781" z3="-0.428489">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.910729" y3="-0.375068" z3="0.133417">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.548535" y3="-0.454744" z3="1.382344">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.740031" y3="-0.407259" z3="-0.999754">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.932486" y3="-0.560612" z3="1.501001">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-7.129542" y3="-0.512047" z3="-0.902171">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.725758" y3="-0.588454" z3="0.354675">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.924085" y3="-0.431557" z3="2.280243">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-7.391518" y3="-0.620449" z3="2.490653">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.741594" y3="-0.533923" z3="-1.806042">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.812539" y3="-0.670222" z3="0.431588">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-0.375203" y3="4.910841" z3="-0.133195">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-0.406815" y3="5.73881" z3="1.001366">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-0.455262" y3="5.550378" z3="-1.381013">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-0.511396" y3="7.128299" z3="0.905396">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-0.561057" y3="6.93455" z3="-1.498124">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-0.588305" y3="7.726183" z3="-0.350843">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-0.432557" y3="4.927668" z3="-2.280167">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-0.532744" y3="7.739928" z3="1.809558">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-0.62127" y3="7.394789" z3="-2.487173">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-0.669916" y3="8.813166" z3="-0.425134">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.910616" y3="0.375351" z3="0.132732">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.738823" y3="0.407633" z3="-1.001601">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.549936" y3="0.454514" z3="1.380758">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="7.128328" y3="0.512058" z3="-0.905268">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.934162" y3="0.559311" z3="1.49827">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.725963" y3="0.588808" z3="0.351124">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.927018" y3="0.430961" z3="2.279749">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.740184" y3="0.533384" z3="-1.80928">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="7.394286" y3="0.618156" z3="2.487457">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.812906" y3="0.670635" z3="0.42571">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.977762" y3="-0.307481" z3="-2.745671">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-0.306064" y3="4.97458" z3="2.746076">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.974994" y3="0.307589" z3="-2.746527">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="0.310049" y3="-4.975732" z3="2.745955">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.000127" y3="0.000101" z3="-0.000395">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.4368,2.6797,-.0395;-1.4995,1.2869,.0007;-2.8667,1.0138,.0449;2.2186,3.6358,-.0385;3.2574,2.7446,.0212;2.6795,1.4369,.0384;1.2867,1.4995,-.0017;1.0136,2.8667,-.0458;-2.2191,-3.6354,-.0381;-3.2576,-2.7441,.0215;-2.6797,-1.4364,.0387;-1.2869,-1.4992,-.0015;-1.0138,-2.8664,-.0456;3.6356,-2.2187,.0384;2.7443,-3.2573,-.0213;1.4365,-2.6795,-.0387;1.4993,-1.2867,.0012;2.8664,-1.0135,.0454;-3.6358,2.2189,.0378;-2.7446,3.2577,-.0221;-.2617,3.4294,-.0669;.2615,-3.4292,-.0664;3.4292,.2618,.0661;-3.4293,-.2615,.0663;2.2684,4.7247,-.0662;4.3264,2.9577,.044;-2.2676,-4.7243,-.0658;-4.3267,-2.957,.0443;4.7245,-2.2672,.0663;2.9572,-4.3264,-.0437;-4.7246,2.2688,.0658;-2.9576,4.3267,-.0446;.3749,-4.9106,-.1334;.4528,-5.5496,-1.3816;.4084,-5.739,1.0008;.5582,-6.9337,-1.4994;.5125,-7.1286,.9039;.5877,-7.7259,-.3525;.4284,-4.9264,-2.2803;.6162,-7.3935,-2.4888;.5347,-7.7401,1.8082;.6693,-8.8128,-.4285;-4.9107,-.3751,.1334;-5.5485,-.4547,1.3823;-5.74,-.4073,-.9998;-6.9325,-.5606,1.501;-7.1295,-.512,-.9022;-7.7258,-.5885,.3547;-4.9241,-.4316,2.2802;-7.3915,-.6204,2.4907;-7.7416,-.5339,-1.806;-8.8125,-.6702,.4316;-.3752,4.9108,-.1332;-.4068,5.7388,1.0014;-.4553,5.5504,-1.381;-.5114,7.1283,.9054;-.5611,6.9345,-1.4981;-.5883,7.7262,-.3508;-.4326,4.9277,-2.2802;-.5327,7.7399,1.8096;-.6213,7.3948,-2.4872;-.6699,8.8132,-.4251;4.9106,.3754,.1327;5.7388,.4076,-1.0016;5.5499,.4545,1.3808;7.1283,.5121,-.9053;6.9342,.5593,1.4983;7.726,.5888,.3511;4.927,.431,2.2797;7.7402,.5334,-1.8093;7.3943,.6182,2.4875;8.8129,.6706,.4257;-4.9778,-.3075,-2.7457;-.3061,4.9746,2.7461;4.975,.3076,-2.7465;.31,-4.9757,2.746;-.0001,.0001,-.0004;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0340031 0.0339993 0.0208332</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=   971   971   971   971   971 MxSgAt=    77 MxSgA2=    77.</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=   971   971   971   971   971 MxSgAt=    77 MxSgA2=    77.</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">2.31055284e-04 1.01966508e-03 2.42002084e-03</array>
</module>
<module cmlx:templateRef="l716.forces">
<list cmlx:templateRef="force">
<array dataType="xsd:integer" dictRef="x:serial" size="77">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 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77</array>
<array dataType="xsd:integer" dictRef="x:elementType" size="77">6 7 6 6 6 6 7 6 6 6 6 7 6 6 6 6 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 6 6 6 6 6 6 1 1 1 1 6 6 6 6 6 6 1 1 1 1 6 6 6 6 6 6 1 1 1 1 6 6 6 6 6 6 1 1 1 1 35 35 35 35 26</array>
<list>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000021926 -0.000022480 -0.000169484</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000302157 0.000172627 0.000050021</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000072587 0.000065792 0.000038551</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000022283 -0.000251806 0.000012556</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000165159 0.000228215 -0.000059426</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000046849 0.000035228 0.000199644</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000196811 -0.000311536 -0.000074570</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000061735 0.000106654 -0.000009461</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000337194 0.000222098 -0.000011711</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000296792 -0.000170136 -0.000037903</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000037192 0.000106670 0.000181347</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000236142 0.000220491 -0.000075138</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000007467 -0.000009436 0.000020205</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000185464 -0.000330856 0.000001823</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000177928 0.000281986 0.000046693</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000055530 0.000015538 -0.000187773</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000243688 -0.000244912 0.000082641</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000035176 0.000041492 -0.000017152</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000241376 0.000034790 -0.000017729</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000244520 -0.000138338 0.000052997</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000007508 -0.000118984 -0.000029386</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000060181 0.000046925 -0.000044495</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000057129 0.000009079 0.000039270</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000121111 -0.000103476 -0.000091379</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000053505 0.000004670 0.000014352</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000017827 -0.000058386 -0.000091446</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000082744 -0.000000545 0.000016962</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000031886 0.000052740 -0.000089285</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000003621 0.000084111 -0.000018389</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000052952 -0.000026571 0.000087715</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000001199 0.000054711 -0.000018045</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000056570 0.000015714 0.000087289</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000095168 0.000026993 0.000127538</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000026193 -0.000076310 -0.000008156</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000035296 0.000063727 -0.000061004</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000018177 -0.000051106 -0.000019927</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000081770 -0.000026206 -0.000007074</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000028879 0.000014730 -0.000029116</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000013788 -0.000015604 0.000019469</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000011384 0.000035028 0.000005582</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000035548 -0.000058630 -0.000062261</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000003342 0.000021385 0.000045678</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000011149 -0.000120923 0.000220612</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000095822 0.000045264 -0.000195080</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000066443 0.000017811 -0.000199977</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000002757 -0.000052265 0.000071268</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000085585 0.000036526 0.000053348</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000007547 0.000037971 0.000036672</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000024256 0.000016427 0.000018485</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000032172 -0.000009473 -0.000011580</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000049915 0.000008390 0.000065496</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000020513 0.000011934 -0.000041711</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000112817 -0.000105078 0.000084828</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000004242 0.000002609 -0.000027647</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000062730 0.000071205 0.000004350</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000048638 -0.000038652 -0.000218758</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000056103 0.000034902 -0.000002404</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000030634 0.000004066 0.000224144</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000011679 0.000032150 0.000033858</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000007871 0.000105000 -0.000024431</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000011486 -0.000021830 0.000000291</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000014841 -0.000010053 -0.000066124</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000097253 0.000084776 -0.000064646</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000021575 0.000036405 0.000002227</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000077783 0.000068108 0.000004988</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000049106 -0.000127677 0.000209635</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000034245 -0.000144759 -0.000001454</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000017169 0.000162561 -0.000219325</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000027249 -0.000007582 -0.000031322</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000109800 -0.000047557 0.000022570</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000014011 -0.000004648 0.000001615</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000012677 -0.000001685 0.000063003</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000041292 -0.000063376 -0.000033266</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000053590 0.000059843 0.000108091</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000064667 0.000062981 -0.000107738</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000061673 -0.000080304 0.000113119</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000005922 -0.000009139 0.000006839</array>
</list>
</list>
<list cmlx:templateRef="cartesianforce">
<scalar dataType="xsd:double" dictRef="cc:maxforce">0.000337194</scalar>
<scalar dataType="xsd:double" dictRef="cc:rmsforce">0.000100917</scalar>
</list>
</module>
<module cmlx:templateRef="l716">
<list cmlx:templateRef="l716">
<scalar dataType="xsd:string" dictRef="g:l716">(Enter /ccc/products/gaussian-16-C.02/system/skylake/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">-13467.4544896089</scalar>
</list>
</module>
<module cmlx:templateRef="l502.ediff">
<list cmlx:templateRef="l502.ediff">
<list>
<scalar dataType="xsd:double" dictRef="g:l502.e">-13467.4544895999</scalar>
<scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000009006</scalar>
</list>
</list>
</module>
<module cmlx:templateRef="l502.ediff">
<list cmlx:templateRef="l502.ediff">
<list>
<scalar dataType="xsd:double" dictRef="g:l502.e">-13467.4544863209</scalar>
<scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000003279023</scalar>
</list>
</list>
</module>
<module cmlx:templateRef="l502.ediff">
<list cmlx:templateRef="l502.ediff">
<list>
<scalar dataType="xsd:double" dictRef="g:l502.e">-13467.4544895357</scalar>
<scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000003214767</scalar>
</list>
</list>
</module>
<module cmlx:templateRef="l502.ediff">
<list cmlx:templateRef="l502.ediff">
<list>
<scalar dataType="xsd:double" dictRef="g:l502.e">-13467.4544896660</scalar>
<scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000130332</scalar>
</list>
</list>
</module>
<module cmlx:templateRef="l502.ediff">
<list cmlx:templateRef="l502.ediff">
<list>
<scalar dataType="xsd:double" dictRef="g:l502.e">-13467.4544896674</scalar>
<scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001417</scalar>
</list>
</list>
</module>
<module cmlx:templateRef="l502.ediff">
<list cmlx:templateRef="l502.ediff">
<list>
<scalar dataType="xsd:double" dictRef="g:l502.e">-13467.4544896676</scalar>
<scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000220</scalar>
</list>
</list>
</module>
<module cmlx:templateRef="l502.ediff">
<list cmlx:templateRef="l502.ediff">
<list>
<scalar dataType="xsd:double" dictRef="g:l502.e">-13467.4544896677</scalar>
<scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000018</scalar>
</list>
</list>
</module>
<module cmlx:templateRef="l502.ediff">
<list cmlx:templateRef="l502.ediff">
<list>
<scalar dataType="xsd:double" dictRef="g:l502.e">-13467.4544896680</scalar>
<scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000327</scalar>
</list>
</list>
</module>
<module cmlx:templateRef="l502.ediff">
<list cmlx:templateRef="l502.ediff">
<list>
<scalar dataType="xsd:double" dictRef="g:l502.e">-13467.4544896679</scalar>
<scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000129</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">-13467.4544897</scalar>
<scalar dataType="xsd:integer" dictRef="cc:ncycle">10</scalar>
</list>
</list>
<module cmlx:templateRef="scfdone">
<list cmlx:templateRef="scfdone">
<list>
<scalar dataType="xsd:double" dictRef="cc:kinener">1.343775111304e+04</scalar>
<scalar dataType="xsd:double" dictRef="cc:potener">-5.380421124333e+04</scalar>
<scalar dataType="xsd:double" dictRef="cc:eener">1.607183395365e+04</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=  4831838208 LenX=  4829736587 LenY=  4828703315</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 /ccc/products/gaussian-16-C.02/system/skylake/g16/l716.exe)</scalar>
</list>
</module>
</module>
</module>
<module dictRef="cc:finalization" id="finalization">
<propertyList>
<property dictRef="cc:jobtime">
<scalar dataType="xsd:string">PT537584.200S</scalar>
</property>
<property dictRef="cc:jobdatetime.end">
<scalar dataType="xsd:string">Mon Feb  2 20:50:34 2026</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="77">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 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="77">C N C C C C N C C C C N C C C C N C C C C C C C H H H H H H H H C C C C C C H H H H C C C C C C H H H H C C C C C C H H H H C C C C C C H H H H Br Br Br Br Fe</array>
<array dataType="xsd:double" dictRef="x:charge" size="77">0.144235 -0.477094 0.145102 -0.124109 -0.125884 0.144287 -0.477081 0.145136 -0.123919 -0.125710 0.144280 -0.477044 0.144759 -0.123932 -0.125746 0.144344 -0.477047 0.144774 -0.124128 -0.125865 -0.089934 -0.089947 -0.089920 -0.089943 0.016258 0.016300 0.016239 0.016313 0.016250 0.016302 0.016256 0.016307 -0.078602 -0.046927 -0.028829 -0.050806 -0.037185 -0.056628 0.049914 0.063177 0.056470 0.066964 -0.078695 -0.046783 -0.028797 -0.050783 -0.037175 -0.056631 0.049944 0.063184 0.056496 0.066982 -0.078436 -0.028731 -0.046974 -0.037407 -0.050723 -0.056698 0.049925 0.056493 0.063190 0.066955 -0.078509 -0.028727 -0.046957 -0.037395 -0.050721 -0.056700 0.049926 0.056493 0.063193 0.066958 -0.073264 -0.073142 -0.073144 -0.073084 0.522350</array>
</list>
<scalar dataType="xsd:double" dictRef="x:chargesum">-2.00000</scalar>
</module>
</property>
<property dictRef="cc:popanal">
<module cmlx:templateRef="l601.popanal">
<array dataType="xsd:double" dictRef="g:alphaocc" size="242">-482.06237 -482.06236 -482.06235 -482.06235 -255.47151 -62.34139 -62.34137 -62.34137 -62.34137 -56.06517 -56.06515 -56.06515 -56.06514 -56.06230 -56.06228 -56.06228 -56.06227 -56.06219 -56.06217 -56.06217 -56.06216 -29.86222 -25.66207 -25.66207 -25.65507 -14.15273 -14.15273 -14.15270 -14.15269 -10.10520 -10.10520 -10.10519 -10.10519 -10.07368 -10.07366 -10.07366 -10.07364 -10.06790 -10.06787 -10.06787 -10.06786 -10.06434 -10.06433 -10.06432 -10.06432 -10.06218 -10.06217 -10.06217 -10.06216 -10.06168 -10.06167 -10.06167 -10.06166 -10.05180 -10.05178 -10.05178 -10.05175 -10.05168 -10.05167 -10.05166 -10.05166 -10.03541 -10.03539 -10.03539 -10.03536 -10.02600 -10.02599 -10.02598 -10.02597 -10.02556 -10.02556 -10.02555 -10.02554 -8.68501 -8.68500 -8.68500 -8.68499 -6.46375 -6.46374 -6.46373 -6.46372 -6.44878 -6.44877 -6.44876 -6.44876 -6.44784 -6.44782 -6.44782 -6.44781 -3.32371 -2.53422 -2.53420 -2.53420 -2.53419 -2.53102 -2.53100 -2.53100 -2.53099 -2.53040 -2.53039 -2.53038 -2.53038 -2.51890 -2.51889 -2.51888 -2.51888 -2.51888 -2.51887 -2.51887 -2.51887 -2.07400 -2.07400 -2.06959 -0.88248 -0.87254 -0.87253 -0.86180 -0.82790 -0.82607 -0.82607 -0.82534 -0.76006 -0.75470 -0.75467 -0.75442 -0.75316 -0.74282 -0.74282 -0.73199 -0.69608 -0.69607 -0.69564 -0.69388 -0.68910 -0.68550 -0.68550 -0.67995 -0.67308 -0.66920 -0.66920 -0.64893 -0.64133 -0.59157 -0.59156 -0.57150 -0.56072 -0.56034 -0.56033 -0.55375 -0.54629 -0.54629 -0.54453 -0.52505 -0.51210 -0.49515 -0.49515 -0.49468 -0.47058 -0.47029 -0.46844 -0.46844 -0.46684 -0.44714 -0.44714 -0.44618 -0.44424 -0.43025 -0.43024 -0.42931 -0.42875 -0.42624 -0.42623 -0.40985 -0.39848 -0.39803 -0.39802 -0.38327 -0.37724 -0.37716 -0.37716 -0.37671 -0.37362 -0.36821 -0.36821 -0.36393 -0.35379 -0.35267 -0.35240 -0.35239 -0.35048 -0.34925 -0.34804 -0.34804 -0.33885 -0.33885 -0.33835 -0.33199 -0.32040 -0.31564 -0.31369 -0.31160 -0.31159 -0.31107 -0.31031 -0.31030 -0.30966 -0.30491 -0.30491 -0.30017 -0.29941 -0.28567 -0.28564 -0.28563 -0.28479 -0.26999 -0.26991 -0.25737 -0.25736 -0.25580 -0.25409 -0.25409 -0.24983 -0.23467 -0.23339 -0.23339 -0.23091 -0.22706 -0.22705 -0.21801 -0.21712 -0.21711 -0.21606 -0.21363 -0.20732 -0.20732 -0.19802 -0.15960 -0.15266 -0.10869 -0.09724 -0.09724 -0.09305</array>
<array dataType="xsd:double" dictRef="g:alphavirt" size="709">-0.06296 -0.06296 -0.03551 -0.03496 -0.03424 -0.03387 -0.03386 -0.03308 -0.03307 -0.03169 -0.02890 -0.00352 -0.00314 -0.00310 -0.00276 0.01446 0.04320 0.05894 0.06356 0.06356 0.07619 0.09044 0.09044 0.09056 0.09201 0.09896 0.10449 0.11044 0.11045 0.11123 0.11314 0.11560 0.11615 0.11617 0.12094 0.12095 0.12294 0.12616 0.12836 0.13063 0.13063 0.13622 0.14897 0.14897 0.15534 0.15663 0.15664 0.15723 0.16218 0.16669 0.16670 0.16679 0.16909 0.18658 0.19047 0.19931 0.19931 0.21846 0.21847 0.21902 0.23056 0.24088 0.24113 0.24114 0.24472 0.24981 0.25238 0.25859 0.25860 0.25952 0.26746 0.26747 0.27707 0.27738 0.28173 0.28175 0.28248 0.28983 0.29435 0.29748 0.29748 0.29807 0.30215 0.30296 0.30460 0.30463 0.31153 0.31421 0.32162 0.32250 0.32250 0.34207 0.34207 0.34260 0.34878 0.35408 0.35408 0.36124 0.36432 0.36628 0.36629 0.37761 0.37923 0.38896 0.39290 0.39291 0.40045 0.40249 0.40250 0.40338 0.40994 0.40996 0.41000 0.41321 0.41335 0.41453 0.41493 0.41770 0.42026 0.42026 0.43019 0.43021 0.43642 0.43841 0.43986 0.43987 0.44923 0.44992 0.44993 0.45226 0.45434 0.45585 0.45587 0.46126 0.46128 0.46515 0.46660 0.46672 0.46911 0.46912 0.46982 0.47127 0.47284 0.48212 0.48213 0.48507 0.48983 0.48984 0.49435 0.49539 0.49540 0.49664 0.49807 0.49808 0.50305 0.50389 0.50883 0.50949 0.50991 0.51371 0.51371 0.51497 0.52181 0.52182 0.52192 0.52502 0.52504 0.53134 0.53322 0.53327 0.54522 0.54537 0.55634 0.55635 0.56602 0.56605 0.56736 0.56737 0.56873 0.57200 0.57357 0.57582 0.58295 0.58646 0.58647 0.59266 0.59311 0.59313 0.59416 0.59847 0.60421 0.60692 0.60694 0.60966 0.61017 0.61193 0.61194 0.61863 0.61865 0.61869 0.62095 0.62745 0.62780 0.63469 0.64057 0.64059 0.64200 0.64201 0.64311 0.64535 0.64993 0.64994 0.65039 0.65785 0.66959 0.66960 0.67434 0.67574 0.68507 0.68767 0.68767 0.69300 0.69342 0.69530 0.69530 0.69928 0.69930 0.70197 0.70600 0.70838 0.70841 0.70991 0.71750 0.72065 0.72095 0.72096 0.72115 0.72289 0.72291 0.72752 0.72942 0.73033 0.73171 0.73175 0.73912 0.74353 0.74355 0.74641 0.75031 0.75639 0.75855 0.75857 0.76137 0.76201 0.76861 0.76862 0.77412 0.77709 0.77775 0.78130 0.79490 0.79491 0.80902 0.80997 0.81392 0.81397 0.82375 0.82826 0.82878 0.83067 0.83069 0.83846 0.84245 0.84251 0.85051 0.85275 0.85276 0.85326 0.85815 0.85818 0.86617 0.87531 0.88353 0.88354 0.88584 0.88585 0.89507 0.91738 0.91740 0.92165 0.92999 0.95560 0.95812 0.95816 0.96464 0.96697 0.97407 0.97410 0.98293 0.98549 0.99302 0.99594 0.99598 0.99598 1.01673 1.03606 1.03747 1.03749 1.05099 1.06242 1.06277 1.06737 1.06738 1.07062 1.07066 1.08420 1.08752 1.09721 1.11486 1.11488 1.12152 1.12807 1.13360 1.13365 1.14707 1.17050 1.17686 1.17694 1.17700 1.17854 1.18376 1.18379 1.18985 1.19907 1.19993 1.20347 1.20468 1.20469 1.20525 1.20929 1.20932 1.21691 1.21693 1.22121 1.22232 1.22325 1.22327 1.22344 1.22910 1.22918 1.22919 1.23221 1.23759 1.26291 1.26333 1.26335 1.26439 1.26962 1.27557 1.27560 1.27708 1.29807 1.29812 1.30501 1.31122 1.31425 1.31703 1.32234 1.32236 1.32745 1.32749 1.33621 1.35632 1.37153 1.37183 1.37608 1.37649 1.37651 1.41824 1.41828 1.42881 1.44242 1.45027 1.45030 1.45274 1.45485 1.47547 1.47549 1.49055 1.49617 1.51439 1.51442 1.51702 1.52157 1.52252 1.53064 1.54802 1.54802 1.56486 1.56487 1.56559 1.60449 1.60840 1.60841 1.62900 1.64307 1.64437 1.64577 1.64752 1.64756 1.64974 1.64976 1.65063 1.68096 1.68489 1.69154 1.69155 1.69593 1.69845 1.69845 1.70064 1.70363 1.71050 1.71051 1.71230 1.72600 1.73275 1.73277 1.73291 1.73989 1.73990 1.74307 1.74477 1.74501 1.75571 1.75594 1.75744 1.75746 1.76311 1.76392 1.76393 1.76964 1.76965 1.77281 1.78160 1.78494 1.78771 1.78780 1.79562 1.79618 1.79623 1.79910 1.80751 1.81571 1.81572 1.82251 1.82402 1.82723 1.83025 1.83029 1.83751 1.86824 1.87319 1.87403 1.87404 1.88382 1.89774 1.90024 1.90027 1.91233 1.91781 1.91781 1.92589 1.93814 1.93815 1.93883 1.94477 1.95332 1.95545 1.95742 1.95752 1.95753 1.96206 1.96207 1.96395 1.96546 1.96737 1.96738 1.97786 1.97787 1.97802 1.98363 2.00292 2.00943 2.00945 2.01265 2.01500 2.03997 2.05253 2.06039 2.06041 2.06748 2.06749 2.06752 2.06946 2.08776 2.09131 2.09133 2.09228 2.10357 2.12841 2.12843 2.13003 2.14887 2.15769 2.15772 2.16066 2.16184 2.17322 2.17524 2.17525 2.17533 2.17653 2.17740 2.17786 2.17789 2.18618 2.18621 2.19716 2.20031 2.20580 2.20584 2.20676 2.21407 2.24311 2.24523 2.24524 2.26254 2.26482 2.27141 2.27145 2.27996 2.28001 2.28196 2.28945 2.29187 2.29690 2.29692 2.30390 2.31385 2.31391 2.31725 2.31833 2.32124 2.32184 2.32185 2.33345 2.33577 2.33932 2.33936 2.34293 2.36636 2.37039 2.37293 2.37294 2.37669 2.40351 2.40353 2.40821 2.41242 2.41468 2.41795 2.41796 2.42999 2.43426 2.43429 2.45801 2.48786 2.51620 2.51623 2.52843 2.53375 2.55333 2.55427 2.55429 2.59383 2.59891 2.59965 2.59967 2.61446 2.62577 2.64119 2.64344 2.64350 2.64458 2.64967 2.64972 2.65051 2.66035 2.66104 2.66106 2.66165 2.66335 2.66595 2.67189 2.67190 2.69906 2.70909 2.70950 2.70950 2.72095 2.72095 2.73425 2.74054 2.74055 2.74595 2.75360 2.76055 2.76056 2.76240 2.77185 2.77773 2.78627 2.79243 2.79245 2.79314 2.79317 2.80887 2.81367 2.82939 2.83844 2.84777 2.84778 2.87632 2.88014 2.88132 2.88178 2.88181 2.91553 2.92286 2.92296 2.92588 2.93057 2.94061 2.94071 2.95817 3.00767 3.01239 3.01239 3.01780 3.04104 3.04524 3.04526 3.04667 3.04911 3.08796 3.08798 3.09278 3.10019 3.14357 3.17341 3.17343 3.21204 3.21205 3.24923 3.24928 3.24964 3.24967 3.37831 3.38829 3.41405 3.43193 3.43634 3.43636 3.50698 3.50773 3.50773 3.50898 3.51491 3.53420 3.53424 3.55788 3.55848 3.55849 3.56030 3.56574 3.57945 3.57989 3.57992 3.57992 3.59228 3.59570 3.60282 3.60284 3.71607 3.71613 3.71645 3.71744 3.93318 3.93718 3.93718 3.94037 4.19128 4.22143 4.22715 4.23351 4.23351 4.34143 4.34144</array>
<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="77">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 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="77">C N C C C C N C C C C N C C C C N C C C C C C C H H H H H H H H C C C C C C H H H H C C C C C C H H H H C C C C C C H H H H C C C C C C H H H H Br Br Br Br Fe</array>
<array dataType="xsd:double" dictRef="x:charge" size="77">0.144137 -0.477114 0.144996 -0.124114 -0.125723 0.144189 -0.477102 0.145028 -0.123937 -0.125545 0.144192 -0.477061 0.144657 -0.123944 -0.125587 0.144259 -0.477069 0.144677 -0.124136 -0.125705 -0.089905 -0.089926 -0.089898 -0.089909 0.016315 0.016332 0.016292 0.016349 0.016305 0.016337 0.016313 0.016337 -0.078466 -0.046886 -0.028770 -0.050826 -0.037257 -0.056580 0.049882 0.063171 0.056443 0.066967 -0.078554 -0.046747 -0.028733 -0.050806 -0.037255 -0.056587 0.049912 0.063180 0.056470 0.066986 -0.078302 -0.028661 -0.046932 -0.037473 -0.050740 -0.056645 0.049889 0.056462 0.063180 0.066954 -0.078380 -0.028666 -0.046914 -0.037465 -0.050743 -0.056653 0.049895 0.056467 0.063188 0.066963 -0.073311 -0.073196 -0.073195 -0.073137 0.521827</array>
</list>
<scalar dataType="xsd:double" dictRef="x:chargesum">-2.00000</scalar>
</module>
</property>
<property>
<module cmlx:templateRef="l716.dipole">
<array cmlx:templateRef="dipole" dataType="xsd:double" dictRef="x:d" size="3">-2.25648940e-04 -1.04997095e-03 2.30332457e-03</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">-0.0006 -0.0027 0.0059</array>
<scalar dataType="xsd:double" dictRef="x:dipole">0.0065</scalar>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-390.5353 -390.5218 -371.6015</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">0.0096 -0.0129 0.0105</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-6.3158 -6.3022 12.6181 0.0096 -0.0129 0.0105</array>
<array dataType="xsd:double" dictRef="cc:octapole" size="10">0.2477 0.0438 0.0198 -0.1297 -0.0148 105.1811 -0.0077 -0.0573 -105.0482 19.0816</array>
<array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-25312.2007 -25310.2239 -4558.6572 385.5076 -0.9429 -385.2705 1.1076 0.5380 -0.1177 -10056.6304 -5485.6548 -5485.0584 -0.3081 0.4476 -0.0169</array>
</list>
</property>
<property dictRef="cc:virtualorbs">
<array dataType="xsd:string" delimiter="|" size="709">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
</property>
<property dictRef="cc:virtualorbs">
<array dataType="xsd:string" delimiter="|" size="709">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
</property>
<property dictRef="cc:occupiedorbs">
<array dataType="xsd:string" delimiter="|" size="242">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
</property>
<property dictRef="cc:occupiedorbs">
<array dataType="xsd:string" delimiter="|" size="242">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
</property>
</propertyList>
<module dictRef="cc:userDefinedModule" id="otherComponents">
<module cmlx:templateRef="l9999.archive" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
<scalar dataType="xsd:string" dictRef="cc:electronicstate">1-A</scalar>
<scalar dataType="xsd:double" dictRef="cc:hfenergy" units="nonsi:hartree">-13467.4544897</scalar>
<scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">2.094E-9</scalar>
<scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">9.334E-5</scalar>
<scalar dataType="xsd:string" dictRef="x:Quadrupole">-4.6954038,-4.68582,9.3812239,0.007279,0.0079718,-0.0055962</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C44H24Br4Fe1N4)]</scalar>
<array dataType="xsd:double" dictRef="cc:dipole" size="3" units="nonsi:debye">0.0002439 0.0010462 0.0023032</array>
</module>
</module>
<molecule formalCharge="-2" id="mol9999" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="1.38931845" y3="-2.70462604" z3="-0.03886189">
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.0" size="3">0.000054579 -0.000020902 -0.000183928</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.1" size="3">0.000155577 0.000032454 0.000038325</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.2" size="3">-0.000079906 0.000115401 0.000057884</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.3" size="3">-0.000004117 -0.000264248 0.000061266</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.4" size="3">-0.000150141 0.000251911 -0.000094331</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.5" size="3">-0.000047242 0.000006768 0.000214363</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.6" size="3">0.000053547 -0.000165399 -0.000062421</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.7" size="3">0.000123629 0.000106710 -0.000027790</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.8" size="3">-0.000308580 0.000240776 0.000037354</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.9" size="3">0.000280741 -0.000187077 -0.000072768</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.10" size="3">-0.000046745 0.000147492 0.000195693</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.11" size="3">-0.000095684 0.000076684 -0.000063540</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.12" size="3">-0.000065153 -0.000003658 -0.000000068</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.13" size="3">-0.000203866 -0.000299954 -0.000047042</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.14" size="3">0.000198744 0.000265318 0.000081694</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.15" size="3">-0.000082718 0.000011049 -0.000203372</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.16" size="3">-0.000100844 -0.000100671 0.000070155</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.17" size="3">0.000033502 -0.000031624 0.000002383</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.18" size="3">0.000253564 0.000001771 -0.000067211</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.19" size="3">-0.000262358 -0.000124160 0.000088159</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.20" size="3">0.000032973 -0.000050236 -0.000055260</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.21" size="3">0.000032200 -0.000019198 -0.000070889</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.22" size="3">0.000014536 -0.000029977 0.000065724</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.23" size="3">0.000066822 -0.000068767 -0.000055722</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.24" size="3">0.000045579 0.000012742 0.000012836</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.25" size="3">0.000003882 -0.000044481 -0.000092140</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.26" size="3">0.000085129 -0.000006383 0.000015349</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.27" size="3">-0.000020348 0.000039338 -0.000090141</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.28" size="3">0.000010251 0.000086617 -0.000016808</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.29" size="3">-0.000039109 -0.000013966 0.000088579</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.30" size="3">-0.000010077 0.000046459 -0.000016462</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.31" size="3">0.000042921 0.000002521 0.000088035</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.32" size="3">0.000099919 0.000002607 0.000076317</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.33" size="3">-0.000023783 -0.000065161 -0.000028534</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.34" size="3">0.000034388 0.000112019 -0.000003470</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.35" size="3">0.000019764 -0.000040276 -0.000000232</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.36" size="3">-0.000074634 -0.000026402 -0.000005655</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.37" size="3">0.000036240 -0.000006617 -0.000027322</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.38" size="3">-0.000016849 -0.000012767 0.000014850</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.39" size="3">-0.000011314 0.000036378 0.000007066</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.40" size="3">-0.000026102 -0.000043478 -0.000053635</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.41" size="3">-0.000007621 0.000021174 0.000044200</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.42" size="3">-0.000006312 -0.000124314 0.000268652</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.43" size="3">-0.000085647 0.000042083 -0.000171897</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.44" size="3">0.000120396 0.000018137 -0.000253699</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.45" size="3">0.000005752 -0.000053685 0.000044128</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.46" size="3">-0.000078439 0.000029915 0.000061563</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.47" size="3">-0.000036569 0.000029361 0.000025752</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.48" size="3">0.000026063 0.000019476 0.000021972</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.49" size="3">0.000033360 -0.000009197 -0.000013454</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.50" size="3">-0.000034394 -0.000000519 0.000057696</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.51" size="3">0.000020232 0.000016022 -0.000040925</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.52" size="3">-0.000115096 -0.000062371 0.000030410</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.53" size="3">0.000003450 -0.000042951 0.000046931</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.54" size="3">0.000059814 0.000073130 -0.000029616</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.55" size="3">0.000042289 -0.000056697 -0.000208916</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.56" size="3">-0.000056404 0.000017163 -0.000000937</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.57" size="3">0.000023354 0.000010675 0.000231051</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.58" size="3">0.000014824 0.000029301 0.000028687</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.59" size="3">-0.000001237 0.000088085 -0.000016772</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.60" size="3">-0.000011200 -0.000023413 0.000001701</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.61" size="3">0.000018757 -0.000010371 -0.000064140</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.62" size="3">-0.000068058 0.000087022 -0.000004225</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.63" size="3">-0.000076429 0.000035500 -0.000058506</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.64" size="3">0.000068297 0.000069203 0.000022124</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.65" size="3">-0.000056955 -0.000120409 0.000217938</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.66" size="3">0.000025816 -0.000140979 -0.000022987</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.67" size="3">0.000044797 0.000168770 -0.000229439</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.68" size="3">0.000024312 -0.000010751 -0.000026843</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.69" size="3">0.000093015 -0.000037901 0.000015593</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.70" size="3">-0.000015615 -0.000004634 -0.000000330</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.71" size="3">-0.000012251 -0.000005889 0.000060937</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.72" size="3">-0.000012113 -0.000035307 -0.000037478</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.73" size="3">-0.000028310 0.000038177 0.000110672</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.74" size="3">0.000039268 0.000036815 -0.000109319</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.75" size="3">0.000035103 -0.000051012 0.000115496</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.76" size="3">-0.000005165 -0.000009222 0.000006690</array>
</property>
</atom>
<atom elementType="N" id="a2" x3="1.47656485" y3="-1.31316331" z3="0.0011014"/>
<atom elementType="C" id="a3" x3="2.84836514" y3="-1.06417108" z3="0.04540309"/>
<atom elementType="C" id="a4" x3="-2.28230669" y3="-3.59622328" z3="-0.0381124"/>
<atom elementType="C" id="a5" x3="-3.3052284" y3="-2.68685959" z3="0.02136529"/>
<atom elementType="C" id="a6" x3="-2.70436916" y3="-1.38945769" z3="0.03833293"/>
<atom elementType="N" id="a7" x3="-1.31294065" y3="-1.47664103" z3="-0.00158748"/>
<atom elementType="C" id="a8" x3="-1.06390309" y3="-2.84846692" z3="-0.04545024"/>
<atom elementType="C" id="a9" x3="2.28277227" y3="3.595754" z3="-0.03850038"/>
<atom elementType="C" id="a10" x3="3.30545006" y3="2.68627933" z3="0.02144157"/>
<atom elementType="C" id="a11" x3="2.70455428" y3="1.38892055" z3="0.03874943"/>
<atom elementType="N" id="a12" x3="1.31313972" y3="1.47631501" z3="-0.00158169"/>
<atom elementType="C" id="a13" x3="1.06414139" y3="2.84802692" z3="-0.04597055"/>
<atom elementType="C" id="a14" x3="-3.59594345" y3="2.28240746" z3="0.03761614"/>
<atom elementType="C" id="a15" x3="-2.68647739" y3="3.3051393" z3="-0.0221123"/>
<atom elementType="C" id="a16" x3="-1.38905975" y3="2.70431824" z3="-0.03929458"/>
<atom elementType="N" id="a17" x3="-1.47638316" y3="1.31290375" z3="0.00078309"/>
<atom elementType="C" id="a18" x3="-2.84813341" y3="1.06380778" z3="0.04496218"/>
<atom elementType="C" id="a19" x3="3.59609272" y3="-2.28261166" z3="0.0385658"/>
<atom elementType="C" id="a20" x3="2.68673174" y3="-3.30553419" z3="-0.02123063"/>
<atom elementType="C" id="a21" x3="0.20127947" y3="-3.43346732" z3="-0.06632646"/>
<atom elementType="C" id="a22" x3="-0.20106151" y3="3.43322682" z3="-0.06698803"/>
<atom elementType="C" id="a23" x3="-3.4332631" y3="-0.20138952" z3="0.06580875"/>
<atom elementType="C" id="a24" x3="3.433371" y3="0.20103205" z3="0.06664809"/>
<atom elementType="H" id="a25" x3="-2.35131874" y3="-4.68403157" z3="-0.06563594"/>
<atom elementType="H" id="a26" x3="-4.37784723" y3="-2.88102698" z3="0.04405237"/>
<atom elementType="H" id="a27" x3="2.35044299" y3="4.68361548" z3="-0.06632945"/>
<atom elementType="H" id="a28" x3="4.37811699" y3="2.88033334" z3="0.04427863"/>
<atom elementType="H" id="a29" x3="-4.68381306" y3="2.35001925" z3="0.06539548"/>
<atom elementType="H" id="a30" x3="-2.88056281" y3="4.37779976" z3="-0.04478025"/>
<atom elementType="H" id="a31" x3="4.6838832" y3="-2.35164175" z3="0.06669154"/>
<atom elementType="H" id="a32" x3="2.88090769" y3="-4.37815525" z3="-0.043591"/>
<atom elementType="C" id="a33" x3="-0.28837635" y3="4.91644694" z3="-0.13421156"/>
<atom elementType="C" id="a34" x3="-0.35485843" y3="5.55646699" z3="-1.38254872"/>
<atom elementType="C" id="a35" x3="-0.30737228" y3="5.74549736" z3="0.99978728"/>
<atom elementType="C" id="a36" x3="-0.43580552" y3="6.94220411" z3="-1.5006021"/>
<atom elementType="C" id="a37" x3="-0.38700456" y3="7.13665927" z3="0.90270002"/>
<atom elementType="C" id="a38" x3="-0.45152289" y3="7.73499812" z3="-0.35381155"/>
<atom elementType="H" id="a39" x3="-0.34131965" y3="4.93274249" z3="-2.28117826"/>
<atom elementType="H" id="a40" x3="-0.48561448" y3="7.40275621" z3="-2.49008095"/>
<atom elementType="H" id="a41" x3="-0.39850867" y3="7.7486318" z3="1.80682991"/>
<atom elementType="H" id="a42" x3="-0.51389325" y3="8.82311451" z3="-0.43002605"/>
<atom elementType="C" id="a43" x3="4.91654288" y3="0.28852169" z3="0.13389003"/>
<atom elementType="C" id="a44" x3="5.55552335" y3="0.35716217" z3="1.38287175"/>
<atom elementType="C" id="a45" x3="5.74640227" y3="0.3059097" z3="-0.99919708"/>
<atom elementType="C" id="a46" x3="6.9411114" y3="0.43865838" z3="1.50166001"/>
<atom elementType="C" id="a47" x3="7.13753267" y3="0.38622369" z3="-0.90148186"/>
<atom elementType="C" id="a48" x3="7.7348706" y3="0.4523296" z3="0.35541536"/>
<atom elementType="H" id="a49" x3="4.93066784" y3="0.34512936" z3="2.28070747"/>
<atom elementType="H" id="a50" x3="7.40102259" y3="0.49056757" z3="2.49135129"/>
<atom elementType="H" id="a51" x3="7.74997012" y3="0.39716298" z3="-1.80529156"/>
<atom elementType="H" id="a52" x3="8.82291549" y3="0.51495545" z3="0.43243084"/>
<atom elementType="C" id="a53" x3="0.28864502" y3="-4.91672481" z3="-0.13232599"/>
<atom elementType="C" id="a54" x3="0.30554944" y3="-5.74493071" z3="1.00237679"/>
<atom elementType="C" id="a55" x3="0.3575568" y3="-5.55778428" z3="-1.38002903"/>
<atom elementType="C" id="a56" x3="0.38565086" y3="-7.13606283" z3="0.90665017"/>
<atom elementType="C" id="a57" x3="0.43896817" y3="-6.94362474" z3="-1.49689714"/>
<atom elementType="C" id="a58" x3="0.45214793" y3="-7.73542044" z3="-0.34948033"/>
<atom elementType="H" id="a59" x3="0.34591814" y3="-4.93492256" z3="-2.27928938"/>
<atom elementType="H" id="a60" x3="0.39612785" y3="-7.74781957" z3="1.81091636"/>
<atom elementType="H" id="a61" x3="0.4911682" y3="-7.40501951" z3="-2.485863"/>
<atom elementType="H" id="a62" x3="0.51460889" y3="-8.82368452" z3="-0.42358163"/>
<atom elementType="C" id="a63" x3="-4.91649542" y3="-0.28879215" z3="0.13227479"/>
<atom elementType="C" id="a64" x3="-5.74502391" y3="-0.30667303" z3="-1.00214191"/>
<atom elementType="C" id="a65" x3="-5.55724113" y3="-0.35647044" z3="1.3802447"/>
<atom elementType="C" id="a66" x3="-7.13616279" y3="-0.38659128" z3="-0.90594058"/>
<atom elementType="C" id="a67" x3="-6.9431112" y3="-0.43685005" z3="1.4976256"/>
<atom elementType="C" id="a68" x3="-7.73518898" y3="-0.45259027" z3="0.35039922"/>
<atom elementType="H" id="a69" x3="-4.9340987" y3="-0.34374088" z3="2.27929888"/>
<atom elementType="H" id="a70" x3="-7.74820541" y3="-0.39728961" z3="-1.81001511"/>
<atom elementType="H" id="a71" x3="-7.40430336" y3="-0.48741492" z3="2.48677291"/>
<atom elementType="H" id="a72" x3="-8.82341174" y3="-0.51524724" z3="0.42488271"/>
<atom elementType="Br" id="a73" x3="4.98267621" y3="0.21927786" z3="-2.74517969"/>
<atom elementType="Br" id="a74" x3="0.21809256" y3="-4.9787499" z3="2.74694783"/>
<atom elementType="Br" id="a75" x3="-4.97936881" y3="-0.22039316" z3="-2.7470025"/>
<atom elementType="Br" id="a76" x3="-0.22266415" y3="4.98086989" z3="2.74509766"/>
<atom elementType="Fe" id="a77" x3="0.000109" y3="-0.00011815" z3="-0.0003871"/>
</atomArray>
<bondArray/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3893,-2.7046,-.0389;1.4766,-1.3132,.0011;2.8484,-1.0642,.0454;-2.2823,-3.5962,-.0381;-3.3052,-2.6869,.0214;-2.7044,-1.3895,.0383;-1.3129,-1.4766,-.0016;-1.0639,-2.8485,-.0455;2.2828,3.5958,-.0385;3.3055,2.6863,.0214;2.7046,1.3889,.0387;1.3131,1.4763,-.0016;1.0641,2.848,-.046;-3.5959,2.2824,.0376;-2.6865,3.3051,-.0221;-1.3891,2.7043,-.0393;-1.4764,1.3129,.0008;-2.8481,1.0638,.045;3.5961,-2.2826,.0386;2.6867,-3.3055,-.0212;.2013,-3.4335,-.0663;-.2011,3.4332,-.067;-3.4333,-.2014,.0658;3.4334,.201,.0666;-2.3513,-4.684,-.0656;-4.3778,-2.881,.0441;2.3504,4.6836,-.0663;4.3781,2.8803,.0443;-4.6838,2.35,.0654;-2.8806,4.3778,-.0448;4.6839,-2.3516,.0667;2.8809,-4.3782,-.0436;-.2884,4.9164,-.1342;-.3549,5.5565,-1.3825;-.3074,5.7455,.9998;-.4358,6.9422,-1.5006;-.387,7.1367,.9027;-.4515,7.735,-.3538;-.3413,4.9327,-2.2812;-.4856,7.4028,-2.4901;-.3985,7.7486,1.8068;-.5139,8.8231,-.43;4.9165,.2885,.1339;5.5555,.3572,1.3829;5.7464,.3059,-.9992;6.9411,.4387,1.5017;7.1375,.3862,-.9015;7.7349,.4523,.3554;4.9307,.3451,2.2807;7.401,.4906,2.4914;7.75,.3972,-1.8053;8.8229,.515,.4324;.2886,-4.9167,-.1323;.3055,-5.7449,1.0024;.3576,-5.5578,-1.38;.3857,-7.1361,.9067;.439,-6.9436,-1.4969;.4521,-7.7354,-.3495;.3459,-4.9349,-2.2793;.3961,-7.7478,1.8109;.4912,-7.405,-2.4859;.5146,-8.8237,-.4236;-4.9165,-.2888,.1323;-5.745,-.3067,-1.0021;-5.5572,-.3565,1.3802;-7.1362,-.3866,-.9059;-6.9431,-.4369,1.4976;-7.7352,-.4526,.3504;-4.9341,-.3437,2.2793;-7.7482,-.3973,-1.81;-7.4043,-.4874,2.4868;-8.8234,-.5152,.4249;4.9827,.2193,-2.7452;.2181,-4.9787,2.7469;-4.9794,-.2204,-2.747;-.2227,4.9809,2.7451;.0001,-.0001,-.0004;</scalar>
</formula>
</molecule>
</module>
</module>
<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-IRENE4124</scalar>
</parameter>
<parameter dictRef="cc:jobname">
<scalar dataType="xsd:string">VONWOLFN</scalar>
</parameter>
<parameter dictRef="cc:title">
<scalar dataType="xsd:string">Porphyrin at formal iron(0) level</scalar>
</parameter>
<parameter dictRef="cc:version">
<scalar dataType="xsd:string">ES64L-G16RevC.02</scalar>
</parameter>
</parameterList>
</module>
<module dictRef="cc:initialization" id="initialization">
<parameterList>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">225</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C44H24Br4FeN4)]</scalar>
</parameter>
<parameter dictRef="cc:method">
<scalar dataType="xsd:string">RM06L</scalar>
</parameter>
<parameter dictRef="cc:basis">
<scalar dataType="xsd:string">def2SVP/W06</scalar>
</parameter>
<parameter dictRef="g:operation">
<scalar dataType="xsd:string">Freq</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">#P</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">Geom=AllCheck</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">Guess=TCheck</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">SCRF=Check</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">GenChk</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">RM06L/def2SVP/W06</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">Freq</scalar>
</parameter>
</parameterList>
<molecule cmlx:templateRef="atom" formalCharge="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-1.436753" y3="2.679714" z3="-0.039472">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a2" x3="-1.499481" y3="1.286937" z3="0.000717">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-2.866688" y3="1.013828" z3="0.044918">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="2.218598" y3="3.635843" z3="-0.038489">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="3.257372" y3="2.744648" z3="0.021249">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="2.679456" y3="1.436867" z3="0.038373">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a7" x3="1.286712" y3="1.499522" z3="-0.001708">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="1.013555" y3="2.866741" z3="-0.045828">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a9" x3="-2.219096" y3="-3.635426" z3="-0.038139">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a10" x3="-3.257641" y3="-2.744095" z3="0.021542">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a11" x3="-2.679691" y3="-1.436351" z3="0.038694">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a12" x3="-1.286949" y3="-1.49923" z3="-0.001477">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a13" x3="-1.013823" y3="-2.866351" z3="-0.045608">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="3.635567" y3="-2.218725" z3="0.03837">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="2.744262" y3="-3.257327" z3="-0.021281">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.436465" y3="-2.679454" z3="-0.0387">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a17" x3="1.499263" y3="-1.286711" z3="0.001152">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="2.866408" y3="-1.013484" z3="0.045432">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a19" x3="-3.63576" y3="2.218909" z3="0.037796">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a20" x3="-2.744551" y3="3.25768" z3="-0.022078">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a21" x3="-0.261733" y3="3.429363" z3="-0.066935">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a22" x3="0.261493" y3="-3.429179" z3="-0.066395">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a23" x3="3.42916" y3="0.261826" z3="0.066126">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a24" x3="-3.429321" y3="-0.261479" z3="0.066315">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="2.268442" y3="4.724694" z3="-0.066189">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a26" x3="4.326402" y3="2.957682" z3="0.044015">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-2.267592" y3="-4.724315" z3="-0.065791">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="-4.326726" y3="-2.957009" z3="0.0443">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="4.724456" y3="-2.26716" z3="0.066274">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="2.957213" y3="-4.326406" z3="-0.043747">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.724601" y3="2.268773" z3="0.065797">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-2.957587" y3="4.32671" z3="-0.04464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a33" x3="0.374926" y3="-4.910642" z3="-0.133358">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="0.452805" y3="-5.549601" z3="-1.38158">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="0.4084" y3="-5.73904" z3="1.000783">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="0.55816" y3="-6.933717" z3="-1.499391">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a37" x3="0.512534" y3="-7.1286" z3="0.903939">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="0.587716" y3="-7.725919" z3="-0.352465">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a39" x3="0.428379" y3="-4.926362" z3="-2.280317">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="0.61618" y3="-7.393486" z3="-2.488787">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="0.534718" y3="-7.740124" z3="1.808173">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="0.66925" y3="-8.812781" z3="-0.428489">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-4.910729" y3="-0.375068" z3="0.133417">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a44" x3="-5.548535" y3="-0.454744" z3="1.382344">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a45" x3="-5.740031" y3="-0.407259" z3="-0.999754">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a46" x3="-6.932486" y3="-0.560612" z3="1.501001">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a47" x3="-7.129542" y3="-0.512047" z3="-0.902171">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a48" x3="-7.725758" y3="-0.588454" z3="0.354675">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a49" x3="-4.924085" y3="-0.431557" z3="2.280243">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a50" x3="-7.391518" y3="-0.620449" z3="2.490653">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a51" x3="-7.741594" y3="-0.533923" z3="-1.806042">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a52" x3="-8.812539" y3="-0.670222" z3="0.431588">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a53" x3="-0.375203" y3="4.910841" z3="-0.133195">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a54" x3="-0.406815" y3="5.73881" z3="1.001366">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a55" x3="-0.455262" y3="5.550378" z3="-1.381013">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a56" x3="-0.511396" y3="7.128299" z3="0.905396">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a57" x3="-0.561057" y3="6.93455" z3="-1.498124">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a58" x3="-0.588305" y3="7.726183" z3="-0.350843">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a59" x3="-0.432557" y3="4.927668" z3="-2.280167">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a60" x3="-0.532744" y3="7.739928" z3="1.809558">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a61" x3="-0.62127" y3="7.394789" z3="-2.487173">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a62" x3="-0.669916" y3="8.813166" z3="-0.425134">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a63" x3="4.910616" y3="0.375351" z3="0.132732">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a64" x3="5.738823" y3="0.407633" z3="-1.001601">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a65" x3="5.549936" y3="0.454514" z3="1.380758">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a66" x3="7.128328" y3="0.512058" z3="-0.905268">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a67" x3="6.934162" y3="0.559311" z3="1.49827">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a68" x3="7.725963" y3="0.588808" z3="0.351124">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a69" x3="4.927018" y3="0.430961" z3="2.279749">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a70" x3="7.740184" y3="0.533384" z3="-1.80928">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a71" x3="7.394286" y3="0.618156" z3="2.487457">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a72" x3="8.812906" y3="0.670635" z3="0.42571">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a73" x3="-4.977762" y3="-0.307481" z3="-2.745671">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a74" x3="-0.306064" y3="4.97458" z3="2.746076">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a75" x3="4.974994" y3="0.307589" z3="-2.746527">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Br" id="a76" x3="0.310049" y3="-4.975732" z3="2.745955">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="Fe" id="a77" x3="-0.000127" y3="0.000101" z3="-0.000395">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C44H24Br4FeN4"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.4368,2.6797,-.0395;-1.4995,1.2869,.0007;-2.8667,1.0138,.0449;2.2186,3.6358,-.0385;3.2574,2.7446,.0212;2.6795,1.4369,.0384;1.2867,1.4995,-.0017;1.0136,2.8667,-.0458;-2.2191,-3.6354,-.0381;-3.2576,-2.7441,.0215;-2.6797,-1.4364,.0387;-1.2869,-1.4992,-.0015;-1.0138,-2.8664,-.0456;3.6356,-2.2187,.0384;2.7443,-3.2573,-.0213;1.4365,-2.6795,-.0387;1.4993,-1.2867,.0012;2.8664,-1.0135,.0454;-3.6358,2.2189,.0378;-2.7446,3.2577,-.0221;-.2617,3.4294,-.0669;.2615,-3.4292,-.0664;3.4292,.2618,.0661;-3.4293,-.2615,.0663;2.2684,4.7247,-.0662;4.3264,2.9577,.044;-2.2676,-4.7243,-.0658;-4.3267,-2.957,.0443;4.7245,-2.2672,.0663;2.9572,-4.3264,-.0437;-4.7246,2.2688,.0658;-2.9576,4.3267,-.0446;.3749,-4.9106,-.1334;.4528,-5.5496,-1.3816;.4084,-5.739,1.0008;.5582,-6.9337,-1.4994;.5125,-7.1286,.9039;.5877,-7.7259,-.3525;.4284,-4.9264,-2.2803;.6162,-7.3935,-2.4888;.5347,-7.7401,1.8082;.6693,-8.8128,-.4285;-4.9107,-.3751,.1334;-5.5485,-.4547,1.3823;-5.74,-.4073,-.9998;-6.9325,-.5606,1.501;-7.1295,-.512,-.9022;-7.7258,-.5885,.3547;-4.9241,-.4316,2.2802;-7.3915,-.6204,2.4907;-7.7416,-.5339,-1.806;-8.8125,-.6702,.4316;-.3752,4.9108,-.1332;-.4068,5.7388,1.0014;-.4553,5.5504,-1.381;-.5114,7.1283,.9054;-.5611,6.9345,-1.4981;-.5883,7.7262,-.3508;-.4326,4.9277,-2.2802;-.5327,7.7399,1.8096;-.6213,7.3948,-2.4872;-.6699,8.8132,-.4251;4.9106,.3754,.1327;5.7388,.4076,-1.0016;5.5499,.4545,1.3808;7.1283,.5121,-.9053;6.9342,.5593,1.4983;7.726,.5888,.3511;4.927,.431,2.2797;7.7402,.5334,-1.8093;7.3943,.6182,2.4875;8.8129,.6706,.4257;-4.9778,-.3075,-2.7457;-.3061,4.9746,2.7461;4.975,.3076,-2.7465;.31,-4.9757,2.746;-.0001,.0001,-.0004;</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">Porphyrin at formal iron(0) level</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="77">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 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77</array>
<array cmlx:templateRef="iatwgt" dataType="xsd:integer" dictRef="x:x" size="77">12 14 12 12 12 12 14 12 12 12 12 14 12 12 12 12 14 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 12 12 12 12 12 12 1 1 1 1 12 12 12 12 12 12 1 1 1 1 12 12 12 12 12 12 1 1 1 1 12 12 12 12 12 12 1 1 1 1 79 79 79 79 56</array>
<array cmlx:templateRef="atmwgt" dataType="xsd:double" dictRef="x:x" size="77">12.0000000 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 78.9183361 78.9183361 78.9183361 78.9183361 55.9349393</array>
<array cmlx:templateRef="nucspn" dataType="xsd:integer" dictRef="x:x" size="77">0 2 0 0 0 0 2 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 1 3 3 3 3 0</array>
<array cmlx:templateRef="atzeff" dataType="xsd:double" dictRef="x:x" size="77">3.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 24.5000000 24.5000000 24.5000000 24.5000000 25.2200000</array>
</module>
<list cmlx:templateRef="rest">
<scalar dataType="xsd:string" dictRef="x:l101">(Enter /ccc/products/gaussian-16-C.02/system/skylake/g16/l101.exe)</scalar>
<scalar dataType="xsd:string" dictRef="x:l101">Structure from the checkpoint file:  "1Fe.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="88">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 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="88">1 1 1 2 2 3 3 4 4 4 5 5 6 6 7 7 8 9 9 9 10 10 11 11 12 12 13 14 14 14 15 15 16 16 17 17 18 19 19 20 21 22 23 24 33 33 34 34 35 35 36 36 37 37 38 43 43 44 44 45 45 46 46 47 47 48 53 53 54 54 55 55 56 56 57 57 58 63 63 64 64 65 65 66 66 67 67 68</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="88">2 20 21 3 77 19 24 5 8 25 6 26 7 23 8 77 21 10 13 27 11 28 12 24 13 77 22 15 18 29 16 30 17 22 18 77 23 20 31 32 53 33 63 43 34 35 36 39 37 76 38 40 38 41 42 44 45 46 49 47 73 48 50 48 51 52 54 55 56 74 57 59 58 60 58 61 62 64 65 66 75 67 69 68 70 68 71 72</array>
<array dataType="xsd:double" dictRef="cc:distance" size="88">1.3948 1.4299 1.3941 1.3949 1.9759 1.4296 1.3941 1.37 1.4296 1.0903 1.4299 1.0903 1.3947 1.3941 1.3949 1.9759 1.394 1.3699 1.4298 1.0903 1.4299 1.0903 1.3947 1.3939 1.3948 1.9758 1.3941 1.3699 1.4298 1.0903 1.4299 1.0903 1.3947 1.3941 1.3949 1.9759 1.3941 1.37 1.0903 1.0903 1.4873 1.4873 1.4873 1.4873 1.4044 1.4049 1.3931 1.094 1.3968 1.9073 1.3942 1.0925 1.3932 1.0918 1.0926 1.4046 1.4046 1.3931 1.0939 1.3969 1.9077 1.3943 1.0926 1.3932 1.0918 1.0926 1.4049 1.4044 1.3967 1.9074 1.3931 1.094 1.3934 1.0918 1.3942 1.0925 1.0926 1.4049 1.4045 1.3967 1.9074 1.3932 1.094 1.3934 1.0918 1.3942 1.0926 1.0926</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="88">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="angle">
<array dataType="xsd:string" dictRef="g:symbol" size="148">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 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="148">2 2 20 1 1 3 2 2 19 5 5 8 4 4 6 5 5 7 6 6 8 4 4 7 10 10 13 9 9 11 10 10 12 11 11 13 9 9 12 15 15 18 14 14 16 15 15 17 16 16 18 14 14 17 3 3 20 1 1 19 1 1 8 13 13 16 6 6 18 3 3 11 22 22 34 33 33 36 33 33 37 34 34 38 35 35 38 36 36 37 24 24 44 43 43 46 43 43 47 44 44 48 45 45 48 46 46 47 21 21 54 53 53 56 53 53 57 54 54 58 55 55 58 56 56 57 23 23 64 63 63 66 63 63 67 64 64 68 65 65 68 66 66 67 2 2 7 12</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="148">1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 33 33 33 34 34 34 35 35 35 36 36 36 37 37 37 38 38 38 43 43 43 44 44 44 45 45 45 46 46 46 47 47 47 48 48 48 53 53 53 54 54 54 55 55 55 56 56 56 57 57 57 58 58 58 63 63 63 64 64 64 65 65 65 66 66 66 67 67 67 68 68 68 77 77 77 77</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="148">20 21 21 3 77 77 19 24 24 8 25 25 6 26 26 7 23 23 8 77 77 7 21 21 13 27 27 11 28 28 12 24 24 13 77 77 12 22 22 18 29 29 16 30 30 17 22 22 18 77 77 17 23 23 20 31 31 19 32 32 8 53 53 16 33 33 18 63 63 11 43 43 34 35 35 36 39 39 37 76 76 38 40 40 38 41 41 37 42 42 44 45 45 46 49 49 47 73 73 48 50 50 48 51 51 47 52 52 54 55 55 56 74 74 57 59 59 58 60 60 58 61 61 57 62 62 64 65 65 66 75 75 67 69 69 68 70 70 68 71 71 67 72 72 7 12 17 17</array>
<array dataType="xsd:double" dictRef="cc:angle" size="148">111.2312 125.1314 123.6264 103.9162 128.0396 128.0441 111.228 125.1115 123.6488 106.8219 128.0298 125.1458 106.8 128.1164 125.0819 111.2331 123.6264 125.1301 103.9149 128.0412 128.0437 111.2277 123.6472 125.1129 106.8175 128.1111 125.0689 106.8087 128.1126 125.0769 111.2256 123.6234 125.1404 103.9238 128.0335 128.0426 111.2221 123.646 125.1193 106.8156 128.1124 125.0695 106.8104 128.1124 125.0753 111.2252 123.6262 125.1381 103.9241 128.0353 128.0405 111.2223 123.645 125.1203 106.8228 125.145 128.0298 106.7994 125.0835 128.1153 123.6245 118.1782 118.1955 123.6137 118.2006 118.1836 123.6188 118.1779 118.2013 123.6213 118.2006 118.1762 119.8295 123.5605 116.6099 122.0988 118.0173 119.8839 122.1681 120.0959 117.736 119.7731 119.9143 120.3125 119.5419 120.0844 120.3736 119.8081 120.6354 119.5565 119.7843 123.604 116.6117 122.0836 117.9962 119.9203 122.1864 120.0818 117.7318 119.7821 119.9148 120.3031 119.5269 120.0859 120.3872 119.8092 120.6332 119.5575 123.5577 119.8358 116.6064 122.1736 120.0907 117.7358 122.1036 118.0259 119.8705 119.5345 120.123 120.3425 119.7669 119.9223 120.3108 119.815 119.4932 120.6918 123.5596 119.8355 116.6048 122.1742 120.0902 117.7356 122.1053 118.0225 119.8722 119.5369 120.1225 120.3406 119.7673 119.9252 120.3075 119.8114 119.4968 120.6918 89.9988 89.9999 90.0 90.0013</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="148">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|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="4">A149 A150 A151 A152</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="4">2 7 2 7</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="4">77 77 77 77</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="4">17 12 17 12</array>
<array dataType="xsd:integer" dictRef="g:atom4" size="4">12 17 12 17</array>
<array dataType="xsd:integer" dictRef="g:atom5" size="4">-1 -1 -2 -2</array>
<scalar dataType="xsd:double" dictRef="g:lll">180.0013</scalar>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="4">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">180.0014</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">180.0771</scalar>
</list>
<list cmlx:templateRef="lll">
<scalar dataType="xsd:double" dictRef="g:lll">180.0694</scalar>
</list>
<list cmlx:templateRef="dihed">
<array dataType="xsd:string" dictRef="g:symbol" size="240">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 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="240">20 20 21 21 2 2 21 21 2 2 20 20 1 1 77 77 1 1 3 3 2 2 24 24 2 2 19 19 8 8 25 25 5 5 25 25 4 4 26 26 5 5 23 23 5 5 7 7 6 6 77 77 6 6 8 8 4 4 7 7 13 13 27 27 10 10 27 27 9 9 28 28 10 10 24 24 10 10 12 12 11 11 77 77 11 11 13 13 9 9 12 12 18 18 29 29 15 15 29 29 14 14 30 30 15 15 22 22 15 15 17 17 16 16 77 77 16 16 18 18 14 14 17 17 3 3 31 31 1 1 8 8 13 13 16 16 6 6 18 18 3 3 11 11 22 22 35 35 22 22 34 34 33 33 39 39 33 33 76 76 34 34 40 40 35 35 41 41 24 24 45 45 24 24 44 44 43 43 49 49 43 43 73 73 44 44 50 50 45 45 51 51 21 21 55 55 21 21 54 54 53 53 74 74 53 53 59 59 54 54 60 60 55 55 61 61 23 23 65 65 23 23 64 64 63 63 75 75 63 63 69 69 64 64 70 70 65 65 71 71</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="240">1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 33 33 33 33 33 33 33 33 34 34 34 34 35 35 35 35 36 36 36 36 37 37 37 37 43 43 43 43 43 43 43 43 44 44 44 44 45 45 45 45 46 46 46 46 47 47 47 47 53 53 53 53 53 53 53 53 54 54 54 54 55 55 55 55 56 56 56 56 57 57 57 57 63 63 63 63 63 63 63 63 64 64 64 64 65 65 65 65 66 66 66 66 67 67 67 67</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="240">2 2 2 2 20 20 20 20 21 21 21 21 3 3 3 3 77 77 77 77 19 19 19 19 24 24 24 24 5 5 5 5 8 8 8 8 6 6 6 6 7 7 7 7 23 23 23 23 8 8 8 8 77 77 77 77 21 21 21 21 10 10 10 10 13 13 13 13 11 11 11 11 12 12 12 12 24 24 24 24 13 13 13 13 77 77 77 77 22 22 22 22 15 15 15 15 18 18 18 18 16 16 16 16 17 17 17 17 22 22 22 22 18 18 18 18 77 77 77 77 23 23 23 23 20 20 20 20 53 53 53 53 33 33 33 33 63 63 63 63 43 43 43 43 34 34 34 34 35 35 35 35 36 36 36 36 37 37 37 37 38 38 38 38 38 38 38 38 44 44 44 44 45 45 45 45 46 46 46 46 47 47 47 47 48 48 48 48 48 48 48 48 54 54 54 54 55 55 55 55 56 56 56 56 57 57 57 57 58 58 58 58 58 58 58 58 64 64 64 64 65 65 65 65 66 66 66 66 67 67 67 67 68 68 68 68 68 68 68 68</array>
<array dataType="xsd:integer" dictRef="g:atom4" size="240">3 77 3 77 19 32 19 32 8 53 8 53 19 24 19 24 7 12 7 12 20 31 20 31 11 43 11 43 6 26 6 26 7 21 7 21 7 23 7 23 8 77 8 77 18 63 18 63 4 21 4 21 2 17 2 17 1 53 1 53 11 28 11 28 12 22 12 22 12 24 12 24 13 77 13 77 3 43 3 43 9 22 9 22 2 17 2 17 16 33 16 33 16 30 16 30 17 23 17 23 17 22 17 22 18 77 18 77 13 33 13 33 14 23 14 23 7 12 7 12 6 63 6 63 1 32 1 32 54 55 54 55 34 35 34 35 64 65 64 65 44 45 44 45 36 39 36 39 37 76 37 76 38 40 38 40 38 41 38 41 37 42 37 42 36 42 36 42 46 49 46 49 47 73 47 73 48 50 48 50 48 51 48 51 47 52 47 52 46 52 46 52 56 74 56 74 57 59 57 59 58 60 58 60 58 61 58 61 57 62 57 62 56 62 56 62 66 75 66 75 67 69 67 69 68 70 68 70 68 71 68 71 67 72 67 72 66 72 66 72</array>
<array dataType="xsd:double" dictRef="cc:dihed" size="240">-0.0723 -179.9435 178.7565 -1.1147 0.3636 179.8964 -178.486 1.0468 -0.5683 178.9327 178.1205 -2.3785 -0.2398 178.5467 179.6314 -1.5821 2.0839 -177.8467 -177.7574 2.3121 0.4716 179.9418 -178.3359 1.1343 -0.3474 179.1387 178.2937 -2.2201 0.4861 -179.9914 179.9314 -0.5461 -0.4632 178.3244 -179.9288 -1.1412 -0.3699 178.5101 -179.9108 -1.0309 0.0833 179.9607 -178.7764 1.1011 -178.1542 2.3665 0.5693 -178.9101 0.228 -178.5381 -179.6495 1.5844 177.8468 -2.0761 -2.3042 177.7729 -178.2911 2.208 0.3273 -179.1736 0.4783 -179.9964 179.9248 -0.5499 -0.4567 178.3089 -179.9246 -1.159 -0.363 178.5057 -179.9066 -1.0379 0.0804 179.9524 -178.7677 1.1044 -178.1179 2.3958 0.5925 -178.8937 0.2259 -178.5178 -179.6462 1.6101 -2.0879 177.835 177.7544 -2.3227 -178.2738 2.261 0.3194 -179.1457 -0.4834 179.9982 -179.9311 0.5505 0.4601 -178.3117 179.9292 1.1574 0.3683 -178.5067 179.9053 1.0303 -0.0835 -179.953 178.771 -1.0985 178.1356 -2.3991 -0.5819 178.8833 -0.226 178.5239 179.6435 -1.6066 -177.8478 2.0827 2.313 -177.7564 178.2904 -2.2304 -0.3098 179.1694 -0.4874 179.9986 -179.9374 0.5486 91.6391 -88.4557 -88.8323 91.0728 90.9435 -88.9524 -88.5512 91.553 -91.6026 88.5044 88.8894 -91.0036 -91.0535 88.8553 88.461 -91.6302 -179.9063 0.0759 -0.0033 179.9789 179.8487 -0.1327 -0.0503 179.9684 0.0471 179.9847 -179.9347 0.0028 0.0595 -179.9445 -179.9587 0.0373 -0.0381 179.9528 -179.9754 0.0155 -0.0137 179.9953 179.9903 -0.0007 179.9197 -0.0789 0.0047 -179.9939 -179.8704 0.1579 0.0411 -179.9306 -0.0678 179.9912 179.9307 -0.0102 -0.0233 179.9902 179.949 -0.0374 0.0856 -179.9436 -179.9737 -0.0029 -0.0412 179.9876 179.9452 -0.0259 179.8666 -0.146 -0.0414 179.946 -179.9212 0.0807 -0.0096 179.9923 0.0285 -179.9817 -179.9592 0.0306 0.0729 -179.9867 -179.9289 0.0114 0.0363 -179.9891 -179.9535 0.0211 -0.0856 179.9401 179.9742 0.0 -179.8572 0.1391 0.0389 -179.9647 179.872 -0.0735 -0.0283 -179.9738 -0.0609 179.9477 179.9427 -0.0487 0.0398 -179.9715 179.9843 -0.027 0.0703 -179.9903 -179.9384 0.001 -0.0602 -179.9988 179.9512 0.0126</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="240">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|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|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>
</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="225">0.00314 0.00364 0.00367 0.00382 0.00416 0.00574 0.00813 0.00813 0.01050 0.01172 0.01172 0.01200 0.01211 0.01270 0.01270 0.01279 0.01326 0.01326 0.01351 0.01431 0.01456 0.01481 0.01505 0.01505 0.01507 0.01605 0.01608 0.01641 0.01733 0.01743 0.01743 0.01745 0.01805 0.01807 0.01808 0.01808 0.02012 0.02112 0.02115 0.02150 0.02158 0.02160 0.02162 0.02279 0.02449 0.02452 0.02453 0.02453 0.02485 0.02486 0.02486 0.02487 0.02631 0.02646 0.02646 0.02664 0.02666 0.02753 0.02753 0.02809 0.02854 0.02904 0.02905 0.02906 0.02908 0.03199 0.03214 0.03217 0.03241 0.04022 0.04182 0.04182 0.04323 0.04608 0.06485 0.06485 0.08918 0.09323 0.09324 0.09365 0.09410 0.10036 0.10079 0.10115 0.10116 0.10411 0.10411 0.10412 0.10412 0.11099 0.11101 0.11101 0.11102 0.11773 0.11787 0.11787 0.11787 0.11791 0.11920 0.11920 0.11921 0.11922 0.13754 0.13952 0.13953 0.14249 0.14341 0.14350 0.14355 0.14409 0.16790 0.17050 0.17066 0.17074 0.17097 0.17326 0.17328 0.18512 0.18513 0.18529 0.18553 0.18885 0.18887 0.18888 0.18889 0.19024 0.19170 0.19546 0.19546 0.19560 0.20677 0.21908 0.22205 0.22207 0.22499 0.22500 0.23015 0.23028 0.23039 0.23203 0.23219 0.23371 0.23373 0.23539 0.23564 0.24315 0.27437 0.27492 0.27493 0.31433 0.31433 0.31458 0.31780 0.32385 0.32841 0.32842 0.32936 0.33076 0.33310 0.33328 0.33332 0.34560 0.35582 0.35594 0.35596 0.35599 0.35793 0.35810 0.35810 0.35812 0.35860 0.35957 0.35958 0.35958 0.35959 0.36037 0.36038 0.36092 0.36153 0.36167 0.36167 0.36170 0.36401 0.36401 0.36430 0.36727 0.36754 0.37466 0.37470 0.38509 0.39369 0.39372 0.40234 0.42254 0.42261 0.42291 0.42297 0.44193 0.44198 0.44328 0.44349 0.45677 0.47794 0.47803 0.47813 0.47828 0.48096 0.48387 0.48393 0.48409 0.48429 0.49043 0.49048 0.49998 0.50236 0.50242 0.50731 0.51090 0.51305 0.51360 0.51365 0.51531 0.51535 0.51585 0.51703</array>
<array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="8">Angle between NR and scaled steps= 0.43 degrees.</array>
<array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="8">Angle between quadratic step and forces= 60.07 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">0.02707809 0.00013598 0.00000000</array>
<array dataType="xsd:double" dictRef="g:rmsint" size="3">0.00005170 0.00000861 0.00000861</array>
</list>
</module>
<module cmlx:templateRef="l103.deltas">
<list cmlx:templateRef="delta">
<array dataType="xsd:string" dictRef="cc:variable" size="480">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 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 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 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 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 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240</array>
<array dataType="xsd:double" dictRef="g:lastval" size="480">2.63573 2.70216 2.63439 2.63601 3.73383 2.70154 2.63440 2.58889 2.70152 2.06045 2.70209 2.06034 2.63566 2.63449 2.63605 3.73393 2.63435 2.58872 2.70185 2.06041 2.70205 2.06040 2.63568 2.63414 2.63586 3.73378 2.63455 2.58877 2.70188 2.06041 2.70209 2.06039 2.63565 2.63440 2.63595 3.73385 2.63448 2.58891 2.06045 2.06034 2.81058 2.81060 2.81057 2.81053 2.65397 2.65481 2.63260 2.06729 2.63960 3.60435 2.63473 2.06461 2.63276 2.06326 2.06465 2.65435 2.65428 2.63250 2.06724 2.63970 3.60499 2.63488 2.06465 2.63274 2.06324 2.06465 2.65489 2.65402 2.63942 3.60448 2.63265 2.06730 2.63311 2.06323 2.63458 2.06462 2.06466 2.65483 2.65408 2.63947 3.60448 2.63268 2.06730 2.63315 2.06323 2.63464 2.06462 2.06465 1.94135 2.18395 2.15769 1.81368 2.23471 2.23479 1.94129 2.18361 2.15808 1.86439 2.23454 2.18421 1.86401 2.23605 2.18309 1.94138 2.15769 2.18393 1.81366 2.23474 2.23478 1.94129 2.15805 2.18363 1.86432 2.23596 2.18286 1.86416 2.23599 2.18300 1.94125 2.15764 2.18411 1.81381 2.23461 2.23477 1.94119 2.15803 2.18374 1.86428 2.23598 2.18288 1.86419 2.23598 2.18298 1.94125 2.15768 2.18407 1.81382 2.23464 2.23473 1.94119 2.15801 2.18376 1.86441 2.18419 2.23454 1.86400 2.18312 2.23603 2.15766 2.06260 2.06290 2.15747 2.06299 2.06269 2.15756 2.06259 2.06300 2.15760 2.06299 2.06256 2.09142 2.15654 2.03523 2.13103 2.05979 2.09237 2.13224 2.09607 2.05488 2.09043 2.09290 2.09985 2.08640 2.09587 2.10092 2.09105 2.10549 2.08665 2.09063 2.15730 2.03526 2.13076 2.05942 2.09300 2.13255 2.09582 2.05481 2.09059 2.09291 2.09969 2.08614 2.09589 2.10115 2.09107 2.10545 2.08667 2.15649 2.09153 2.03517 2.13233 2.09598 2.05488 2.13111 2.05994 2.09214 2.08627 2.09654 2.10037 2.09033 2.09304 2.09982 2.09117 2.08555 2.10647 2.15652 2.09152 2.03514 2.13234 2.09597 2.05487 2.13114 2.05988 2.09216 2.08631 2.09653 2.10034 2.09033 2.09309 2.09976 2.09110 2.08561 2.10647 1.57078 1.57079 1.57080 1.57082 3.14161 3.14162 3.14294 3.14280 -0.00126 -3.14061 3.11989 -0.01946 0.00635 3.13979 -3.11517 0.01827 -0.00992 3.12296 3.10879 -0.04151 -0.00419 3.11623 3.13516 -0.02761 0.03637 -3.10401 -3.10245 0.04035 0.00823 3.14058 -3.11255 0.01980 -0.00606 3.12656 3.11181 -0.03875 0.00848 -3.14144 3.14039 -0.00953 -0.00808 3.11235 -3.14035 -0.01992 -0.00646 3.11559 -3.14004 -0.01799 0.00145 3.14091 -3.12024 0.01922 -3.10938 0.04130 0.00994 -3.12257 0.00398 -3.11608 -3.13547 0.02765 3.10401 -0.03623 -0.04022 3.10272 -3.11177 0.03854 0.00571 -3.12717 0.00835 -3.14153 3.14028 -0.00960 -0.00797 3.11208 -3.14028 -0.02023 -0.00634 3.11551 -3.13996 -0.01811 0.00140 3.14076 -3.12008 0.01928 -3.10874 0.04182 0.01034 -3.12228 0.00394 -3.11572 -3.13542 0.02810 -0.03644 3.10381 3.10240 -0.04054 -3.11146 0.03946 0.00558 -3.12668 -0.00844 3.14156 -3.14039 0.00961 0.00803 -3.11213 3.14036 0.02020 0.00643 -3.11553 3.13994 0.01798 -0.00146 -3.14077 3.12014 -0.01917 3.10905 -0.04187 -0.01016 3.12210 -0.00394 3.11583 3.13537 -0.02804 -3.10403 0.03635 0.04037 -3.10244 3.11175 -0.03893 -0.00541 3.12710 -0.00851 3.14157 -3.14050 0.00957 1.59940 -1.54384 -1.55042 1.58952 1.58726 -1.55251 -1.54551 1.59790 -1.59877 1.54469 1.55141 -1.58831 -1.58918 1.55082 1.54394 -1.59925 -3.13996 0.00133 -0.00006 3.14122 3.13895 -0.00232 -0.00088 3.14104 0.00082 3.14133 -3.14045 0.00005 0.00104 -3.14062 -3.14087 0.00065 -0.00066 3.14077 -3.14116 0.00027 -0.00024 3.14151 3.14142 -0.00001 3.14019 -0.00138 0.00008 -3.14149 -3.13933 0.00276 0.00072 -3.14038 -0.00118 3.14144 3.14038 -0.00018 -0.00041 3.14142 3.14070 -0.00065 0.00149 -3.14061 -3.14113 -0.00005 -0.00072 3.14138 3.14064 -0.00045 3.13926 -0.00255 -0.00072 3.14065 -3.14022 0.00141 -0.00017 3.14146 0.00050 -3.14127 -3.14088 0.00053 0.00127 -3.14136 -3.14035 0.00020 0.00063 -3.14140 -3.14078 0.00037 -0.00149 3.14055 3.14114 -0.00000 -3.13910 0.00243 0.00068 -3.14098 3.13936 -0.00128 -0.00049 -3.14113 -0.00106 3.14068 3.14059 -0.00085 0.00069 -3.14110 3.14132 -0.00047 0.00123 -3.14142 -3.14052 0.00002 -0.00105 -3.14157 3.14074 0.00022</array>
<array dataType="xsd:double" dictRef="cc:deriv" size="480">0.00007 -0.00004 0.00004 -0.00006 0.00007 0.00009 -0.00007 0.00021 0.00011 -0.00002 -0.00002 0.00000 0.00009 0.00001 -0.00007 0.00005 -0.00004 0.00025 0.00003 -0.00000 0.00002 -0.00001 0.00009 0.00015 -0.00002 0.00007 -0.00014 0.00022 0.00003 -0.00001 -0.00002 -0.00001 0.00008 0.00003 -0.00006 0.00005 -0.00011 0.00019 -0.00001 0.00000 -0.00007 -0.00008 -0.00008 -0.00005 -0.00002 0.00004 0.00002 -0.00001 -0.00007 0.00013 0.00002 0.00001 -0.00002 -0.00007 0.00002 -0.00010 0.00016 0.00003 0.00000 -0.00011 0.00004 -0.00003 0.00000 -0.00003 -0.00007 0.00002 0.00003 -0.00007 -0.00004 0.00012 0.00002 -0.00001 -0.00013 -0.00006 0.00004 0.00001 0.00002 0.00004 -0.00009 -0.00006 0.00012 -0.00001 -0.00001 -0.00015 -0.00006 0.00002 0.00001 0.00002 0.00001 -0.00000 -0.00001 0.00003 -0.00005 0.00001 0.00001 0.00002 -0.00003 -0.00004 0.00006 -0.00002 -0.00002 -0.00004 0.00005 0.00000 -0.00001 0.00000 0.00005 -0.00006 0.00001 0.00000 -0.00002 0.00001 -0.00003 -0.00008 0.00011 -0.00005 -0.00002 0.00007 0.00003 0.00001 -0.00004 0.00000 -0.00003 0.00002 0.00004 -0.00003 -0.00001 -0.00002 -0.00008 0.00010 -0.00006 -0.00001 0.00007 0.00004 -0.00002 -0.00002 0.00000 -0.00003 0.00003 0.00004 -0.00002 -0.00001 -0.00005 -0.00002 0.00007 -0.00001 0.00005 -0.00004 0.00002 0.00004 -0.00007 0.00006 -0.00010 0.00004 0.00004 0.00005 -0.00009 0.00003 -0.00010 0.00007 -0.00003 -0.00002 0.00006 -0.00004 0.00000 0.00004 -0.00005 0.00002 0.00003 -0.00001 0.00004 -0.00003 0.00003 -0.00002 -0.00001 0.00001 0.00004 -0.00005 0.00011 -0.00015 0.00004 0.00001 0.00003 -0.00004 -0.00010 0.00005 0.00004 -0.00003 0.00005 -0.00002 0.00007 -0.00003 -0.00004 0.00002 0.00003 -0.00005 -0.00000 -0.00006 0.00006 -0.00007 0.00005 0.00002 -0.00005 -0.00002 0.00006 0.00007 -0.00010 0.00003 0.00001 0.00002 -0.00003 -0.00001 0.00007 -0.00006 -0.00001 -0.00005 0.00007 -0.00007 0.00005 0.00002 -0.00006 -0.00001 0.00006 0.00005 -0.00009 0.00004 0.00001 0.00001 -0.00002 0.00000 0.00006 -0.00006 0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00002 0.00003 0.00004 0.00007 0.00007 0.00004 0.00003 -0.00011 -0.00007 -0.00007 -0.00003 0.00006 0.00006 0.00002 0.00003 -0.00002 -0.00003 -0.00001 -0.00003 -0.00007 -0.00003 -0.00008 -0.00004 -0.00005 -0.00000 -0.00003 0.00001 0.00009 0.00010 0.00008 0.00009 -0.00009 -0.00005 -0.00004 0.00000 0.00004 0.00004 -0.00001 -0.00001 0.00011 0.00007 0.00007 0.00003 -0.00008 -0.00007 -0.00004 -0.00003 -0.00001 -0.00002 -0.00006 -0.00007 0.00002 0.00003 0.00002 0.00002 0.00004 0.00007 0.00004 0.00008 -0.00008 -0.00009 -0.00009 -0.00009 -0.00008 -0.00005 -0.00003 0.00000 0.00004 0.00004 -0.00001 -0.00001 0.00010 0.00006 0.00007 0.00003 -0.00007 -0.00007 -0.00004 -0.00003 -0.00002 -0.00003 -0.00007 -0.00007 0.00002 0.00003 0.00002 0.00002 0.00007 0.00004 0.00008 0.00005 -0.00009 -0.00010 -0.00009 -0.00010 0.00009 0.00005 0.00004 -0.00000 -0.00004 -0.00004 0.00000 0.00001 -0.00011 -0.00007 -0.00007 -0.00003 0.00008 0.00007 0.00004 0.00003 0.00002 0.00004 0.00006 0.00008 -0.00002 -0.00003 -0.00002 -0.00002 -0.00003 -0.00007 -0.00004 -0.00008 0.00008 0.00009 0.00009 0.00010 0.00009 0.00005 0.00004 -0.00000 0.00001 0.00003 0.00001 0.00003 0.00004 0.00002 0.00003 0.00001 -0.00000 -0.00003 -0.00001 -0.00004 -0.00004 -0.00002 -0.00003 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00004 0.00004 0.00002 0.00002 -0.00002 -0.00000 -0.00002 -0.00001 -0.00003 -0.00002 -0.00003 -0.00002 0.00000 0.00001 -0.00001 -0.00000 0.00002 0.00001 0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00003 -0.00004 -0.00001 -0.00003 0.00003 0.00001 0.00002 0.00001 0.00002 0.00000 0.00003 0.00002 -0.00003 -0.00002 -0.00001 0.00000 0.00000 -0.00000 0.00002 0.00001 0.00003 0.00003 0.00001 0.00002 -0.00001 -0.00001 0.00001 0.00001 -0.00002 -0.00001 -0.00002 -0.00001 -0.00003 -0.00001 -0.00003 -0.00001 -0.00000 0.00000 -0.00001 -0.00001 0.00003 0.00002 0.00001 0.00000 -0.00004 -0.00004 -0.00001 -0.00001 0.00003 0.00001 0.00001 -0.00001 0.00004 0.00002 0.00004 0.00002 -0.00003 -0.00000 -0.00000 0.00002 -0.00005 -0.00001 -0.00004 0.00000 0.00005 0.00001 0.00003 -0.00001</array>
<array dataType="xsd:double" dictRef="cc:delta.linear" size="480">0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
<array dataType="xsd:double" dictRef="cc:delta.quad" size="480">0.00018 -0.00014 0.00006 -0.00029 0.00084 0.00027 -0.00010 0.00039 0.00029 -0.00007 -0.00007 -0.00001 0.00025 -0.00003 -0.00033 0.00075 -0.00005 0.00056 -0.00004 -0.00002 -0.00003 -0.00007 0.00023 0.00031 -0.00013 0.00090 -0.00025 0.00051 -0.00007 -0.00003 -0.00007 -0.00006 0.00025 0.00005 -0.00023 0.00083 -0.00018 0.00036 -0.00006 -0.00000 -0.00007 -0.00011 -0.00007 -0.00003 0.00011 -0.00003 0.00001 -0.00001 -0.00019 0.00052 0.00001 0.00004 -0.00009 -0.00021 0.00004 -0.00027 0.00050 0.00011 0.00003 -0.00029 -0.00011 -0.00013 -0.00000 -0.00007 -0.00019 0.00005 -0.00011 0.00006 -0.00001 0.00040 -0.00005 -0.00002 -0.00044 -0.00017 0.00016 0.00003 0.00003 -0.00006 -0.00000 -0.00006 0.00039 -0.00007 -0.00002 -0.00048 -0.00018 0.00010 0.00003 0.00004 0.00003 0.00017 -0.00011 0.00008 -0.00012 0.00003 0.00005 0.00015 -0.00018 -0.00011 0.00033 -0.00020 -0.00001 -0.00052 0.00053 -0.00001 -0.00011 0.00019 0.00010 -0.00015 0.00004 0.00005 -0.00015 0.00012 -0.00003 -0.00109 0.00114 -0.00016 -0.00045 0.00062 0.00013 -0.00006 0.00001 -0.00006 -0.00001 0.00006 0.00015 -0.00012 0.00000 0.00000 -0.00111 0.00113 -0.00019 -0.00045 0.00065 0.00013 -0.00010 0.00005 -0.00006 -0.00004 0.00010 0.00015 -0.00011 -0.00001 -0.00013 -0.00019 0.00034 0.00000 0.00050 -0.00049 0.00012 -0.00009 -0.00005 0.00031 -0.00014 -0.00020 0.00022 -0.00010 -0.00015 0.00018 -0.00014 -0.00006 -0.00038 0.00034 0.00004 -0.00000 -0.00018 0.00018 -0.00014 0.00031 -0.00018 -0.00007 0.00037 -0.00030 0.00021 -0.00013 -0.00007 -0.00005 0.00044 -0.00040 0.00036 -0.00037 0.00001 0.00027 0.00018 -0.00045 -0.00046 0.00057 -0.00011 -0.00023 0.00036 -0.00013 0.00047 -0.00016 -0.00031 -0.00007 0.00048 -0.00041 0.00042 -0.00051 0.00010 -0.00023 0.00043 -0.00020 -0.00008 -0.00033 0.00041 0.00035 -0.00081 0.00046 0.00004 0.00023 -0.00027 -0.00017 0.00071 -0.00054 0.00038 -0.00050 0.00013 -0.00024 0.00044 -0.00019 -0.00011 -0.00027 0.00038 0.00030 -0.00080 0.00050 0.00003 0.00018 -0.00021 -0.00011 0.00064 -0.00053 0.00002 0.00000 0.00000 -0.00002 -0.00002 -0.00002 0.00313 0.00326 0.00364 0.00708 0.00852 0.01196 -0.00441 -0.00339 -0.00921 -0.00819 0.00045 -0.00337 0.00592 0.00210 -0.00161 -0.00090 -0.00505 -0.00433 -0.01230 -0.00904 -0.00806 -0.00480 -0.00103 0.00100 -0.00174 0.00030 0.00914 0.00551 0.00994 0.00631 -0.00318 -0.00223 -0.00098 -0.00004 0.00091 0.00198 -0.00121 -0.00014 0.00454 0.00884 0.00364 0.00794 -0.00384 -0.00736 -0.00822 -0.01173 -0.00537 -0.00191 -0.00047 0.00299 0.00181 0.00072 0.00532 0.00424 0.00904 0.01217 0.00470 0.00784 -0.00998 -0.00616 -0.00876 -0.00494 -0.00303 -0.00215 -0.00086 0.00002 0.00077 0.00221 -0.00130 0.00014 0.00443 0.00891 0.00359 0.00807 -0.00381 -0.00725 -0.00837 -0.01181 -0.00596 -0.00234 -0.00085 0.00277 0.00187 0.00041 0.00531 0.00385 0.01237 0.00924 0.00813 0.00500 -0.01030 -0.00714 -0.00866 -0.00550 0.00313 0.00211 0.00098 -0.00004 -0.00085 -0.00221 0.00121 -0.00016 -0.00452 -0.00891 -0.00355 -0.00794 0.00386 0.00726 0.00833 0.01173 0.00567 0.00251 0.00067 -0.00249 -0.00185 -0.00046 -0.00526 -0.00387 -0.00905 -0.01231 -0.00485 -0.00811 0.01003 0.00658 0.00847 0.00501 0.00317 0.00211 0.00107 -0.00000 0.00338 0.00489 -0.00023 0.00128 0.00389 0.00220 0.00687 0.00518 -0.00421 -0.00595 -0.00095 -0.00269 -0.00199 -0.00055 -0.00542 -0.00398 -0.00104 -0.00092 0.00054 0.00065 0.00223 0.00114 0.00060 -0.00049 -0.00095 -0.00025 -0.00107 -0.00037 -0.00129 -0.00128 -0.00023 -0.00021 0.00024 0.00080 -0.00047 0.00009 0.00086 0.00030 0.00084 0.00028 0.00077 0.00095 -0.00057 -0.00039 -0.00182 -0.00154 -0.00042 -0.00014 0.00131 0.00067 0.00114 0.00049 0.00065 0.00048 0.00038 0.00020 -0.00106 -0.00095 -0.00041 -0.00030 0.00010 -0.00000 0.00028 0.00017 0.00191 0.00136 0.00044 -0.00011 -0.00078 -0.00099 0.00064 0.00042 -0.00075 -0.00063 -0.00021 -0.00009 -0.00140 -0.00073 -0.00118 -0.00051 -0.00002 0.00003 -0.00014 -0.00010 0.00107 0.00102 0.00040 0.00035 -0.00208 -0.00124 -0.00040 0.00044 0.00164 0.00088 0.00002 -0.00074 0.00131 0.00122 0.00049 0.00040 -0.00056 0.00001 0.00021 0.00079 -0.00183 -0.00038 -0.00174 -0.00029 0.00147 0.00000 0.00089 -0.00057</array>
<array dataType="xsd:double" dictRef="cc:delta.total" size="480">0.00016 -0.00014 0.00009 -0.00030 0.00080 0.00027 -0.00008 0.00041 0.00030 -0.00007 -0.00006 -0.00001 0.00024 -0.00001 -0.00034 0.00071 -0.00003 0.00058 -0.00004 -0.00002 -0.00003 -0.00007 0.00022 0.00034 -0.00014 0.00086 -0.00023 0.00053 -0.00007 -0.00003 -0.00006 -0.00006 0.00024 0.00008 -0.00023 0.00079 -0.00015 0.00038 -0.00006 -0.00000 -0.00007 -0.00011 -0.00007 -0.00003 0.00011 -0.00003 0.00001 -0.00001 -0.00019 0.00052 0.00001 0.00004 -0.00009 -0.00021 0.00004 -0.00027 0.00050 0.00011 0.00003 -0.00029 -0.00011 -0.00013 -0.00000 -0.00007 -0.00019 0.00005 -0.00011 0.00006 -0.00001 0.00040 -0.00005 -0.00002 -0.00044 -0.00017 0.00016 0.00003 0.00003 -0.00006 -0.00000 -0.00006 0.00039 -0.00007 -0.00002 -0.00048 -0.00018 0.00010 0.00003 0.00004 0.00001 0.00015 -0.00008 0.00010 -0.00014 0.00002 0.00003 0.00013 -0.00015 -0.00011 0.00033 -0.00021 -0.00001 -0.00051 0.00053 -0.00002 -0.00007 0.00017 0.00013 -0.00017 0.00003 0.00004 -0.00012 0.00010 -0.00003 -0.00109 0.00114 -0.00017 -0.00045 0.00062 0.00011 -0.00002 -0.00001 -0.00003 -0.00003 0.00005 0.00013 -0.00009 -0.00001 -0.00000 -0.00111 0.00113 -0.00020 -0.00045 0.00065 0.00011 -0.00007 0.00003 -0.00003 -0.00007 0.00009 0.00013 -0.00008 -0.00003 -0.00013 -0.00019 0.00033 -0.00000 0.00050 -0.00049 0.00010 -0.00009 -0.00005 0.00030 -0.00013 -0.00020 0.00021 -0.00009 -0.00015 0.00016 -0.00014 -0.00006 -0.00038 0.00034 0.00004 -0.00000 -0.00018 0.00018 -0.00014 0.00031 -0.00018 -0.00007 0.00037 -0.00030 0.00021 -0.00013 -0.00007 -0.00005 0.00044 -0.00040 0.00036 -0.00037 0.00001 0.00027 0.00018 -0.00045 -0.00046 0.00057 -0.00011 -0.00023 0.00036 -0.00013 0.00047 -0.00016 -0.00031 -0.00007 0.00048 -0.00041 0.00042 -0.00051 0.00010 -0.00023 0.00043 -0.00020 -0.00008 -0.00033 0.00041 0.00035 -0.00081 0.00046 0.00004 0.00023 -0.00027 -0.00017 0.00071 -0.00054 0.00038 -0.00050 0.00013 -0.00024 0.00044 -0.00019 -0.00011 -0.00027 0.00038 0.00030 -0.00080 0.00050 0.00003 0.00018 -0.00021 -0.00011 0.00064 -0.00053 0.00003 0.00001 0.00000 -0.00002 -0.00001 -0.00001 0.00313 0.00326 0.00364 0.00708 0.00853 0.01196 -0.00441 -0.00339 -0.00921 -0.00819 0.00045 -0.00337 0.00592 0.00210 -0.00161 -0.00090 -0.00505 -0.00433 -0.01230 -0.00904 -0.00806 -0.00481 -0.00103 0.00100 -0.00173 0.00030 0.00914 0.00551 0.00994 0.00631 -0.00318 -0.00223 -0.00098 -0.00004 0.00091 0.00198 -0.00121 -0.00014 0.00454 0.00884 0.00364 0.00794 -0.00384 -0.00736 -0.00822 -0.01173 -0.00537 -0.00191 -0.00047 0.00299 0.00181 0.00072 0.00532 0.00424 0.00904 0.01217 0.00471 0.00784 -0.00998 -0.00616 -0.00876 -0.00494 -0.00303 -0.00215 -0.00086 0.00002 0.00077 0.00221 -0.00130 0.00014 0.00443 0.00891 0.00358 0.00807 -0.00381 -0.00725 -0.00837 -0.01181 -0.00596 -0.00234 -0.00085 0.00277 0.00187 0.00041 0.00531 0.00385 0.01237 0.00924 0.00813 0.00500 -0.01030 -0.00714 -0.00866 -0.00550 0.00313 0.00211 0.00098 -0.00004 -0.00085 -0.00222 0.00121 -0.00016 -0.00452 -0.00891 -0.00355 -0.00794 0.00386 0.00726 0.00833 0.01173 0.00567 0.00251 0.00067 -0.00249 -0.00185 -0.00046 -0.00526 -0.00387 -0.00905 -0.01231 -0.00485 -0.00811 0.01003 0.00658 0.00847 0.00501 0.00317 0.00211 0.00107 0.00000 0.00338 0.00489 -0.00023 0.00128 0.00389 0.00220 0.00687 0.00518 -0.00421 -0.00595 -0.00095 -0.00269 -0.00199 -0.00055 -0.00542 -0.00398 -0.00104 -0.00092 0.00054 0.00065 0.00223 0.00114 0.00060 -0.00049 -0.00095 -0.00025 -0.00107 -0.00037 -0.00129 -0.00128 -0.00023 -0.00021 0.00024 0.00080 -0.00047 0.00009 0.00086 0.00030 0.00084 0.00029 0.00077 0.00095 -0.00057 -0.00039 -0.00182 -0.00154 -0.00042 -0.00014 0.00131 0.00067 0.00114 0.00049 0.00065 0.00048 0.00038 0.00020 -0.00106 -0.00095 -0.00041 -0.00030 0.00010 -0.00000 0.00028 0.00017 0.00191 0.00136 0.00044 -0.00011 -0.00078 -0.00099 0.00064 0.00042 -0.00075 -0.00063 -0.00021 -0.00009 -0.00140 -0.00073 -0.00118 -0.00051 -0.00002 0.00003 -0.00014 -0.00010 0.00107 0.00102 0.00040 0.00035 -0.00208 -0.00124 -0.00040 0.00044 0.00164 0.00088 0.00002 -0.00074 0.00131 0.00122 0.00049 0.00040 -0.00056 0.00001 0.00021 0.00079 -0.00183 -0.00038 -0.00174 -0.00029 0.00147 0.00000 0.00089 -0.00057</array>
<array dataType="xsd:double" dictRef="cc:newval" size="480">2.63589 2.70203 2.63448 2.63571 3.73463 2.70182 2.63433 2.58930 2.70182 2.06038 2.70203 2.06034 2.63589 2.63448 2.63571 3.73464 2.63433 2.58930 2.70182 2.06038 2.70203 2.06034 2.63589 2.63448 2.63571 3.73464 2.63433 2.58930 2.70182 2.06038 2.70203 2.06034 2.63589 2.63448 2.63571 3.73464 2.63433 2.58930 2.06038 2.06034 2.81050 2.81050 2.81050 2.81050 2.65408 2.65478 2.63260 2.06728 2.63941 3.60487 2.63474 2.06465 2.63267 2.06305 2.06469 2.65408 2.65478 2.63260 2.06728 2.63941 3.60488 2.63474 2.06465 2.63267 2.06305 2.06469 2.65478 2.65408 2.63941 3.60488 2.63260 2.06728 2.63267 2.06305 2.63474 2.06465 2.06469 2.65478 2.65408 2.63941 3.60487 2.63260 2.06728 2.63267 2.06305 2.63474 2.06465 2.06469 1.94136 2.18410 2.15761 1.81378 2.23457 2.23481 1.94133 2.18374 2.15793 1.86428 2.23488 2.18400 1.86400 2.23554 2.18362 1.94136 2.15761 2.18410 1.81378 2.23457 2.23481 1.94133 2.15793 2.18373 1.86428 2.23487 2.18400 1.86400 2.23554 2.18362 1.94136 2.15761 2.18410 1.81378 2.23457 2.23481 1.94133 2.15794 2.18373 1.86428 2.23487 2.18400 1.86400 2.23554 2.18363 1.94136 2.15761 2.18410 1.81378 2.23457 2.23481 1.94133 2.15794 2.18373 1.86428 2.18400 2.23488 1.86400 2.18362 2.23554 2.15776 2.06251 2.06285 2.15777 2.06286 2.06250 2.15776 2.06250 2.06286 2.15776 2.06285 2.06251 2.09103 2.15688 2.03527 2.13102 2.05961 2.09255 2.13210 2.09638 2.05470 2.09037 2.09327 2.09955 2.08661 2.09573 2.10084 2.09100 2.10593 2.08626 2.09099 2.15692 2.03527 2.13103 2.05961 2.09255 2.13210 2.09639 2.05470 2.09037 2.09327 2.09955 2.08661 2.09573 2.10084 2.09100 2.10593 2.08626 2.15691 2.09102 2.03526 2.13210 2.09641 2.05468 2.13103 2.05961 2.09255 2.08662 2.09573 2.10084 2.09037 2.09327 2.09955 2.09099 2.08626 2.10593 2.15690 2.09102 2.03526 2.13210 2.09640 2.05468 2.13103 2.05961 2.09255 2.08661 2.09573 2.10084 2.09037 2.09327 2.09955 2.09099 2.08626 2.10593 1.57080 1.57080 1.57080 1.57080 3.14160 3.14160 3.14607 3.14606 0.00238 -3.13353 3.12841 -0.00749 0.00194 3.13640 -3.12438 0.01008 -0.00947 3.11959 3.11471 -0.03941 -0.00580 3.11533 3.13011 -0.03195 0.02407 -3.11305 -3.11052 0.03555 0.00720 3.14158 -3.11428 0.02009 0.00308 3.13207 3.12176 -0.03243 0.00531 3.13951 3.13941 -0.00957 -0.00718 3.11433 -3.14156 -0.02006 -0.00192 3.12443 -3.13640 -0.01005 -0.00239 3.13355 -3.12845 0.00748 -3.11474 0.03939 0.00947 -3.11958 0.00578 -3.11536 -3.13015 0.03189 3.11305 -0.02406 -0.03551 3.11056 -3.12175 0.03238 -0.00305 -3.13211 0.00532 3.13950 3.13942 -0.00958 -0.00720 3.11429 -3.14158 -0.02009 -0.00191 3.12442 -3.13638 -0.01005 -0.00241 3.13351 -3.12846 0.00746 -3.11471 0.03948 0.00949 -3.11951 0.00581 -3.11532 -3.13011 0.03195 -0.02407 3.11305 3.11053 -0.03553 -3.12177 0.03232 -0.00309 -3.13219 -0.00530 -3.13951 -3.13941 0.00957 0.00718 -3.11434 3.14157 0.02004 0.00190 -3.12444 3.13639 0.01005 0.00240 -3.13351 3.12847 -0.00744 3.11472 -0.03936 -0.00949 3.11961 -0.00580 3.11537 3.13011 -0.03191 -3.11308 0.02404 0.03552 -3.11055 3.12179 -0.03235 0.00306 3.13211 -0.00533 -3.13951 -3.13943 0.00957 1.60278 -1.53895 -1.55065 1.59080 1.59115 -1.55031 -1.53864 1.60308 -1.60298 1.53874 1.55046 -1.59100 -1.59118 1.55026 1.53852 -1.60323 -3.14099 0.00040 0.00048 -3.14131 3.14118 -0.00117 -0.00028 3.14055 -0.00013 3.14107 -3.14153 -0.00032 -0.00026 3.14128 -3.14110 0.00044 -0.00043 3.14156 3.14155 0.00036 0.00062 -3.14137 -3.14092 0.00027 3.14097 -0.00043 -0.00049 3.14131 -3.14115 0.00122 0.00030 -3.14052 0.00013 -3.14108 3.14152 0.00031 0.00025 -3.14128 3.14108 -0.00045 0.00044 -3.14156 -3.14155 -0.00035 -0.00062 3.14137 3.14091 -0.00028 3.14118 -0.00119 -0.00028 3.14054 -3.14099 0.00041 0.00047 -3.14131 -0.00025 3.14128 -3.14109 0.00045 -0.00012 3.14109 -3.14153 -0.00031 0.00061 -3.14138 -3.14093 0.00027 -0.00043 3.14156 3.14154 0.00035 -3.14118 0.00119 0.00028 -3.14053 3.14100 -0.00041 -0.00047 3.14131 0.00025 -3.14129 3.14108 -0.00045 0.00013 -3.14108 3.14153 0.00032 -0.00061 3.14138 3.14093 -0.00027 0.00042 -3.14157 -3.14155 -0.00036</array>
</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">0.000247 0.000053 0.109703 0.027095</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">-2.077007e-05</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">def2SVP</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">1016</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">951</array>
<array dataType="xsd:string" dictRef="cc:symm" size="1">A</array>
</list>
<scalar dataType="xsd:integer" dictRef="cc:basiscount">951</scalar>
<scalar dataType="xsd:integer" dictRef="g:primbasis">1769</scalar>
<scalar dataType="xsd:integer" dictRef="cc:cartesianbasis">1016</scalar>
<scalar dataType="xsd:integer" dictRef="cc:alphae">242</scalar>
<scalar dataType="xsd:integer" dictRef="cc:betae">242</scalar>
<scalar dataType="xsd:double" dictRef="cc:nucrepener">10827.1971420316</scalar>
<scalar dataType="xsd:integer" dictRef="cc:natoms">77</scalar>
<scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">77</scalar>
<scalar dataType="xsd:integer" dictRef="cc:uniqatoms">77</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">T</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=131</scalar>
</module>
<module cmlx:templateRef="l301.dispersion">
<scalar dataType="xsd:string" dictRef="g:empdispersion">Grimme-D3</scalar>
<scalar dataType="xsd:double" dictRef="g:dispenergy" units="nonsi:hartree">-0.0093530855</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">n,n-DiMethylFormamide</scalar>
<scalar dataType="xsd:double" dictRef="g:eps">37.219000</scalar>
<scalar dataType="xsd:double" dictRef="g:epsinfinity">2.046330</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">C44H24Br4FeN4(2-)</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">0.0340031 0.0339993 0.0208332</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=   971   971   971   971   971 MxSgAt=    77 MxSgA2=    77.</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">-13467.4544896679</scalar>
</list>
</module>
</module>
<module cmlx:templateRef="l502.footer">
<list cmlx:templateRef="scfdone">
<list>
<scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-13467.4544897</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">1.343775111222e+04</scalar>
<scalar dataType="xsd:double" dictRef="cc:potener">-5.380421122627e+04</scalar>
<scalar dataType="xsd:double" dictRef="cc:eener">1.607183393741e+04</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=  4831838208 LenX=  4829736587 LenY=  4828703315</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=    77.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1101">Will process     78 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=111111111111111111111111111</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">NEqPCM:  Using equilibrium solvation (IEInf=0, Eps=  37.2190, EpsInf=   2.0463)</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">Density fitting will be used, IDenFit= 2 NucTyp=  0.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">23626 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=    4831838208 using IRadAn=       1.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">Solving linear equations simultaneously, MaxMat=       0.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">NFxFlg=           0 DoJE=F BraDBF=T KetDBF=F FulRan=T</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           5 NGrid=           0</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">NMat0=  120 NMatS0=    120 NMatT0=    0 NMatD0=  120 NMtDS0=    0 NMtDT0=    0</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">Integrals replicated using symmetry in FoFCou.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=           4 FoldK=F</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">IRaf= 790000000 NMat=     120 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=0 IntGTp=1.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">There are   234 degrees of freedom in the 1st order CPHF.  IDoFFX=6 NUNeed=     3.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">231 vectors produced by pass  0 Test12= 1.72D-13 1.00D-09 XBig12= 3.83D+03 3.83D+01.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">AX will form   120 AO Fock derivatives at one time.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">231 vectors produced by pass  1 Test12= 1.72D-13 1.00D-09 XBig12= 8.18D+02 5.64D+00.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">231 vectors produced by pass  2 Test12= 1.72D-13 1.00D-09 XBig12= 5.99D+00 2.09D-01.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">231 vectors produced by pass  3 Test12= 1.72D-13 1.00D-09 XBig12= 5.24D-02 3.86D-02.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">231 vectors produced by pass  4 Test12= 1.72D-13 1.00D-09 XBig12= 2.22D-04 1.33D-03.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">206 vectors produced by pass  5 Test12= 1.72D-13 1.00D-09 XBig12= 3.44D-07 5.85D-05.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">61 vectors produced by pass  6 Test12= 1.72D-13 1.00D-09 XBig12= 3.24D-10 1.38D-06.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">3 vectors produced by pass  7 Test12= 1.72D-13 1.00D-09 XBig12= 2.47D-13 3.38D-08.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">1 vectors produced by pass  8 Test12= 1.72D-13 1.00D-09 XBig12= 2.50D-16 1.04D-09.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">InvSVY:  IOpt=1 It=  1 EMax= 6.39D-14</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">Solved reduced A of dimension  1426 with   234 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     1170.91 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">1386.581 0.028 1386.560 0.142 -0.073 739.602</array>
<array dataType="xsd:double" dictRef="g:l601.pol.approx" size="6">1892.819 0.023 1892.817 0.254 -0.145 1009.768</array>
</module>
<module cmlx:templateRef="l716">
<list cmlx:templateRef="l716">
<scalar dataType="xsd:string" dictRef="g:l716">(Enter /ccc/products/gaussian-16-C.02/system/skylake/g16/l716.exe)</scalar>
</list>
</module>
</module>
</module>
<module dictRef="cc:finalization" id="finalization">
<propertyList>
<property dictRef="cc:jobtime">
<scalar dataType="xsd:string">PT61941S</scalar>
</property>
<property dictRef="cc:jobdatetime.end">
<scalar dataType="xsd:string">Mon Feb  2 21:36:46 2026</scalar>
</property>
<property dictRef="cc:popanal">
<module cmlx:templateRef="l601.popanal">
<array dataType="xsd:double" dictRef="g:alphaocc" size="242">-482.06237 -482.06236 -482.06235 -482.06235 -255.47151 -62.34139 -62.34137 -62.34137 -62.34137 -56.06517 -56.06515 -56.06515 -56.06514 -56.06230 -56.06228 -56.06228 -56.06227 -56.06219 -56.06217 -56.06217 -56.06216 -29.86222 -25.66207 -25.66207 -25.65507 -14.15273 -14.15273 -14.15270 -14.15269 -10.10520 -10.10520 -10.10519 -10.10519 -10.07368 -10.07366 -10.07366 -10.07364 -10.06790 -10.06787 -10.06787 -10.06786 -10.06434 -10.06433 -10.06432 -10.06432 -10.06218 -10.06217 -10.06217 -10.06216 -10.06168 -10.06167 -10.06167 -10.06166 -10.05180 -10.05178 -10.05178 -10.05175 -10.05168 -10.05167 -10.05166 -10.05166 -10.03541 -10.03539 -10.03539 -10.03536 -10.02600 -10.02599 -10.02598 -10.02597 -10.02556 -10.02556 -10.02555 -10.02554 -8.68501 -8.68500 -8.68500 -8.68499 -6.46375 -6.46373 -6.46373 -6.46372 -6.44878 -6.44877 -6.44876 -6.44876 -6.44783 -6.44782 -6.44782 -6.44781 -3.32371 -2.53422 -2.53420 -2.53420 -2.53419 -2.53102 -2.53100 -2.53100 -2.53099 -2.53040 -2.53039 -2.53038 -2.53038 -2.51890 -2.51889 -2.51888 -2.51888 -2.51888 -2.51887 -2.51887 -2.51887 -2.07400 -2.07400 -2.06959 -0.88248 -0.87254 -0.87253 -0.86180 -0.82790 -0.82607 -0.82607 -0.82534 -0.76006 -0.75470 -0.75467 -0.75442 -0.75316 -0.74282 -0.74282 -0.73199 -0.69608 -0.69607 -0.69564 -0.69388 -0.68910 -0.68550 -0.68550 -0.67995 -0.67308 -0.66920 -0.66920 -0.64893 -0.64133 -0.59157 -0.59156 -0.57150 -0.56072 -0.56034 -0.56033 -0.55375 -0.54629 -0.54629 -0.54453 -0.52505 -0.51210 -0.49515 -0.49515 -0.49468 -0.47058 -0.47029 -0.46844 -0.46844 -0.46684 -0.44714 -0.44714 -0.44618 -0.44424 -0.43025 -0.43024 -0.42931 -0.42875 -0.42624 -0.42623 -0.40985 -0.39848 -0.39803 -0.39802 -0.38327 -0.37724 -0.37716 -0.37716 -0.37671 -0.37362 -0.36821 -0.36821 -0.36393 -0.35379 -0.35267 -0.35240 -0.35239 -0.35048 -0.34925 -0.34804 -0.34804 -0.33885 -0.33885 -0.33835 -0.33199 -0.32040 -0.31564 -0.31369 -0.31160 -0.31159 -0.31107 -0.31031 -0.31030 -0.30966 -0.30491 -0.30491 -0.30017 -0.29941 -0.28567 -0.28564 -0.28563 -0.28479 -0.26999 -0.26991 -0.25737 -0.25736 -0.25580 -0.25409 -0.25409 -0.24983 -0.23467 -0.23339 -0.23339 -0.23091 -0.22706 -0.22705 -0.21801 -0.21712 -0.21711 -0.21606 -0.21363 -0.20732 -0.20732 -0.19802 -0.15960 -0.15266 -0.10869 -0.09724 -0.09724 -0.09305</array>
<array dataType="xsd:double" dictRef="g:alphavirt" size="709">-0.06296 -0.06296 -0.03551 -0.03496 -0.03424 -0.03387 -0.03386 -0.03308 -0.03307 -0.03169 -0.02890 -0.00352 -0.00314 -0.00310 -0.00276 0.01446 0.04320 0.05894 0.06356 0.06356 0.07619 0.09044 0.09044 0.09056 0.09201 0.09896 0.10449 0.11044 0.11045 0.11123 0.11314 0.11560 0.11615 0.11617 0.12094 0.12095 0.12294 0.12616 0.12836 0.13063 0.13063 0.13622 0.14897 0.14897 0.15534 0.15663 0.15664 0.15723 0.16218 0.16669 0.16670 0.16679 0.16909 0.18658 0.19047 0.19931 0.19931 0.21846 0.21847 0.21902 0.23056 0.24088 0.24113 0.24114 0.24472 0.24981 0.25238 0.25859 0.25860 0.25952 0.26746 0.26747 0.27707 0.27738 0.28173 0.28175 0.28248 0.28983 0.29435 0.29748 0.29748 0.29807 0.30215 0.30296 0.30460 0.30463 0.31153 0.31421 0.32162 0.32250 0.32250 0.34207 0.34207 0.34260 0.34878 0.35408 0.35408 0.36124 0.36432 0.36628 0.36629 0.37761 0.37923 0.38896 0.39290 0.39291 0.40045 0.40249 0.40250 0.40338 0.40994 0.40996 0.41000 0.41321 0.41335 0.41453 0.41493 0.41770 0.42026 0.42026 0.43019 0.43021 0.43642 0.43841 0.43986 0.43987 0.44923 0.44992 0.44993 0.45226 0.45434 0.45585 0.45587 0.46126 0.46128 0.46515 0.46660 0.46672 0.46911 0.46912 0.46982 0.47127 0.47284 0.48212 0.48213 0.48507 0.48983 0.48984 0.49435 0.49539 0.49540 0.49664 0.49807 0.49808 0.50305 0.50389 0.50883 0.50949 0.50991 0.51371 0.51371 0.51497 0.52181 0.52182 0.52192 0.52502 0.52504 0.53134 0.53322 0.53327 0.54522 0.54537 0.55634 0.55635 0.56602 0.56605 0.56736 0.56737 0.56873 0.57200 0.57357 0.57582 0.58295 0.58646 0.58647 0.59266 0.59311 0.59313 0.59416 0.59847 0.60421 0.60692 0.60694 0.60966 0.61017 0.61193 0.61194 0.61863 0.61865 0.61869 0.62095 0.62745 0.62780 0.63469 0.64057 0.64059 0.64200 0.64201 0.64311 0.64535 0.64993 0.64994 0.65039 0.65785 0.66959 0.66960 0.67434 0.67574 0.68507 0.68767 0.68767 0.69300 0.69342 0.69530 0.69530 0.69928 0.69930 0.70197 0.70600 0.70838 0.70841 0.70991 0.71750 0.72065 0.72095 0.72096 0.72115 0.72289 0.72291 0.72752 0.72942 0.73033 0.73171 0.73175 0.73912 0.74353 0.74355 0.74641 0.75031 0.75639 0.75855 0.75857 0.76137 0.76201 0.76861 0.76862 0.77412 0.77709 0.77775 0.78130 0.79490 0.79491 0.80902 0.80997 0.81392 0.81397 0.82375 0.82826 0.82878 0.83067 0.83069 0.83846 0.84245 0.84251 0.85051 0.85275 0.85276 0.85326 0.85815 0.85818 0.86617 0.87531 0.88353 0.88354 0.88584 0.88585 0.89507 0.91738 0.91740 0.92165 0.92999 0.95560 0.95812 0.95816 0.96464 0.96697 0.97407 0.97410 0.98293 0.98549 0.99302 0.99594 0.99598 0.99598 1.01673 1.03606 1.03747 1.03749 1.05099 1.06242 1.06277 1.06737 1.06738 1.07062 1.07066 1.08420 1.08752 1.09721 1.11486 1.11488 1.12152 1.12807 1.13360 1.13365 1.14707 1.17050 1.17686 1.17694 1.17700 1.17854 1.18376 1.18379 1.18985 1.19907 1.19993 1.20347 1.20468 1.20469 1.20525 1.20929 1.20932 1.21691 1.21693 1.22121 1.22232 1.22325 1.22327 1.22344 1.22910 1.22918 1.22919 1.23221 1.23759 1.26291 1.26333 1.26335 1.26439 1.26962 1.27557 1.27560 1.27708 1.29807 1.29812 1.30501 1.31122 1.31425 1.31703 1.32234 1.32236 1.32745 1.32749 1.33621 1.35632 1.37153 1.37183 1.37608 1.37649 1.37651 1.41824 1.41828 1.42881 1.44242 1.45027 1.45030 1.45274 1.45485 1.47547 1.47549 1.49055 1.49617 1.51439 1.51442 1.51702 1.52157 1.52252 1.53064 1.54802 1.54802 1.56486 1.56487 1.56559 1.60449 1.60840 1.60841 1.62900 1.64307 1.64437 1.64577 1.64752 1.64756 1.64974 1.64976 1.65063 1.68096 1.68489 1.69154 1.69155 1.69593 1.69845 1.69845 1.70064 1.70363 1.71050 1.71051 1.71230 1.72600 1.73275 1.73277 1.73291 1.73989 1.73990 1.74307 1.74477 1.74501 1.75571 1.75594 1.75744 1.75746 1.76311 1.76392 1.76393 1.76964 1.76965 1.77281 1.78160 1.78494 1.78771 1.78780 1.79562 1.79618 1.79623 1.79910 1.80751 1.81571 1.81572 1.82251 1.82402 1.82723 1.83025 1.83029 1.83751 1.86824 1.87319 1.87403 1.87404 1.88382 1.89774 1.90024 1.90027 1.91233 1.91781 1.91781 1.92589 1.93814 1.93815 1.93883 1.94477 1.95332 1.95545 1.95742 1.95752 1.95753 1.96206 1.96207 1.96395 1.96546 1.96737 1.96738 1.97786 1.97787 1.97802 1.98363 2.00292 2.00943 2.00945 2.01265 2.01500 2.03997 2.05253 2.06039 2.06041 2.06748 2.06749 2.06752 2.06946 2.08776 2.09131 2.09133 2.09228 2.10357 2.12841 2.12843 2.13003 2.14887 2.15769 2.15772 2.16066 2.16184 2.17322 2.17524 2.17525 2.17533 2.17653 2.17740 2.17786 2.17789 2.18618 2.18621 2.19716 2.20031 2.20580 2.20584 2.20676 2.21407 2.24311 2.24523 2.24524 2.26254 2.26482 2.27141 2.27145 2.27996 2.28001 2.28196 2.28945 2.29187 2.29690 2.29692 2.30390 2.31385 2.31391 2.31725 2.31833 2.32124 2.32184 2.32185 2.33345 2.33577 2.33932 2.33936 2.34293 2.36636 2.37039 2.37293 2.37294 2.37669 2.40351 2.40353 2.40821 2.41242 2.41468 2.41795 2.41796 2.42999 2.43426 2.43429 2.45801 2.48786 2.51620 2.51623 2.52843 2.53375 2.55333 2.55427 2.55429 2.59383 2.59891 2.59965 2.59967 2.61446 2.62577 2.64119 2.64344 2.64350 2.64458 2.64967 2.64972 2.65051 2.66035 2.66104 2.66106 2.66165 2.66335 2.66595 2.67189 2.67190 2.69906 2.70909 2.70950 2.70950 2.72095 2.72095 2.73425 2.74054 2.74055 2.74595 2.75360 2.76055 2.76056 2.76240 2.77185 2.77773 2.78627 2.79243 2.79245 2.79314 2.79317 2.80887 2.81367 2.82939 2.83844 2.84777 2.84778 2.87632 2.88014 2.88132 2.88178 2.88181 2.91553 2.92286 2.92296 2.92588 2.93057 2.94061 2.94071 2.95817 3.00767 3.01239 3.01239 3.01780 3.04104 3.04524 3.04526 3.04667 3.04911 3.08796 3.08798 3.09278 3.10019 3.14357 3.17341 3.17343 3.21204 3.21205 3.24923 3.24928 3.24964 3.24967 3.37831 3.38829 3.41405 3.43193 3.43634 3.43636 3.50698 3.50773 3.50773 3.50898 3.51491 3.53420 3.53424 3.55788 3.55848 3.55849 3.56030 3.56574 3.57945 3.57989 3.57992 3.57992 3.59228 3.59570 3.60282 3.60284 3.71607 3.71613 3.71645 3.71744 3.93318 3.93718 3.93718 3.94037 4.19128 4.22143 4.22715 4.23351 4.23351 4.34143 4.34144</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="77">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 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="77">C N C C C C N C C C C N C C C C N C C C C C C C H H H H H H H H C C C C C C H H H H C C C C C C H H H H C C C C C C H H H H C C C C C C H H H H Br Br Br Br Fe</array>
<array dataType="xsd:double" dictRef="x:charge" size="77">0.144137 -0.477114 0.144996 -0.124115 -0.125723 0.144189 -0.477102 0.145028 -0.123937 -0.125545 0.144193 -0.477061 0.144657 -0.123944 -0.125587 0.144259 -0.477070 0.144677 -0.124136 -0.125705 -0.089905 -0.089927 -0.089897 -0.089908 0.016315 0.016332 0.016292 0.016349 0.016305 0.016337 0.016313 0.016337 -0.078466 -0.046886 -0.028770 -0.050825 -0.037257 -0.056580 0.049882 0.063171 0.056443 0.066967 -0.078553 -0.046747 -0.028733 -0.050806 -0.037255 -0.056588 0.049912 0.063180 0.056470 0.066986 -0.078301 -0.028661 -0.046931 -0.037473 -0.050740 -0.056646 0.049889 0.056462 0.063180 0.066954 -0.078380 -0.028666 -0.046914 -0.037465 -0.050743 -0.056653 0.049895 0.056467 0.063188 0.066963 -0.073311 -0.073196 -0.073195 -0.073137 0.521827</array>
</list>
<scalar dataType="xsd:double" dictRef="x:chargesum">-2.00000</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="53">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 33 34 35 36 37 38 43 44 45 46 47 48 53 54 55 56 57 58 63 64 65 66 67 68 73 74 75 76 77</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="53">C N C C C C N C C C C N C C C C N C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C Br Br Br Br Fe</array>
<array dataType="xsd:double" dictRef="x:charge" size="53">0.144137 -0.477114 0.144996 -0.107799 -0.109391 0.144189 -0.477102 0.145028 -0.107645 -0.109196 0.144193 -0.477061 0.144657 -0.107639 -0.109250 0.144259 -0.477070 0.144677 -0.107823 -0.109368 -0.089905 -0.089927 -0.089897 -0.089908 -0.078466 0.002996 -0.028770 0.012346 0.019186 0.010387 -0.078553 0.003165 -0.028733 0.012374 0.019215 0.010398 -0.078301 -0.028661 0.002958 0.018989 0.012440 0.010309 -0.078380 -0.028666 0.002981 0.019002 0.012445 0.010311 -0.073311 -0.073196 -0.073195 -0.073137 0.521827</array>
</list>
<scalar dataType="xsd:double" dictRef="x:chargesum">-2.00000</scalar>
</module>
</property>
<property>
<module cmlx:templateRef="l716.dipole">
<array cmlx:templateRef="dipole" dataType="xsd:double" dictRef="x:d" size="3">-2.26958170e-04 -1.04294977e-03 2.30329235e-03</array>
</module>
</property>
<property>
<module cmlx:templateRef="l716.polarizability">
<array cmlx:templateRef="polariz" dataType="xsd:double" dictRef="cc:polarizability" size="6">1.38658091e+03 2.82431265e-02 1.38655980e+03 1.42109960e-01 -7.30550429e-02 7.39601516e+02</array>
</module>
</property>
<property dictRef="cc:frequencies">
<module cmlx:templateRef="l716.forcematrix">
<module cmlx:templateRef="lowfreq">
<array cmlx:templateRef="lowfreq" dataType="xsd:double" dictRef="g:1716.lowfreq" size="9">-0.0070 -0.0056 -0.0049 5.3800 8.3010 8.3807 12.1517 14.9960 15.9059</array>
</module>
<module cmlx:templateRef="l716.freq.chunkx" dictRef="cc:vibrations" id="default">
<array dataType="xsd:integer" dictRef="x:serial" size="225">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 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225</array>
<array dataType="xsd:string" delimiter="|" dictRef="cc:irrep" size="225">A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A</array>
<array dataType="xsd:double" dictRef="cc:frequency" size="225">12.0950 14.9958 15.8123 15.8679 15.9817 23.2804 34.8966 35.0272 40.3529 42.1983 45.0141 45.0407 46.2607 70.1262 89.0829 94.6202 94.6232 123.9156 124.7660 126.4955 126.5574 136.7933 142.8875 153.4483 177.4411 177.4629 219.2967 219.3142 223.7418 230.5511 261.9840 261.9906 266.4843 268.5964 268.6280 271.6869 275.2873 290.8758 300.3413 302.1052 302.1067 306.6636 324.4482 326.2618 326.2911 356.0299 356.0484 364.7735 378.5383 398.4669 407.8152 407.8234 441.6163 451.5195 458.1591 462.3193 462.3663 467.4445 479.3665 485.1970 485.2045 537.3170 561.6811 561.6989 574.1004 575.4746 575.4895 580.1233 590.0567 638.1469 649.9614 649.9676 654.0256 664.0405 664.0484 665.8747 672.7496 685.2946 696.6440 696.6916 707.4082 710.9587 713.1442 713.1498 724.7540 727.5960 745.7145 745.7320 750.2258 753.8171 754.8942 757.4736 757.4842 762.7507 763.3197 763.3295 775.0566 838.8589 839.0245 844.1365 844.1579 854.5481 854.6570 854.6701 856.0842 877.9277 879.4121 879.4519 880.8706 884.4642 895.6129 895.6288 903.8680 964.3640 964.4082 964.7285 964.7704 995.0558 999.5328 1001.1196 1001.1432 1003.0349 1003.1361 1003.1494 1003.4319 1021.0016 1024.1893 1031.8730 1031.9262 1040.2567 1050.0751 1050.1322 1053.8298 1061.7410 1069.8444 1069.8561 1072.3532 1075.6885 1075.7236 1081.3417 1084.6532 1127.9789 1128.0275 1128.0663 1128.2533 1150.0860 1150.0919 1150.1193 1150.1279 1197.8631 1223.9387 1223.9438 1240.2516 1247.5570 1249.1851 1249.2223 1250.6561 1275.5824 1279.8399 1279.9011 1290.0609 1320.9251 1348.8062 1348.8350 1374.3561 1374.4698 1374.5764 1374.7984 1397.6404 1407.5996 1415.1186 1416.7160 1416.7324 1436.5833 1451.7472 1452.4583 1452.5108 1452.5382 1480.8426 1494.5377 1494.5591 1500.6818 1513.5504 1516.8714 1516.9070 1560.5076 1583.9835 1592.2303 1592.2933 1620.4632 1620.7740 1620.8379 1620.9132 1621.4296 1626.4463 1626.5291 1634.2014 1652.6951 1652.8871 1652.9107 1653.4158 3170.6950 3170.7077 3170.7530 3170.8824 3182.5975 3182.6095 3182.6149 3182.6370 3193.7889 3193.8186 3193.8494 3193.8749 3202.7106 3202.7493 3202.7693 3202.7902 3205.3998 3205.7339 3205.7554 3206.0142 3226.4174 3226.6248 3226.6509 3227.0487</array>
<array dataType="xsd:double" dictRef="cc:redmass" size="225">10.6618 24.1004 12.9944 14.5170 11.4563 12.6447 10.3983 10.3704 5.3688 6.2337 5.5809 5.5714 20.0160 4.9477 13.4990 7.2747 7.2737 6.8829 4.3346 4.4388 4.4379 7.4986 4.9153 6.5128 6.8702 6.8705 8.4857 8.4863 9.3516 9.1134 6.4288 6.4291 5.2792 5.9578 5.9585 5.0782 6.7017 6.0001 4.6649 9.8720 9.8714 11.5773 8.2930 7.6463 7.6401 6.9880 6.9929 9.1001 5.8965 8.1129 5.9153 5.9156 8.6195 3.8087 3.3757 3.6493 3.6487 4.1954 4.7226 5.8440 5.8434 4.1691 4.1993 4.1995 6.4423 7.6419 7.6423 3.9730 9.5981 6.8282 6.2257 6.2262 6.4109 3.1064 3.1065 2.5098 4.7809 7.2590 6.5142 6.5142 1.6821 4.4959 2.2783 2.2785 4.7383 5.6796 4.3336 4.3404 2.3164 2.0453 1.2870 1.3139 1.3140 1.7309 2.9765 2.9766 4.3561 3.0782 4.6872 3.5764 3.5812 1.3155 1.3179 1.3177 1.3190 5.2275 1.8770 1.8764 1.5165 1.7030 3.6962 3.6920 6.9568 1.3980 1.3957 1.3980 1.3980 2.2181 9.1514 7.2926 7.2611 1.3080 1.3386 1.3382 1.3282 2.3359 7.3757 3.7421 3.7349 7.0235 3.3563 3.3604 4.1701 1.2585 1.3069 1.3077 1.5714 1.8306 1.8305 1.8782 2.0692 1.4874 1.4828 1.4829 1.4738 1.0570 1.0570 1.0570 1.0569 1.6413 2.3494 2.3495 2.1078 3.4572 1.9275 1.9290 1.6858 2.0171 2.5221 2.5169 3.1981 9.2480 6.0988 6.0951 9.0209 9.0341 9.0466 9.0642 3.1132 7.8478 4.3734 4.5054 4.5045 5.8855 2.4920 2.5070 2.5045 2.5061 4.2921 3.5062 3.5060 3.1909 4.5962 5.1541 5.1538 7.1801 8.4255 7.7177 7.7172 6.9730 6.4397 6.4265 6.4483 7.0702 10.6405 10.6441 10.6305 7.0996 7.1084 7.1052 7.1280 1.0878 1.0878 1.0878 1.0877 1.0894 1.0894 1.0894 1.0894 1.0953 1.0953 1.0953 1.0953 1.0995 1.0995 1.0995 1.0995 1.0880 1.0883 1.0883 1.0885 1.1064 1.1064 1.1064 1.1063</array>
<array dataType="xsd:double" dictRef="cc:forceconst" size="225">0.0009 0.0032 0.0019 0.0022 0.0017 0.0040 0.0075 0.0075 0.0052 0.0065 0.0067 0.0067 0.0252 0.0143 0.0631 0.0384 0.0384 0.0623 0.0398 0.0418 0.0419 0.0827 0.0591 0.0904 0.1274 0.1275 0.2404 0.2405 0.2758 0.2854 0.2600 0.2600 0.2209 0.2532 0.2533 0.2209 0.2992 0.2991 0.2479 0.5308 0.5308 0.6415 0.5143 0.4796 0.4792 0.5219 0.5223 0.7134 0.4978 0.7589 0.5796 0.5797 0.9904 0.4575 0.4175 0.4596 0.4596 0.5401 0.6394 0.8106 0.8105 0.7092 0.7806 0.7806 1.2510 1.4911 1.4912 0.7878 1.9689 1.6383 1.5496 1.5497 1.6157 0.8071 0.8071 0.6557 1.2749 2.0085 1.8627 1.8629 0.4959 1.3389 0.6827 0.6827 1.4664 1.7715 1.4199 1.4221 0.7682 0.6848 0.4321 0.4442 0.4442 0.5933 1.0218 1.0219 1.5417 1.2762 1.9441 1.5015 1.5036 0.5660 0.5672 0.5671 0.5696 2.3739 0.8553 0.8551 0.6933 0.7849 1.7468 1.7449 3.3486 0.7660 0.7648 0.7666 0.7667 1.2940 5.3868 4.3063 4.2879 0.7753 0.7936 0.7934 0.7879 1.4347 4.5584 2.3476 2.3433 4.4780 2.1805 2.1834 2.7286 0.8359 0.8813 0.8819 1.0647 1.2480 1.2480 1.2939 1.4343 1.1150 1.1117 1.1118 1.1053 0.8237 0.8237 0.8238 0.8237 1.3876 2.0736 2.0737 1.9103 3.1703 1.7721 1.7737 1.5536 1.9338 2.4340 2.4292 3.1359 9.5073 6.5373 6.5336 10.0392 10.0555 10.0711 10.0939 3.5830 9.1613 5.1601 5.3278 5.3269 7.1564 3.0944 3.1161 3.1132 3.1153 5.5454 4.6142 4.6141 4.2339 6.2036 6.9872 6.9871 10.3019 12.4551 11.5278 11.5281 10.7882 9.9669 9.9472 9.9819 10.9516 16.5840 16.5913 16.7268 11.4254 11.4422 11.4373 11.4811 6.4434 6.4434 6.4436 6.4437 6.5011 6.5011 6.5011 6.5016 6.5826 6.5825 6.5828 6.5829 6.6450 6.6449 6.6449 6.6450 6.5860 6.5892 6.5893 6.5917 6.7856 6.7867 6.7868 6.7877</array>
<array dataType="xsd:double" dictRef="cc:irintensity" size="225">0.0001 0.0121 0.0205 0.0293 0.0105 2.9770 0.2196 0.2309 0.0001 0.0000 3.2208 3.2365 0.0025 0.0000 2.0601 0.0384 0.0385 1.8605 0.0341 1.4600 1.4595 0.3477 0.0000 0.0000 0.8508 0.8490 0.6301 0.6294 0.0000 0.0004 1.5276 1.5276 0.0181 0.6983 0.6992 0.2092 4.8519 0.0000 0.0004 1.7622 1.7652 0.2885 0.0003 1.4452 1.4434 1.1563 1.1588 23.2682 0.0000 0.0005 58.3043 58.3093 6.4322 0.0008 0.0142 39.8577 39.8259 1.5587 0.0000 2.1731 2.1657 0.0001 1.5802 1.5755 0.0003 2.5270 2.5334 0.0001 2.2025 0.0000 22.3191 22.3044 25.7974 0.1643 0.1622 0.0003 0.0626 0.0001 2.8339 2.8194 71.1302 162.8135 0.8339 0.8410 0.2575 0.0002 8.0339 8.1276 0.0004 0.0001 0.0781 236.4165 236.4615 0.0026 0.7712 0.7616 121.6759 0.0001 0.0001 56.8518 56.8429 0.2726 2.2130 2.0855 0.0010 0.4381 8.5949 8.5821 0.0017 0.0180 0.5942 0.5952 0.0000 0.0097 0.0050 1.1221 1.1277 0.0782 0.0104 112.2555 112.1178 0.0159 2.1852 2.1446 0.0158 0.0069 181.2946 49.8988 49.8767 0.0010 0.4755 0.4695 60.1494 0.1597 134.6677 134.4334 0.4297 19.0258 19.1526 0.1307 30.1086 0.6457 9.1198 9.4287 0.1184 2.4969 0.1022 2.4396 0.1213 0.4164 139.0081 139.0183 0.0001 0.0024 3.1431 3.1843 3.7382 0.0045 59.8200 59.8265 3.8866 0.0007 27.7372 27.6913 15.8667 3.6859 9.3707 2.1286 0.0040 0.0030 0.7335 96.4254 96.6060 0.0856 0.1555 10.7877 46.4930 33.2942 0.0076 236.9367 237.0803 27.1351 0.0986 145.3199 145.3635 1.6700 0.0017 538.9925 538.8256 0.2829 7.4316 17.0911 10.6344 0.1636 75.5113 75.7757 0.0725 15.9782 12.3411 12.2494 0.0877 5.0410 5.8008 5.4326 5.3401 9.6573 10.7942 5.4459 6.7745 24.7248 22.0997 25.0290 21.2159 26.8464 33.4390 29.6196 16.2956 0.2508 14.3658 14.1727 0.5361 3.2941 71.8703 69.5985 1.0102</array>
<array dataType="xsd:double" dictRef="cc:displacement" size="51975">-0.01 -0.01 -0.02 -0.00 -0.00 0.01 -0.00 -0.01 0.04 -0.01 0.00 -0.05 -0.01 0.01 -0.01 -0.01 0.01 0.02 -0.01 0.00 -0.01 -0.01 0.00 -0.04 0.01 -0.00 -0.05 0.01 -0.01 -0.01 0.01 -0.01 0.02 0.00 -0.00 -0.01 0.01 -0.00 -0.04 0.00 0.01 0.05 0.01 0.01 0.01 0.01 0.01 -0.02 0.00 0.00 0.01 0.00 0.01 0.04 -0.00 -0.01 0.05 -0.01 -0.01 0.01 -0.01 -0.00 -0.05 0.01 0.00 -0.05 -0.00 0.01 0.05 0.00 -0.01 0.05 -0.01 0.00 -0.07 -0.01 0.01 0.01 0.01 -0.00 -0.07 0.01 -0.01 0.01 0.00 0.01 0.07 0.01 0.01 -0.01 -0.00 -0.01 0.08 -0.01 -0.01 -0.00 0.01 0.00 -0.09 0.04 0.04 -0.11 -0.00 -0.03 -0.11 0.04 0.04 -0.14 0.00 -0.02 -0.15 0.03 0.01 -0.16 0.05 0.06 -0.09 0.06 0.07 -0.15 -0.01 -0.05 -0.16 0.03 0.01 -0.19 0.00 -0.02 0.09 0.04 -0.04 0.10 -0.03 0.00 0.11 0.04 -0.04 0.14 -0.02 -0.00 0.15 0.01 -0.03 0.16 0.06 -0.05 0.09 0.07 -0.06 0.15 -0.05 0.01 0.16 0.01 -0.03 0.19 -0.02 -0.01 -0.09 0.00 0.03 -0.11 -0.04 -0.04 -0.11 -0.00 0.02 -0.15 -0.04 -0.04 -0.14 -0.03 -0.01 -0.16 -0.05 -0.07 -0.09 0.01 0.05 -0.16 -0.06 -0.07 -0.15 -0.03 -0.01 -0.19 -0.01 0.01 0.09 0.03 -0.00 0.11 -0.04 0.04 0.11 0.02 0.00 0.15 -0.04 0.04 0.14 -0.01 0.03 0.16 -0.06 0.05 0.09 0.05 -0.01 0.16 -0.07 0.06 0.15 -0.01 0.03 0.19 -0.07 0.03 0.09 0.03 0.07 -0.09 0.07 -0.03 0.09 -0.03 -0.07 -0.09 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.13 -0.02 0.00 0.11 0.01 0.01 -0.14 -0.02 0.01 0.11 0.01 0.01 -0.01 -0.00 0.01 -0.22 -0.03 -0.00 -0.23 -0.03 0.01 0.21 0.02 0.02 -0.01 -0.01 0.02 -0.00 -0.00 -0.01 0.01 -0.13 -0.01 -0.02 0.11 -0.00 0.01 -0.14 -0.00 -0.02 0.11 0.00 -0.00 -0.01 0.00 0.02 -0.23 -0.01 0.02 -0.24 -0.01 -0.02 0.21 0.01 -0.00 -0.02 0.00 -0.00 -0.00 -0.01 -0.10 -0.02 -0.00 0.10 0.01 -0.01 -0.10 -0.01 0.00 0.11 0.01 -0.00 0.00 -0.00 0.00 0.18 0.02 -0.01 -0.18 -0.02 0.01 0.19 0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.10 0.01 -0.02 0.10 0.00 0.01 -0.10 0.02 -0.02 0.11 0.01 -0.00 0.00 0.01 -0.03 0.19 -0.00 0.02 -0.18 0.02 -0.03 0.19 0.01 -0.01 0.00 0.02 -0.03 0.27 0.00 -0.24 -0.03 -0.00 0.03 -0.24 0.01 0.27 0.03 0.01 -0.00 -0.00 -0.01 0.01 -0.04 0.00 0.02 -0.04 0.00 0.02 -0.05 0.02 -0.00 -0.02 -0.05 0.01 -0.01 -0.05 0.01 -0.01 -0.04 0.01 -0.02 -0.02 0.00 -0.02 -0.03 0.04 -0.04 -0.01 0.04 -0.05 -0.02 0.03 -0.05 -0.00 0.03 -0.04 0.01 0.04 -0.04 0.01 0.04 -0.01 0.03 0.04 -0.01 0.05 0.04 -0.02 0.04 0.03 -0.02 0.01 0.03 -0.01 0.00 0.01 -0.05 0.03 0.00 -0.05 0.02 0.00 -0.03 -0.02 0.04 -0.03 0.03 0.02 -0.01 -0.02 0.02 -0.05 0.01 -0.01 -0.02 -0.06 0.00 -0.00 -0.07 0.05 -0.04 -0.02 0.04 -0.06 -0.04 0.04 -0.00 0.03 0.05 -0.01 0.07 0.01 -0.06 0.05 -0.00 -0.05 0.03 0.06 -0.03 0.05 0.18 -0.04 0.06 -0.04 -0.02 0.06 0.20 -0.04 0.08 -0.02 -0.02 0.08 0.10 -0.03 0.09 0.25 -0.04 0.06 0.29 -0.04 0.09 -0.09 -0.02 0.08 0.11 -0.03 0.10 0.03 -0.06 0.01 0.04 -0.21 0.00 0.02 0.06 0.01 0.04 -0.23 0.00 0.02 0.04 0.01 0.03 -0.11 0.01 0.04 -0.31 -0.00 0.05 -0.35 -0.00 0.01 0.13 0.01 0.03 -0.12 0.01 -0.01 -0.03 -0.02 -0.02 -0.03 -0.02 -0.01 -0.04 -0.02 -0.03 -0.03 -0.03 -0.02 -0.04 -0.03 -0.03 -0.04 -0.03 -0.00 -0.04 -0.02 -0.04 -0.03 -0.03 -0.02 -0.04 -0.03 -0.04 -0.04 -0.03 0.02 0.00 -0.04 0.01 0.04 -0.05 0.04 -0.03 -0.04 0.01 0.06 -0.06 0.04 -0.02 -0.05 0.02 0.02 -0.06 0.05 -0.07 -0.03 -0.00 0.09 -0.06 0.05 -0.05 -0.06 0.02 0.03 -0.07 0.00 0.24 0.01 -0.02 -0.03 -0.02 -0.01 0.08 -0.04 -0.18 -0.02 0.05 0.02 -0.03 0.00 -0.03 -0.03 -0.03 -0.03 -0.03 -0.02 -0.03 -0.03 -0.03 -0.02 -0.04 0.01 -0.03 -0.04 0.03 -0.03 -0.04 0.03 -0.03 -0.04 0.01 -0.03 -0.04 -0.01 -0.04 -0.03 0.02 -0.04 -0.03 0.00 -0.04 -0.03 -0.01 -0.04 -0.03 0.00 -0.04 -0.03 0.02 -0.04 -0.04 0.02 -0.04 -0.04 0.01 -0.04 -0.04 0.02 -0.04 -0.04 0.02 -0.04 -0.04 0.03 -0.03 -0.02 -0.04 -0.03 -0.03 -0.04 -0.02 -0.03 -0.02 -0.04 -0.03 0.02 -0.03 -0.04 0.03 -0.04 -0.02 -0.03 -0.02 -0.04 -0.00 -0.03 -0.04 0.04 -0.04 -0.03 0.04 -0.04 -0.02 -0.00 -0.04 -0.04 0.01 -0.04 -0.04 0.00 -0.03 -0.02 -0.04 -0.02 -0.03 -0.04 -0.05 -0.04 0.03 -0.16 -0.05 0.03 0.05 -0.02 0.03 -0.18 -0.05 0.03 0.04 -0.02 0.04 -0.07 -0.04 0.04 -0.24 -0.06 0.02 -0.27 -0.06 0.03 0.12 -0.01 0.04 -0.08 -0.04 0.04 -0.04 -0.02 -0.04 -0.04 -0.08 -0.04 -0.03 0.03 -0.04 -0.04 -0.08 -0.05 -0.03 0.04 -0.05 -0.04 -0.02 -0.06 -0.05 -0.12 -0.04 -0.05 -0.12 -0.06 -0.03 0.08 -0.06 -0.04 -0.02 -0.07 -0.02 -0.03 -0.04 0.06 -0.02 -0.05 -0.11 -0.05 -0.04 0.06 -0.02 -0.06 -0.11 -0.05 -0.05 -0.02 -0.04 -0.06 -0.18 -0.07 -0.03 0.13 -0.00 -0.07 -0.18 -0.07 -0.06 -0.02 -0.04 -0.07 -0.03 -0.05 0.05 -0.03 0.05 0.05 -0.04 -0.16 0.06 -0.03 0.04 0.07 -0.04 -0.17 0.07 -0.04 -0.07 0.07 -0.04 -0.24 0.05 -0.03 0.12 0.07 -0.04 -0.27 0.08 -0.04 -0.08 0.08 -0.03 0.10 -0.04 0.17 0.01 -0.04 -0.03 0.20 0.04 0.20 -0.00 0.03 -0.03 -0.03 0.00 -0.04 0.00 0.03 -0.03 0.00 0.01 -0.03 -0.01 0.00 -0.05 0.03 -0.03 -0.04 0.04 -0.04 -0.03 0.03 -0.01 -0.03 0.02 0.00 -0.05 0.02 0.00 0.01 -0.01 -0.05 0.00 -0.02 -0.07 -0.01 -0.01 -0.04 -0.01 0.00 -0.02 0.00 0.00 -0.03 -0.00 0.04 0.05 0.01 0.04 0.05 0.00 0.02 0.02 -0.01 0.03 0.01 -0.01 0.04 0.02 -0.04 -0.02 0.03 -0.05 -0.01 0.06 -0.05 0.01 0.03 0.01 0.01 0.00 -0.02 0.04 0.00 -0.02 -0.02 -0.03 -0.06 0.03 -0.04 -0.05 0.05 -0.06 0.02 -0.01 -0.06 0.00 -0.02 -0.09 -0.00 0.05 0.07 0.01 0.04 0.06 -0.04 -0.03 0.04 -0.06 -0.01 0.08 0.02 0.02 0.00 0.05 0.01 0.01 0.02 0.02 0.01 0.06 0.01 0.01 0.04 0.02 0.01 0.06 0.02 0.01 0.05 0.01 0.01 0.08 0.01 0.01 0.03 0.02 0.01 0.08 0.02 0.02 -0.02 -0.03 -0.04 -0.03 -0.07 -0.05 -0.01 -0.01 -0.05 -0.03 -0.09 -0.07 -0.01 -0.03 -0.07 -0.02 -0.07 -0.08 -0.04 -0.09 -0.05 -0.04 -0.12 -0.07 0.00 -0.02 -0.08 -0.02 -0.09 -0.09 -0.07 0.01 0.04 0.04 0.01 0.04 -0.21 0.01 0.05 0.02 0.01 0.06 -0.24 0.01 0.06 -0.12 0.01 0.07 -0.30 0.01 0.05 0.11 0.01 0.06 -0.35 0.01 0.07 -0.14 0.01 0.08 -0.03 0.06 0.00 -0.02 -0.03 0.00 -0.03 0.18 -0.00 -0.02 -0.01 -0.00 -0.03 0.20 -0.01 -0.03 0.11 -0.01 -0.04 0.25 -0.00 -0.02 -0.08 -0.00 -0.04 0.29 -0.01 -0.03 0.13 -0.01 0.00 0.04 -0.04 0.22 0.01 0.03 -0.01 -0.18 0.01 -0.01 0.02 0.00 -0.02 0.01 0.00 -0.00 -0.00 -0.07 -0.00 -0.00 -0.09 -0.00 -0.00 -0.07 -0.00 -0.00 -0.06 -0.00 -0.00 -0.06 0.00 -0.00 -0.07 0.00 -0.00 -0.09 -0.00 -0.00 -0.07 -0.00 0.00 -0.06 -0.00 -0.00 -0.06 -0.00 0.00 -0.07 -0.00 0.00 -0.09 -0.00 0.00 -0.07 -0.00 -0.00 -0.06 -0.00 -0.00 -0.06 -0.00 0.00 -0.07 0.00 0.00 -0.09 0.00 0.00 -0.07 -0.00 -0.00 -0.06 -0.00 -0.00 -0.06 -0.00 -0.00 -0.07 -0.00 0.00 -0.06 0.00 -0.00 -0.06 -0.00 -0.00 -0.06 -0.00 -0.00 -0.05 -0.00 -0.00 -0.05 -0.00 -0.00 -0.05 -0.00 -0.00 -0.05 -0.00 -0.00 -0.05 -0.00 -0.00 -0.05 -0.00 -0.00 -0.05 -0.00 -0.00 -0.05 -0.00 -0.00 0.00 0.01 -0.07 0.04 -0.01 0.06 0.04 0.01 -0.07 0.11 -0.01 0.05 0.12 0.00 -0.01 0.15 0.01 -0.11 0.00 0.02 -0.12 0.13 -0.01 0.10 0.15 0.01 -0.02 0.21 0.00 -0.00 0.00 0.06 0.01 0.04 -0.06 -0.01 0.05 0.07 0.01 0.11 -0.05 -0.00 0.12 0.01 0.00 0.15 0.11 0.01 0.00 0.12 0.02 0.13 -0.10 -0.01 0.15 0.02 0.01 0.21 -0.00 0.00 0.00 0.01 -0.06 0.04 -0.01 0.07 0.03 0.01 -0.05 0.12 -0.02 0.07 0.11 -0.01 0.01 0.15 -0.02 0.11 0.00 0.01 -0.10 0.15 -0.03 0.12 0.13 -0.01 0.02 0.21 -0.00 -0.00 0.00 0.06 0.01 0.05 -0.07 -0.01 0.04 0.05 0.01 0.12 -0.07 -0.01 0.11 -0.01 -0.01 0.15 -0.12 -0.02 0.00 0.10 0.01 0.15 -0.13 -0.02 0.14 -0.02 -0.01 0.21 -0.15 -0.02 0.01 0.02 -0.15 0.00 0.15 0.02 0.01 -0.02 0.15 0.01 -0.00 -0.00 -0.09 0.00 -0.02 0.10 0.00 -0.02 0.06 0.00 -0.02 0.05 0.00 -0.02 0.14 0.00 -0.02 0.11 0.00 -0.02 0.06 0.00 -0.02 0.07 0.00 -0.02 0.11 0.00 -0.02 -0.13 0.00 -0.02 -0.11 0.00 -0.02 -0.06 0.00 -0.02 -0.07 0.00 -0.02 -0.11 0.00 -0.02 -0.09 0.00 -0.02 -0.12 0.00 -0.02 -0.11 0.00 -0.02 -0.06 0.00 -0.02 -0.05 0.00 -0.02 0.09 0.00 -0.02 0.12 0.00 -0.02 0.12 0.00 -0.02 -0.12 0.00 -0.02 0.01 0.00 -0.02 -0.01 0.00 -0.02 0.17 0.00 -0.02 0.11 0.00 -0.02 -0.17 0.00 -0.02 -0.11 0.00 -0.02 -0.09 0.00 -0.02 -0.16 0.00 -0.02 0.09 0.00 -0.02 0.16 0.00 -0.02 -0.06 0.01 -0.09 -0.02 -0.00 0.05 -0.01 0.01 -0.10 0.06 0.00 0.05 0.07 0.01 -0.03 0.11 0.01 -0.15 -0.06 0.02 -0.16 0.09 0.00 0.10 0.11 0.01 -0.03 0.18 0.00 -0.04 -0.00 0.01 -0.07 -0.00 0.00 -0.05 -0.00 0.01 -0.12 0.00 0.00 -0.10 0.00 0.01 -0.13 0.00 0.01 -0.06 -0.00 0.02 -0.14 0.00 0.00 -0.11 0.01 0.01 -0.17 0.01 0.00 -0.02 0.06 -0.00 0.05 0.01 0.01 -0.09 0.02 0.00 0.05 -0.07 0.02 -0.10 -0.06 0.01 -0.03 -0.11 0.02 -0.15 0.06 -0.00 0.10 -0.11 0.02 -0.16 -0.09 0.02 -0.03 -0.18 0.00 -0.04 0.00 0.00 -0.05 0.00 0.01 -0.07 0.00 0.00 -0.10 -0.00 0.01 -0.12 -0.00 0.01 -0.13 -0.00 0.01 -0.06 0.00 0.00 -0.11 -0.01 0.02 -0.14 -0.00 0.01 -0.17 -0.01 -0.01 -0.01 -0.00 -0.01 0.16 0.06 -0.01 -0.01 0.00 -0.01 0.16 -0.06 0.00 -0.02 -0.00 -0.02 -0.00 0.06 -0.02 -0.00 0.07 -0.02 -0.00 0.11 -0.02 -0.00 -0.09 -0.02 -0.00 -0.12 -0.02 -0.00 -0.10 -0.02 -0.00 -0.06 -0.02 -0.00 -0.05 -0.02 -0.00 0.09 -0.02 -0.00 0.12 -0.02 -0.00 0.11 -0.02 -0.00 0.06 -0.02 -0.00 0.05 -0.02 -0.00 -0.14 -0.02 -0.00 -0.11 -0.02 -0.00 -0.06 -0.02 -0.00 -0.07 -0.02 -0.00 -0.11 -0.02 -0.00 0.13 -0.02 -0.00 0.10 -0.02 -0.00 0.01 -0.02 -0.00 -0.01 -0.02 -0.00 -0.12 -0.02 -0.00 0.12 -0.02 -0.00 -0.09 -0.02 -0.00 -0.16 -0.02 -0.00 0.09 -0.02 -0.00 0.16 -0.02 -0.00 -0.17 -0.02 -0.00 -0.11 -0.02 -0.00 0.17 -0.02 -0.00 0.11 -0.04 -0.00 -0.00 -0.07 -0.01 -0.00 -0.05 -0.00 0.00 -0.12 -0.01 0.00 -0.10 -0.01 0.00 -0.14 -0.01 0.00 -0.06 -0.01 -0.00 -0.14 -0.02 0.00 -0.11 -0.00 0.00 -0.18 -0.01 0.01 -0.02 -0.00 0.06 -0.09 -0.01 0.02 0.05 0.00 0.01 -0.10 -0.01 -0.06 0.05 -0.00 -0.07 -0.03 -0.01 -0.11 -0.15 -0.01 0.06 -0.16 -0.02 -0.09 0.10 -0.00 -0.11 -0.03 -0.02 -0.18 -0.04 -0.00 0.00 -0.05 -0.00 0.00 -0.07 -0.01 0.00 -0.10 -0.00 -0.00 -0.12 -0.01 -0.00 -0.14 -0.01 -0.01 -0.06 -0.01 0.00 -0.11 -0.00 -0.01 -0.14 -0.02 -0.00 -0.18 -0.01 -0.01 -0.02 -0.00 -0.06 0.05 0.00 -0.01 -0.09 -0.01 -0.02 0.05 -0.00 0.07 -0.10 -0.01 0.06 -0.03 -0.01 0.11 -0.14 -0.01 -0.06 0.10 0.00 0.11 -0.16 -0.02 0.09 -0.03 -0.02 0.17 0.16 0.01 0.06 -0.01 0.01 0.00 0.16 0.01 -0.06 -0.01 0.01 -0.00 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 0.00 -0.00 0.08 0.01 0.00 0.06 0.00 -0.00 0.16 0.01 0.00 0.15 0.01 0.00 0.20 0.01 0.00 0.05 0.01 0.00 0.21 0.02 0.00 0.18 0.01 0.00 0.28 0.02 0.00 -0.00 0.03 -0.00 -0.01 0.08 0.00 -0.00 0.06 -0.00 -0.01 0.16 0.00 -0.01 0.15 0.00 -0.02 0.20 0.00 -0.01 0.05 0.00 -0.02 0.21 0.00 -0.01 0.17 0.00 -0.02 0.27 0.00 -0.03 -0.00 -0.00 -0.06 -0.00 -0.00 -0.08 -0.01 0.00 -0.15 -0.01 0.00 -0.16 -0.01 0.00 -0.20 -0.01 0.00 -0.05 -0.01 0.00 -0.17 -0.01 0.00 -0.20 -0.02 0.00 -0.27 -0.02 0.00 0.00 -0.03 -0.00 0.00 -0.06 -0.00 0.01 -0.08 0.00 0.01 -0.15 0.00 0.01 -0.16 0.00 0.01 -0.20 0.00 0.00 -0.05 0.00 0.01 -0.17 0.00 0.02 -0.20 0.00 0.02 -0.27 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 0.06 0.00 0.00 0.11 0.00 -0.00 -0.21 0.00 -0.00 -0.20 0.00 -0.00 -0.09 0.00 -0.00 -0.06 0.00 -0.00 -0.11 -0.00 0.00 -0.21 -0.00 0.00 -0.20 -0.00 0.00 -0.09 -0.00 0.00 -0.06 -0.00 0.00 -0.11 -0.00 -0.00 0.21 -0.00 -0.00 0.20 -0.00 -0.00 0.09 -0.00 -0.00 0.06 -0.00 -0.00 0.11 0.00 0.00 0.21 0.00 0.00 0.20 -0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 0.01 0.00 -0.01 -0.27 0.00 -0.01 -0.25 -0.00 0.01 -0.27 -0.00 0.01 -0.25 -0.01 -0.00 0.27 -0.01 -0.00 0.25 0.01 0.00 0.27 0.01 0.00 0.25 -0.00 0.00 -0.01 -0.02 -0.01 -0.01 0.01 0.01 -0.00 -0.04 -0.01 0.00 -0.00 0.01 0.01 -0.02 -0.00 0.01 -0.03 -0.02 -0.01 -0.05 -0.02 0.01 0.01 0.02 0.01 -0.03 -0.00 0.02 0.00 0.00 0.01 -0.01 0.02 0.01 0.01 -0.01 0.00 -0.01 0.04 -0.00 0.01 0.00 -0.01 -0.00 0.02 -0.01 -0.02 0.03 0.01 -0.02 0.05 -0.01 0.02 -0.01 -0.01 -0.00 0.03 -0.02 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.02 0.01 -0.01 0.00 -0.01 0.01 0.04 0.01 0.00 0.02 0.00 0.01 0.03 0.02 -0.01 -0.01 -0.02 0.01 0.05 0.02 0.01 0.03 0.00 0.02 -0.00 -0.00 0.01 -0.01 0.01 0.00 0.01 -0.02 0.01 -0.01 -0.00 -0.01 0.01 -0.04 -0.00 0.00 -0.02 -0.01 0.02 -0.03 0.01 -0.02 0.01 -0.01 0.02 -0.05 -0.01 0.00 -0.03 -0.02 0.03 -0.02 0.01 -0.02 -0.03 -0.01 -0.03 0.02 0.01 0.02 0.03 -0.01 -0.00 -0.00 0.00 -0.04 -0.00 0.02 -0.04 -0.00 0.02 -0.04 -0.00 0.03 -0.04 -0.01 -0.03 -0.04 -0.01 -0.04 -0.04 -0.01 -0.03 -0.04 -0.01 -0.02 -0.04 -0.01 -0.02 -0.04 -0.01 0.03 -0.04 -0.01 0.04 -0.04 -0.01 0.03 -0.04 -0.01 0.02 -0.04 -0.01 0.02 -0.04 -0.00 -0.04 -0.04 -0.00 -0.04 -0.04 -0.00 -0.02 -0.04 -0.00 -0.02 -0.04 -0.00 -0.03 -0.04 -0.00 0.04 -0.04 -0.00 0.04 -0.04 -0.00 0.00 -0.04 -0.00 -0.00 -0.04 -0.00 -0.04 -0.04 -0.00 0.03 -0.04 -0.01 -0.04 -0.04 -0.01 -0.06 -0.04 -0.01 0.04 -0.04 -0.01 0.05 -0.04 -0.00 -0.06 -0.04 -0.00 -0.04 -0.04 -0.00 0.06 -0.04 -0.00 0.05 -0.00 -0.00 0.00 0.05 0.00 0.00 0.06 0.00 0.00 0.18 0.01 0.00 0.19 0.01 0.00 0.26 0.02 0.00 0.01 0.00 0.00 0.23 0.02 0.00 0.25 0.02 0.00 0.37 0.03 0.01 -0.04 -0.00 0.01 -0.07 -0.00 0.00 -0.02 0.00 -0.00 -0.07 0.00 -0.03 -0.02 0.01 -0.03 -0.05 0.01 -0.04 -0.09 -0.00 0.01 -0.09 0.00 -0.04 -0.01 0.01 -0.04 -0.05 0.01 -0.06 -0.00 -0.00 0.00 0.06 0.00 0.00 0.05 0.00 0.00 0.20 0.01 -0.00 0.18 0.01 -0.00 0.26 0.02 -0.01 0.01 -0.00 0.00 0.25 0.02 -0.01 0.23 0.01 -0.01 0.37 0.03 -0.01 -0.04 -0.00 -0.02 -0.02 0.00 0.00 -0.07 -0.00 -0.00 -0.02 0.01 0.03 -0.07 0.00 0.03 -0.05 0.01 0.04 -0.09 -0.00 -0.02 -0.00 0.01 0.04 -0.10 0.00 0.04 -0.05 0.01 0.07 0.01 0.00 0.01 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.00 0.00 -0.04 -0.00 0.00 0.01 -0.04 0.03 0.01 -0.04 0.02 0.01 -0.04 0.02 0.00 -0.04 0.04 0.00 -0.04 0.04 0.00 -0.04 0.02 0.00 -0.04 0.02 0.00 -0.04 0.03 0.00 -0.04 -0.04 0.00 -0.04 -0.04 0.00 -0.04 -0.02 0.00 -0.04 -0.02 0.00 -0.04 -0.03 0.01 -0.04 -0.03 0.01 -0.04 -0.04 0.01 -0.04 -0.03 0.01 -0.04 -0.02 0.01 -0.04 -0.02 0.01 -0.04 0.03 0.01 -0.04 0.04 0.00 -0.04 0.03 0.00 -0.04 -0.04 0.00 -0.04 0.00 0.00 -0.04 -0.00 0.00 -0.04 0.06 0.00 -0.04 0.04 0.00 -0.04 -0.05 0.00 -0.04 -0.04 0.01 -0.04 -0.04 0.01 -0.04 -0.05 0.01 -0.04 0.04 0.01 -0.04 0.05 0.00 -0.04 -0.01 0.00 -0.07 -0.00 -0.00 -0.02 0.00 -0.00 -0.07 0.03 -0.01 -0.02 0.03 -0.01 -0.05 0.04 0.00 -0.09 -0.01 -0.00 -0.09 0.04 -0.01 -0.01 0.04 -0.01 -0.05 0.07 0.00 -0.00 -0.00 -0.00 0.05 0.00 -0.00 0.06 0.00 -0.01 0.18 0.00 -0.01 0.19 0.00 -0.02 0.26 0.01 0.00 0.01 -0.00 -0.02 0.23 0.00 -0.02 0.25 0.01 -0.03 0.37 0.01 0.00 -0.04 0.01 -0.00 -0.02 -0.00 0.00 -0.07 0.00 -0.01 -0.02 -0.03 -0.00 -0.07 -0.03 -0.01 -0.05 -0.04 0.00 -0.09 0.01 -0.01 -0.01 -0.04 -0.00 -0.09 -0.04 -0.01 -0.05 -0.06 0.00 -0.00 0.00 -0.00 0.06 -0.00 -0.00 0.05 0.00 -0.01 0.20 -0.00 -0.01 0.18 -0.00 -0.02 0.26 -0.01 0.00 0.01 0.00 -0.02 0.25 -0.01 -0.02 0.23 -0.00 -0.03 0.37 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.04 -0.00 -0.00 -0.01 -0.12 0.00 -0.00 -0.02 0.00 0.00 0.05 -0.00 -0.00 0.02 -0.01 -0.00 0.13 -0.01 -0.00 0.12 -0.00 -0.00 0.02 -0.00 -0.01 -0.05 -0.00 0.00 0.02 0.00 0.00 0.14 0.00 0.00 0.12 -0.00 0.00 0.02 -0.00 0.01 -0.04 -0.01 0.00 -0.02 -0.00 0.00 -0.14 -0.00 0.01 -0.12 -0.01 0.00 -0.02 -0.01 -0.00 0.04 0.00 0.00 -0.02 -0.00 -0.00 -0.13 0.00 -0.01 -0.14 -0.01 0.01 -0.14 -0.01 -0.00 0.14 0.01 0.00 0.14 -0.00 -0.01 -0.01 -0.01 -0.00 0.20 -0.00 0.01 -0.01 0.00 0.00 0.21 -0.01 -0.00 0.01 -0.00 0.01 -0.21 0.00 0.00 0.01 -0.00 -0.01 -0.20 -0.00 0.01 -0.11 0.01 -0.05 -0.07 -0.00 0.07 -0.06 0.03 -0.06 0.00 0.01 0.07 0.01 0.03 0.00 0.04 0.02 -0.10 -0.11 0.04 -0.11 0.03 0.01 0.12 0.05 0.04 0.00 0.10 0.01 0.00 0.11 -0.06 -0.01 0.07 0.07 0.01 0.06 -0.06 -0.02 -0.01 0.07 -0.00 -0.02 0.00 -0.02 -0.05 -0.11 -0.02 0.11 -0.12 -0.03 -0.03 0.12 0.00 -0.05 -0.00 -0.02 -0.11 0.00 -0.01 -0.11 0.01 -0.07 -0.06 -0.01 0.05 -0.07 0.01 -0.07 0.01 -0.01 0.06 0.00 -0.00 -0.00 0.04 -0.02 0.10 -0.11 0.02 -0.12 0.05 -0.02 0.11 0.03 -0.00 0.00 0.10 -0.01 -0.00 0.11 -0.07 -0.01 0.06 0.05 0.01 0.07 -0.07 -0.00 -0.01 0.05 0.02 -0.00 -0.01 0.01 -0.04 0.09 0.02 0.11 -0.12 -0.01 -0.04 0.11 0.03 -0.03 -0.00 0.02 -0.10 0.19 0.02 0.11 0.02 -0.18 -0.11 -0.18 -0.02 0.11 -0.02 0.18 -0.11 -0.00 0.00 0.00 0.06 0.03 0.00 0.03 0.03 0.00 0.02 0.06 0.01 0.08 -0.05 -0.01 0.06 -0.07 -0.00 0.03 -0.06 -0.00 0.03 -0.03 -0.00 0.06 -0.02 -0.01 -0.08 0.05 -0.01 -0.06 0.07 -0.00 -0.03 0.06 -0.00 -0.03 0.03 -0.00 -0.06 0.02 -0.01 -0.05 -0.08 0.01 -0.07 -0.06 0.00 -0.06 -0.03 0.00 -0.03 -0.03 0.00 -0.02 -0.06 0.01 0.05 0.08 0.01 0.07 0.06 0.00 0.08 0.01 -0.00 -0.08 -0.01 -0.00 0.01 -0.08 0.00 -0.01 0.08 0.00 0.10 -0.05 -0.00 0.06 -0.09 -0.00 -0.10 0.05 -0.00 -0.06 0.09 -0.00 -0.05 -0.10 0.00 -0.09 -0.06 0.00 0.05 0.10 0.00 0.09 0.06 0.00 -0.07 -0.01 -0.00 -0.08 -0.01 -0.00 0.02 0.00 0.00 0.03 0.00 0.00 0.14 0.01 0.00 0.15 0.01 0.00 -0.15 -0.01 -0.00 0.04 0.00 -0.00 0.22 0.01 0.00 0.25 0.02 0.00 -0.01 0.07 0.00 -0.01 0.08 0.00 0.00 -0.02 -0.00 0.00 -0.03 -0.00 0.01 -0.14 -0.00 0.01 -0.15 -0.00 -0.01 0.15 0.00 0.00 -0.04 0.00 0.01 -0.22 -0.00 0.02 -0.25 -0.00 0.07 0.01 -0.00 -0.02 -0.00 0.00 0.08 0.01 -0.00 -0.14 -0.01 0.00 -0.03 -0.00 -0.00 -0.15 -0.01 0.00 0.15 0.01 -0.00 -0.22 -0.01 0.00 -0.04 -0.00 -0.00 -0.25 -0.02 0.00 0.01 -0.07 0.00 -0.00 0.02 -0.00 0.01 -0.08 0.00 -0.01 0.14 -0.00 -0.00 0.03 -0.00 -0.01 0.15 -0.00 0.01 -0.15 0.00 -0.01 0.22 -0.00 -0.00 0.04 0.00 -0.02 0.25 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.05 0.09 -0.04 -0.04 0.13 -0.05 -0.01 0.09 -0.00 -0.02 0.04 0.02 0.00 0.05 0.05 -0.01 0.09 0.04 -0.04 0.13 0.02 -0.05 0.08 0.00 0.02 0.05 -0.02 -0.00 0.05 -0.05 0.01 0.09 -0.04 0.04 0.13 -0.01 0.05 0.09 0.02 -0.00 0.04 -0.00 0.02 0.04 0.01 0.05 0.09 0.04 0.04 0.13 0.05 0.01 0.08 -0.02 0.00 0.05 0.00 -0.02 0.05 0.01 -0.07 0.05 -0.00 0.08 0.05 0.08 0.01 0.05 -0.07 -0.01 0.05 -0.02 -0.02 0.01 0.02 0.02 0.02 0.02 0.02 0.02 -0.02 -0.02 0.02 0.02 -0.02 0.01 -0.02 0.02 0.01 -0.02 0.02 0.02 0.02 -0.02 0.02 -0.01 0.09 -0.02 -0.01 0.13 -0.04 -0.00 0.07 -0.04 -0.01 0.13 -0.07 -0.00 0.08 -0.06 -0.01 0.11 -0.08 -0.01 0.15 -0.02 -0.01 0.15 -0.08 -0.00 0.06 -0.08 -0.00 0.11 -0.11 -0.09 -0.01 -0.02 -0.13 -0.01 -0.04 -0.07 -0.00 -0.04 -0.13 -0.01 -0.07 -0.08 -0.00 -0.06 -0.11 -0.00 -0.08 -0.15 -0.01 -0.02 -0.15 -0.01 -0.08 -0.06 -0.00 -0.08 -0.11 -0.00 -0.11 0.01 -0.09 -0.02 0.00 -0.07 -0.04 0.01 -0.13 -0.04 0.00 -0.08 -0.06 0.01 -0.13 -0.07 0.00 -0.11 -0.08 0.01 -0.15 -0.02 0.00 -0.06 -0.08 0.01 -0.15 -0.08 0.00 -0.11 -0.11 0.09 0.01 -0.02 0.07 0.00 -0.04 0.13 0.01 -0.04 0.08 0.00 -0.06 0.13 0.01 -0.07 0.11 0.00 -0.08 0.15 0.01 -0.02 0.06 0.00 -0.08 0.15 0.01 -0.08 0.11 0.00 -0.11 -0.11 -0.01 -0.05 0.01 -0.11 -0.05 0.11 0.01 -0.05 -0.01 0.11 -0.05 0.00 0.00 0.18 -0.02 -0.02 -0.12 -0.02 -0.01 -0.06 -0.02 -0.02 -0.10 -0.02 -0.01 0.08 -0.02 -0.02 -0.01 -0.01 -0.02 -0.04 -0.02 -0.02 0.01 -0.02 -0.01 0.06 -0.02 -0.01 -0.08 -0.02 -0.02 0.01 -0.01 -0.02 0.04 -0.02 -0.01 -0.01 -0.02 -0.01 -0.06 -0.02 -0.02 0.25 -0.03 -0.02 0.27 -0.02 -0.01 0.12 -0.02 -0.01 0.06 -0.02 -0.02 0.10 -0.02 -0.02 -0.25 -0.03 -0.02 -0.26 -0.02 -0.01 0.01 -0.02 -0.01 -0.01 -0.01 -0.02 -0.02 -0.01 -0.02 0.02 -0.02 -0.01 0.12 -0.02 -0.02 -0.03 -0.02 -0.01 -0.12 -0.02 -0.02 0.03 -0.03 -0.03 0.34 -0.03 -0.02 0.36 -0.03 -0.03 -0.34 -0.03 -0.02 -0.36 -0.02 -0.01 -0.03 -0.04 -0.01 -0.03 0.01 0.00 -0.03 -0.02 -0.01 -0.02 0.04 0.00 -0.02 0.02 -0.00 -0.02 -0.07 -0.02 -0.03 -0.04 -0.02 -0.02 0.06 0.01 -0.01 0.04 -0.00 -0.01 -0.01 -0.02 0.04 -0.01 -0.03 0.04 0.00 0.01 0.04 -0.01 -0.02 0.03 -0.00 0.03 0.02 -0.01 0.02 0.02 -0.02 -0.06 0.04 -0.02 -0.04 0.02 0.00 0.05 0.02 -0.01 0.03 0.01 -0.02 -0.01 0.03 0.01 0.00 0.03 -0.04 -0.01 0.03 0.04 0.00 0.02 -0.02 -0.01 0.02 0.02 -0.00 0.01 -0.07 -0.02 0.03 0.06 0.01 0.01 -0.04 -0.02 0.02 0.04 -0.00 0.01 -0.01 -0.02 -0.04 0.00 0.01 -0.04 -0.01 -0.03 -0.04 -0.00 0.03 -0.02 -0.01 -0.02 -0.03 -0.01 0.02 -0.02 -0.02 -0.06 -0.04 0.00 0.05 -0.02 -0.02 -0.04 -0.02 -0.01 0.03 -0.01 0.06 0.00 0.07 -0.01 0.04 0.05 0.06 0.00 -0.07 -0.01 0.04 -0.05 -0.02 -0.02 0.00 -0.02 0.01 -0.04 -0.02 0.02 0.01 -0.01 0.02 0.06 -0.02 0.02 0.25 -0.02 0.03 0.27 -0.02 0.02 0.12 -0.01 0.02 0.06 -0.02 0.02 0.10 -0.02 0.02 -0.25 -0.02 0.03 -0.27 -0.02 0.02 -0.12 -0.01 0.02 -0.06 -0.02 0.02 -0.10 -0.01 0.02 -0.08 -0.02 0.02 0.01 -0.02 0.01 0.04 -0.02 0.02 -0.01 -0.01 0.02 -0.06 -0.01 0.02 0.08 -0.02 0.02 -0.01 -0.02 0.01 -0.02 -0.02 0.01 0.02 -0.01 0.02 -0.01 -0.01 0.02 0.01 -0.03 0.03 0.34 -0.02 0.03 0.36 -0.03 0.03 -0.34 -0.02 0.03 -0.36 -0.01 0.02 -0.12 -0.02 0.02 0.03 -0.01 0.02 0.12 -0.02 0.02 -0.03 -0.02 0.01 0.04 -0.03 0.01 0.04 0.01 -0.00 0.04 -0.02 0.01 0.03 0.03 0.00 0.02 0.02 0.01 0.02 -0.06 0.02 0.04 -0.04 0.02 0.02 0.05 -0.00 0.02 0.03 0.01 0.01 -0.01 0.02 0.03 -0.01 0.04 0.03 0.00 -0.01 0.03 -0.01 0.02 0.02 0.00 -0.04 0.02 -0.00 -0.02 0.02 -0.02 0.07 0.03 -0.02 0.04 0.02 0.01 -0.06 0.01 -0.00 -0.04 0.01 -0.02 0.01 -0.04 0.01 -0.00 -0.04 -0.03 0.01 -0.04 0.03 0.00 -0.02 -0.02 0.01 -0.03 0.02 0.01 -0.02 -0.06 0.02 -0.04 0.05 -0.00 -0.02 -0.04 0.02 -0.02 0.03 0.01 -0.01 -0.01 0.02 -0.03 0.00 -0.01 -0.03 -0.01 0.04 -0.03 0.00 -0.04 -0.02 -0.01 0.02 -0.02 -0.00 -0.02 -0.02 -0.02 0.07 -0.03 0.01 -0.06 -0.01 -0.02 0.04 -0.02 -0.00 -0.04 -0.01 0.04 0.01 0.05 0.00 -0.06 -0.07 0.04 0.01 -0.05 0.00 -0.06 0.07 -0.02 0.02 0.00 0.00 0.02 0.01 0.02 0.02 0.10 0.02 0.01 0.00 0.00 0.00 -0.14 -0.01 -0.01 -0.14 -0.02 0.00 0.01 -0.02 0.02 0.10 -0.01 0.02 0.00 -0.00 -0.00 -0.14 0.01 0.01 -0.14 0.02 -0.00 0.01 0.02 -0.02 0.10 0.01 -0.02 0.00 -0.00 0.00 -0.14 0.01 -0.01 -0.14 -0.00 -0.02 0.01 -0.02 -0.02 0.10 -0.02 -0.01 0.00 0.00 -0.00 -0.14 -0.01 0.01 -0.14 -0.00 0.04 -0.00 0.00 -0.04 -0.00 -0.04 -0.00 -0.00 0.04 0.00 -0.00 0.02 0.00 -0.26 -0.00 -0.02 -0.26 -0.02 -0.00 -0.26 0.00 0.02 -0.26 -0.00 0.02 -0.26 0.02 -0.00 -0.26 0.00 -0.02 -0.26 -0.02 0.00 -0.26 -0.00 -0.04 -0.01 -0.03 -0.07 -0.00 0.01 -0.03 -0.00 -0.02 -0.07 0.02 0.03 -0.03 0.02 0.02 -0.05 0.03 -0.05 -0.09 -0.02 -0.04 -0.09 0.03 0.05 -0.01 0.04 0.03 -0.05 0.05 0.04 -0.00 -0.01 0.07 -0.03 -0.00 0.03 0.01 -0.00 0.07 -0.02 0.02 0.03 0.03 0.02 0.05 0.02 0.03 0.09 -0.05 -0.02 0.09 -0.04 0.03 0.01 0.05 0.04 0.05 0.03 0.05 0.00 0.04 -0.01 -0.01 0.03 -0.00 0.03 0.07 -0.00 -0.03 0.03 0.02 0.02 0.07 0.02 -0.02 0.05 0.03 0.05 0.09 -0.02 -0.05 0.01 0.04 0.04 0.09 0.03 -0.03 0.05 0.05 -0.04 0.00 -0.01 -0.03 -0.01 -0.00 -0.07 0.03 -0.00 -0.03 -0.03 0.02 -0.07 0.02 0.02 -0.05 -0.02 0.03 -0.09 0.05 -0.02 -0.01 -0.05 0.04 -0.09 0.04 0.03 -0.05 -0.03 0.05 0.01 -0.01 -0.02 0.01 0.01 -0.02 -0.01 0.01 -0.02 -0.01 -0.01 -0.02 0.00 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.00 -0.02 0.00 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.02 -0.00 0.00 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 0.00 -0.02 0.00 0.00 -0.02 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.02 -0.00 0.00 -0.02 -0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.03 0.00 -0.00 -0.04 -0.00 -0.00 -0.03 -0.00 0.00 -0.04 -0.00 0.00 -0.03 0.00 0.00 -0.04 0.00 -0.00 -0.03 -0.00 -0.00 -0.04 0.03 -0.00 -0.00 0.15 0.00 0.00 -0.06 -0.01 -0.00 0.13 -0.00 0.01 -0.14 -0.02 -0.00 -0.05 -0.01 0.00 0.26 0.01 0.00 0.24 0.01 0.01 -0.24 -0.02 -0.00 -0.10 -0.02 0.00 0.00 0.03 -0.00 -0.00 0.14 0.00 0.01 -0.06 -0.00 0.00 0.12 0.01 0.01 -0.13 -0.00 0.01 -0.05 0.00 -0.01 0.25 0.00 -0.00 0.23 0.01 0.02 -0.23 -0.00 0.02 -0.10 0.00 -0.02 0.00 -0.00 0.06 0.01 -0.00 -0.14 0.00 0.00 0.13 0.01 -0.00 -0.12 0.00 0.01 0.05 0.01 0.00 -0.25 -0.00 0.00 0.22 0.02 -0.00 -0.22 -0.00 0.01 0.10 0.02 0.00 -0.01 -0.03 -0.00 -0.01 0.06 -0.00 -0.00 -0.15 0.00 -0.02 0.14 -0.00 -0.00 -0.13 0.01 -0.01 0.05 0.00 0.01 -0.26 0.00 -0.02 0.23 -0.00 0.00 -0.23 0.01 -0.02 0.10 0.01 -0.00 0.04 -0.00 -0.04 -0.00 -0.00 0.00 -0.04 -0.00 0.04 0.00 -0.00 -0.00 0.00 0.03 -0.01 0.00 -0.01 -0.02 0.00 0.01 -0.02 0.00 0.01 -0.01 -0.01 0.03 -0.01 -0.01 0.02 -0.02 -0.00 -0.00 -0.02 -0.01 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.03 -0.01 -0.01 -0.02 -0.02 -0.00 0.00 -0.02 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.02 -0.01 0.00 0.03 -0.01 0.00 0.01 -0.02 0.00 -0.01 -0.02 0.00 -0.01 -0.01 0.00 -0.02 -0.01 0.00 -0.03 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.02 -0.00 -0.02 -0.02 -0.00 0.02 -0.01 -0.01 0.06 -0.01 -0.01 0.04 -0.01 -0.00 -0.06 -0.01 -0.01 -0.04 -0.01 0.01 0.03 -0.01 0.00 0.06 -0.01 0.01 -0.03 -0.01 0.00 -0.06 0.03 0.00 0.00 0.20 0.02 0.00 -0.08 -0.01 -0.00 0.17 0.01 0.00 -0.18 -0.01 -0.01 -0.07 -0.00 -0.00 0.34 0.03 0.01 0.32 0.03 0.01 -0.31 -0.02 -0.01 -0.13 -0.01 -0.00 -0.02 -0.00 0.01 -0.04 -0.01 0.00 -0.02 0.00 0.01 -0.04 -0.01 -0.01 -0.02 0.00 -0.01 -0.03 -0.00 -0.02 -0.05 -0.01 0.01 -0.05 -0.01 -0.01 -0.01 0.01 -0.02 -0.03 0.00 -0.03 0.03 0.00 -0.00 -0.09 -0.01 0.00 0.20 0.02 -0.01 -0.19 -0.01 0.01 0.18 0.01 -0.00 -0.07 -0.00 0.00 0.35 0.03 -0.01 -0.32 -0.02 0.01 0.33 0.03 -0.01 -0.14 -0.01 0.01 -0.02 -0.00 -0.01 -0.02 -0.00 -0.01 -0.04 0.00 -0.00 -0.02 -0.00 0.01 -0.04 0.00 0.01 -0.03 -0.00 0.02 -0.05 0.00 -0.01 -0.01 -0.00 0.02 -0.05 0.00 0.01 -0.03 -0.00 0.03 -0.01 -0.00 0.01 0.06 0.00 -0.00 -0.01 0.00 -0.01 0.05 0.00 0.00 -0.02 -0.00 -0.00 0.00 -0.02 0.00 0.01 -0.02 0.01 0.01 -0.01 -0.01 -0.00 -0.01 -0.02 -0.00 -0.01 -0.03 -0.00 -0.01 -0.01 -0.00 -0.02 0.01 -0.00 -0.02 0.01 -0.00 -0.01 0.02 -0.00 -0.01 0.03 -0.00 -0.01 0.01 -0.00 -0.02 -0.01 -0.00 -0.02 -0.01 0.01 -0.01 0.03 0.01 -0.01 0.02 0.00 -0.02 -0.00 0.01 -0.02 -0.01 0.01 -0.01 0.01 0.01 -0.01 -0.03 0.01 -0.01 -0.02 0.00 -0.02 0.02 0.00 -0.02 -0.02 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.03 -0.00 -0.01 -0.06 -0.01 -0.01 0.03 -0.00 -0.01 0.06 0.00 -0.01 0.06 0.01 -0.01 0.03 0.01 -0.01 -0.06 0.01 -0.01 -0.04 0.00 -0.02 -0.01 0.01 -0.04 -0.00 0.00 -0.02 -0.01 0.00 -0.04 0.01 -0.00 -0.02 0.01 0.00 -0.03 0.02 0.01 -0.05 -0.01 0.01 -0.05 0.01 -0.00 -0.01 0.02 -0.00 -0.03 0.03 -0.00 0.03 0.00 -0.02 0.20 0.01 0.01 -0.09 -0.00 -0.01 0.18 0.00 0.01 -0.19 -0.01 0.00 -0.07 -0.00 -0.03 0.35 0.01 -0.03 0.33 0.01 0.02 -0.32 -0.01 0.01 -0.13 -0.00 0.00 -0.02 0.01 0.00 -0.02 0.01 0.00 -0.04 0.00 0.00 -0.02 -0.01 0.00 -0.04 -0.01 0.00 -0.03 -0.02 0.00 -0.05 0.01 0.00 -0.01 -0.02 0.00 -0.05 -0.01 0.00 -0.03 -0.03 -0.00 0.03 -0.00 0.01 -0.08 0.00 -0.02 0.20 -0.01 0.01 -0.19 0.01 -0.01 0.18 -0.00 0.00 -0.07 0.00 -0.03 0.34 -0.01 0.02 -0.32 0.01 -0.03 0.32 -0.01 0.01 -0.13 0.01 -0.00 0.06 0.00 0.00 -0.01 0.01 -0.00 0.05 -0.00 0.00 -0.01 -0.01 0.00 -0.02 0.00 -0.01 -0.04 -0.06 -0.03 -0.04 -0.03 -0.04 -0.01 -0.05 0.00 -0.02 -0.15 0.02 -0.00 -0.15 0.04 -0.01 -0.06 0.04 -0.03 -0.03 0.01 -0.04 -0.05 -0.00 0.02 -0.15 -0.02 0.00 -0.15 -0.04 0.01 -0.06 -0.04 0.03 -0.03 -0.01 0.04 -0.05 0.02 0.00 -0.15 0.00 0.02 -0.15 0.01 0.04 -0.06 0.03 0.04 -0.03 0.04 0.01 -0.05 -0.02 -0.00 -0.15 -0.00 -0.02 -0.15 0.00 -0.06 0.00 -0.01 0.06 0.00 0.06 0.01 0.00 -0.06 -0.00 0.00 -0.01 -0.02 -0.21 0.02 0.02 -0.22 0.01 0.02 -0.21 -0.02 -0.02 -0.22 0.02 -0.01 -0.21 -0.02 0.02 -0.22 -0.02 0.01 -0.21 0.02 -0.02 -0.22 -0.01 0.07 0.03 -0.01 0.10 0.02 -0.01 0.06 0.02 -0.01 0.10 -0.01 -0.01 0.06 -0.01 -0.01 0.09 -0.03 -0.01 0.12 0.04 -0.01 0.12 -0.02 -0.00 0.04 -0.03 -0.01 0.09 -0.04 -0.07 -0.01 0.03 -0.10 -0.00 0.02 -0.06 -0.01 0.02 -0.10 -0.00 -0.01 -0.06 -0.01 -0.01 -0.09 -0.01 -0.03 -0.12 -0.01 0.04 -0.12 -0.00 -0.02 -0.04 -0.01 -0.03 -0.09 -0.01 -0.04 0.01 -0.07 0.03 0.01 -0.06 0.02 0.00 -0.10 0.02 0.01 -0.06 -0.01 0.00 -0.10 -0.01 0.01 -0.09 -0.03 0.00 -0.12 0.04 0.01 -0.04 -0.03 0.00 -0.12 -0.02 0.01 -0.09 -0.04 0.07 0.01 0.03 0.06 0.01 0.02 0.10 0.00 0.02 0.06 0.01 -0.01 0.10 0.00 -0.01 0.09 0.01 -0.03 0.12 0.01 0.04 0.04 0.01 -0.03 0.12 0.00 -0.02 0.09 0.01 -0.04 0.02 0.00 0.07 -0.00 0.02 0.07 -0.02 -0.00 0.07 0.00 -0.02 0.07 0.00 0.00 -0.02 -0.05 -0.02 0.00 -0.02 -0.02 0.00 -0.01 -0.05 0.00 -0.06 0.04 0.01 -0.05 0.06 0.01 -0.02 0.05 -0.00 -0.02 0.02 -0.00 -0.05 0.01 -0.00 0.06 -0.04 0.01 0.05 -0.06 0.01 0.02 -0.05 -0.00 0.02 -0.02 -0.00 0.05 -0.01 -0.00 0.04 0.06 -0.01 0.06 0.05 -0.01 0.05 0.02 0.00 0.02 0.02 0.00 0.01 0.05 0.00 -0.04 -0.06 -0.01 -0.06 -0.05 -0.01 -0.05 -0.00 -0.00 0.05 0.00 -0.00 -0.00 0.05 0.00 0.00 -0.05 0.00 -0.08 0.04 0.02 -0.05 0.08 0.02 0.08 -0.04 0.02 0.05 -0.08 0.02 0.04 0.08 -0.02 0.08 0.05 -0.02 -0.04 -0.08 -0.02 -0.08 -0.05 -0.02 0.04 0.00 0.00 -0.10 -0.01 -0.00 0.09 0.01 0.00 -0.14 -0.01 -0.00 0.13 0.01 0.00 0.01 -0.00 0.00 -0.19 -0.02 -0.01 -0.28 -0.02 -0.01 0.20 0.02 0.01 0.01 -0.00 0.00 0.00 -0.04 -0.00 -0.01 0.10 0.00 0.01 -0.10 -0.00 -0.01 0.14 0.00 0.01 -0.13 -0.00 -0.00 -0.01 -0.00 -0.02 0.19 0.01 -0.02 0.28 0.01 0.02 -0.20 -0.01 -0.00 -0.01 -0.00 -0.04 -0.00 0.00 -0.09 -0.01 0.00 0.10 0.01 -0.00 -0.13 -0.01 0.00 0.14 0.01 -0.00 -0.01 0.00 0.00 0.19 0.02 -0.01 -0.20 -0.02 0.01 0.28 0.02 -0.01 -0.01 0.00 0.00 -0.00 0.04 -0.00 -0.01 0.09 -0.00 0.01 -0.10 0.00 -0.01 0.13 -0.00 0.01 -0.14 0.00 0.00 0.01 -0.00 0.02 -0.19 0.01 -0.02 0.20 -0.01 0.02 -0.28 0.01 0.00 0.01 -0.00 -0.00 0.04 0.00 0.04 0.00 -0.00 0.00 -0.04 0.00 -0.04 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.02 0.06 0.01 -0.01 -0.00 0.02 -0.00 -0.06 -0.01 -0.01 0.04 -0.01 -0.01 -0.04 -0.02 -0.01 -0.06 -0.01 -0.01 0.00 -0.00 -0.02 0.06 0.01 0.01 0.04 0.01 0.01 -0.04 0.02 0.01 -0.06 0.01 0.01 0.00 0.00 0.02 0.06 -0.01 0.01 -0.04 -0.01 0.01 0.04 -0.01 0.02 0.06 -0.01 0.01 0.00 -0.02 0.00 -0.06 0.01 -0.01 -0.04 0.01 -0.01 0.04 0.00 -0.03 0.09 -0.00 0.03 0.09 -0.03 -0.00 -0.09 0.03 0.00 -0.09 -0.01 -0.01 0.08 -0.01 -0.02 -0.08 0.01 0.01 0.08 0.01 0.02 -0.08 -0.01 0.01 -0.08 -0.02 0.01 0.08 0.01 -0.01 -0.08 0.02 -0.01 0.08 -0.00 0.06 0.04 -0.01 0.15 0.00 -0.00 0.04 0.01 -0.01 0.16 -0.06 0.00 0.04 -0.06 -0.01 0.11 -0.09 -0.02 0.20 0.04 -0.02 0.20 -0.08 0.01 -0.01 -0.09 -0.00 0.12 -0.15 0.06 0.00 -0.04 0.15 0.01 -0.00 0.04 0.00 -0.01 0.16 0.01 0.06 0.04 -0.00 0.06 0.11 0.01 0.09 0.20 0.02 -0.04 0.20 0.02 0.08 -0.01 -0.01 0.09 0.12 0.00 0.15 0.00 -0.06 0.04 0.00 -0.04 0.01 0.01 -0.15 0.00 -0.00 -0.04 -0.06 0.01 -0.16 -0.06 0.01 -0.11 -0.09 0.02 -0.20 0.04 -0.01 0.01 -0.09 0.02 -0.20 -0.08 0.00 -0.12 -0.15 -0.06 -0.00 -0.04 -0.04 -0.00 -0.01 -0.15 -0.01 -0.00 -0.04 0.00 0.06 -0.16 -0.01 0.06 -0.11 -0.01 0.09 -0.20 -0.02 -0.04 0.01 0.01 0.09 -0.20 -0.02 0.08 -0.12 -0.00 0.15 0.05 0.01 -0.02 0.01 -0.05 0.02 -0.05 -0.01 -0.02 -0.01 0.05 0.02 -0.00 -0.00 0.00 -0.07 0.01 0.03 -0.06 0.01 -0.08 -0.04 0.00 -0.11 -0.07 -0.02 -0.11 -0.07 -0.00 0.01 -0.04 -0.01 0.11 -0.05 -0.02 0.08 -0.07 -0.02 -0.03 -0.07 -0.02 0.11 -0.07 -0.00 -0.01 -0.04 -0.01 -0.11 -0.05 -0.02 -0.08 -0.07 -0.02 0.03 -0.06 -0.01 0.01 -0.07 0.01 -0.10 -0.07 0.01 -0.03 -0.05 0.01 0.08 -0.04 0.00 0.11 -0.06 -0.01 -0.01 -0.07 0.01 0.10 -0.06 -0.00 -0.00 -0.06 -0.00 0.00 -0.01 -0.00 0.15 -0.01 -0.00 -0.15 -0.08 -0.02 -0.21 -0.07 0.01 -0.00 -0.08 -0.02 0.21 -0.07 0.01 0.00 -0.06 -0.02 -0.00 -0.08 0.01 -0.21 -0.06 -0.02 0.00 -0.08 0.01 0.21 -0.05 -0.00 0.00 -0.00 0.00 0.00 -0.05 -0.00 -0.00 0.04 0.01 -0.00 -0.04 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.01 0.00 0.10 0.01 0.00 -0.05 -0.01 -0.00 0.04 0.01 -0.00 0.02 -0.00 -0.06 0.14 0.01 -0.01 -0.01 -0.00 -0.02 0.15 0.01 0.07 -0.00 -0.01 0.06 0.09 0.00 0.11 0.21 0.02 -0.06 0.20 0.02 0.10 -0.07 -0.01 0.11 0.10 0.00 0.18 -0.05 -0.00 -0.00 -0.05 -0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.00 0.00 0.04 0.01 0.00 0.01 0.00 0.00 0.01 0.01 -0.00 -0.05 -0.01 0.00 0.10 0.01 -0.00 0.04 0.01 0.00 0.02 -0.00 0.06 -0.01 -0.00 0.02 0.14 0.01 0.01 -0.00 -0.01 -0.06 0.15 0.01 -0.07 0.09 0.00 -0.11 0.21 0.02 0.06 -0.07 -0.01 -0.11 0.20 0.02 -0.10 0.10 0.00 -0.18 0.07 0.01 -0.00 0.01 0.00 -0.00 0.07 0.01 0.00 0.01 0.00 0.00 -0.07 -0.01 0.00 0.01 -0.04 -0.11 0.02 -0.05 -0.08 0.02 -0.07 0.03 0.01 -0.06 -0.01 -0.01 -0.07 0.10 -0.01 -0.07 0.03 -0.01 -0.06 -0.08 -0.00 -0.04 -0.11 0.01 -0.06 0.01 -0.01 -0.07 -0.10 -0.01 -0.07 -0.03 -0.01 -0.05 0.08 -0.00 -0.04 0.11 0.02 -0.07 -0.11 0.00 -0.07 0.01 0.01 -0.04 0.11 0.02 -0.05 0.08 0.02 -0.07 -0.03 0.02 -0.07 0.11 0.00 -0.07 -0.01 0.00 -0.01 -0.15 0.00 -0.01 0.15 0.00 -0.06 -0.00 0.00 -0.06 0.00 0.02 -0.06 0.00 -0.01 -0.08 0.21 0.02 -0.06 -0.00 -0.01 -0.08 -0.21 0.02 -0.08 -0.21 -0.01 -0.07 -0.00 0.02 -0.08 0.21 -0.01 -0.07 0.00 0.00 0.02 0.06 -0.01 0.14 0.01 0.00 -0.01 0.02 -0.01 0.15 -0.07 0.01 -0.00 -0.06 -0.00 0.09 -0.11 -0.02 0.21 0.06 -0.02 0.20 -0.10 0.01 -0.07 -0.11 -0.00 0.10 -0.18 0.00 -0.05 0.00 -0.00 -0.00 0.00 0.00 -0.05 -0.00 -0.01 0.04 -0.00 0.00 -0.04 -0.00 -0.00 0.01 -0.00 -0.01 0.01 0.00 -0.01 0.10 0.00 0.01 -0.05 -0.00 -0.01 0.04 -0.00 0.00 0.02 -0.06 0.00 -0.01 -0.02 -0.01 0.14 -0.01 0.01 -0.00 0.06 -0.01 0.15 0.07 -0.00 0.09 0.11 -0.02 0.21 -0.06 0.01 -0.07 0.11 -0.02 0.20 0.10 -0.00 0.10 0.18 0.00 -0.05 -0.00 0.00 -0.05 0.00 -0.00 -0.00 -0.00 0.00 -0.04 0.00 -0.01 0.04 0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 0.01 -0.05 0.00 -0.01 0.10 -0.00 -0.01 0.04 0.00 -0.00 0.01 0.00 -0.01 0.07 -0.00 -0.00 0.01 -0.00 -0.01 0.07 0.00 0.01 -0.07 -0.00 0.06 -0.01 0.04 0.03 -0.02 -0.11 0.02 -0.02 -0.15 0.07 -0.01 -0.10 0.05 -0.03 -0.01 0.01 -0.01 0.16 0.02 0.02 0.18 0.05 0.02 0.04 0.07 -0.01 0.10 0.05 -0.03 0.01 0.01 -0.01 -0.16 0.02 0.02 -0.18 0.05 0.02 -0.04 0.05 0.00 0.04 0.07 -0.00 -0.11 0.06 -0.01 -0.04 0.03 -0.02 0.11 0.02 -0.02 0.15 0.05 0.00 -0.04 0.07 -0.00 0.11 0.05 0.01 0.03 0.05 0.01 -0.03 -0.03 -0.01 0.13 -0.03 -0.01 -0.13 0.10 -0.01 -0.26 0.06 -0.05 -0.08 0.10 -0.01 0.26 0.06 -0.05 0.08 0.05 0.02 0.05 0.08 0.00 -0.24 0.05 0.02 -0.05 0.08 0.00 0.24 0.06 0.02 -0.01 0.03 0.02 -0.01 0.05 0.03 0.00 -0.02 0.02 -0.02 0.02 0.02 -0.01 -0.03 0.02 -0.02 0.03 0.03 -0.00 -0.07 0.02 -0.02 0.02 0.02 -0.02 -0.08 0.02 -0.02 -0.06 -0.02 -0.03 -0.09 -0.01 -0.04 -0.09 -0.02 0.00 -0.11 -0.00 -0.07 -0.09 -0.01 -0.05 -0.12 -0.00 -0.07 -0.13 -0.02 -0.01 -0.11 0.01 -0.07 -0.06 -0.01 -0.08 -0.12 0.01 -0.07 0.06 0.02 0.01 0.05 0.03 -0.00 0.03 0.02 0.01 0.02 0.02 0.01 -0.02 0.02 0.02 -0.03 0.02 0.02 0.03 0.03 0.00 0.02 0.02 0.02 -0.07 0.02 0.02 -0.08 0.02 0.02 -0.06 -0.02 0.03 -0.09 -0.02 -0.00 -0.09 -0.01 0.04 -0.09 -0.01 0.05 -0.11 -0.00 0.07 -0.12 -0.00 0.07 -0.13 -0.02 0.01 -0.06 -0.01 0.08 -0.11 0.01 0.07 -0.12 0.01 0.07 -0.01 -0.00 0.10 -0.01 0.00 -0.02 -0.01 -0.00 -0.10 -0.01 0.00 0.02 0.04 -0.00 -0.00 0.01 0.01 -0.16 -0.02 0.02 -0.18 -0.02 0.05 -0.04 -0.00 0.05 -0.05 0.00 0.07 0.11 0.01 0.06 0.04 0.02 0.03 -0.11 0.02 0.02 -0.16 -0.00 0.05 0.04 0.00 0.07 -0.11 0.01 0.06 -0.04 0.02 0.03 0.11 0.02 0.02 0.15 0.01 0.07 -0.10 0.03 0.05 -0.01 0.01 0.01 0.16 -0.02 0.02 0.18 -0.02 0.05 0.04 0.01 0.07 0.11 0.03 0.05 0.01 0.01 -0.03 -0.14 0.01 -0.03 0.13 -0.01 0.05 0.03 -0.01 0.05 -0.03 -0.02 0.05 -0.05 -0.00 0.08 0.24 -0.02 0.05 0.05 -0.00 0.08 -0.24 0.01 0.10 -0.26 0.05 0.06 -0.08 0.01 0.10 0.26 0.06 0.06 0.08 0.02 -0.05 0.03 0.01 -0.09 0.04 0.02 -0.09 -0.00 0.00 -0.10 0.07 0.01 -0.09 0.05 0.00 -0.12 0.07 0.02 -0.13 0.01 -0.01 -0.11 0.07 0.01 -0.06 0.07 -0.01 -0.12 0.07 -0.02 0.06 -0.01 -0.02 0.03 -0.01 -0.03 0.05 0.00 -0.02 -0.02 -0.02 -0.02 0.02 -0.01 -0.02 -0.03 -0.02 -0.03 0.03 -0.00 -0.02 -0.07 -0.02 -0.02 0.02 -0.02 -0.02 -0.08 -0.02 0.02 -0.06 -0.03 0.02 -0.09 0.00 0.01 -0.09 -0.04 0.01 -0.09 -0.05 0.00 -0.11 -0.07 0.00 -0.12 -0.07 0.02 -0.13 -0.01 0.01 -0.06 -0.08 -0.01 -0.11 -0.07 -0.01 -0.12 -0.06 -0.02 0.06 0.01 -0.03 0.05 -0.00 -0.02 0.03 0.01 -0.03 0.02 0.01 -0.02 -0.02 0.02 -0.03 -0.03 0.02 -0.03 0.03 0.00 -0.02 0.02 0.02 -0.02 -0.07 0.02 -0.02 -0.08 0.02 -0.00 -0.01 0.02 0.00 -0.01 0.10 -0.00 -0.01 -0.02 0.00 -0.01 -0.10 0.00 0.04 -0.00 0.01 -0.03 -0.14 0.02 -0.02 -0.00 0.03 -0.01 0.13 -0.01 -0.02 -0.11 -0.02 -0.01 0.10 -0.03 -0.01 0.14 -0.02 -0.02 0.00 -0.00 -0.03 -0.13 0.01 0.02 -0.11 0.02 0.01 0.11 0.03 0.01 0.14 0.02 0.02 0.00 0.00 0.03 -0.14 -0.02 0.01 0.11 -0.01 0.02 -0.11 -0.01 0.03 -0.14 -0.02 0.02 -0.00 -0.03 0.00 0.13 0.02 -0.01 0.11 0.01 -0.02 -0.11 0.00 -0.04 -0.16 -0.00 0.04 -0.16 -0.04 -0.00 0.16 0.04 0.00 0.16 -0.01 -0.02 -0.21 -0.02 -0.01 0.20 0.01 0.02 -0.21 0.02 0.01 0.20 -0.02 0.01 0.21 -0.01 0.02 -0.20 0.02 -0.01 0.20 0.01 -0.02 -0.20 -0.00 0.06 -0.06 -0.00 0.04 -0.05 -0.01 0.11 -0.02 -0.00 0.04 -0.03 -0.01 0.11 -0.02 -0.01 0.08 -0.01 -0.00 0.03 -0.05 0.00 0.02 -0.02 -0.01 0.11 -0.02 -0.01 0.08 0.03 0.06 0.00 0.06 0.04 0.00 0.05 0.10 0.01 0.02 0.04 0.00 0.03 0.11 0.01 0.02 0.08 0.01 0.01 0.03 0.00 0.05 0.02 -0.00 0.02 0.11 0.01 0.02 0.08 0.01 -0.03 0.00 -0.06 -0.06 0.01 -0.10 -0.02 0.00 -0.04 -0.05 0.01 -0.11 -0.02 0.00 -0.04 -0.03 0.01 -0.08 -0.01 0.00 -0.03 -0.05 0.01 -0.11 -0.02 -0.00 -0.01 -0.02 0.01 -0.08 0.03 -0.06 -0.00 0.06 -0.10 -0.01 0.02 -0.04 -0.00 0.05 -0.11 -0.01 0.02 -0.04 -0.00 0.03 -0.08 -0.01 0.01 -0.03 -0.00 0.05 -0.11 -0.01 0.02 -0.02 0.00 0.02 -0.08 -0.01 -0.03 -0.02 0.00 -0.09 0.00 0.02 0.09 0.02 -0.00 -0.09 -0.00 -0.02 0.09 -0.00 -0.00 -0.00 -0.15 0.10 -0.00 -0.14 0.12 -0.00 -0.12 0.13 0.00 -0.12 -0.15 0.00 -0.13 -0.14 -0.00 -0.10 -0.15 -0.00 -0.12 -0.14 -0.00 -0.13 -0.12 0.00 0.12 0.15 0.00 0.13 0.14 -0.00 0.10 0.15 -0.00 0.12 0.14 -0.00 0.13 0.12 0.00 0.15 -0.12 0.00 0.14 -0.13 -0.00 0.15 -0.10 -0.00 0.14 -0.12 -0.00 0.12 -0.13 0.00 -0.15 0.12 0.00 -0.14 0.13 -0.00 -0.08 -0.01 0.00 0.08 0.01 0.00 0.01 -0.08 0.00 -0.01 0.08 0.00 -0.11 -0.15 0.00 -0.13 -0.13 -0.00 0.11 0.15 0.00 0.13 0.13 -0.00 0.15 -0.11 0.00 0.13 -0.13 -0.00 -0.15 0.11 0.00 -0.13 0.13 -0.00 -0.02 -0.00 -0.00 -0.01 -0.00 -0.00 -0.02 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.02 0.00 0.00 -0.01 -0.00 -0.00 0.03 0.00 0.00 -0.00 -0.00 -0.00 0.04 0.00 0.00 0.00 -0.02 -0.00 0.00 -0.01 -0.00 0.00 -0.02 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.02 0.00 0.00 -0.01 -0.00 -0.00 0.03 0.00 0.00 -0.00 -0.00 -0.00 0.04 0.00 0.02 0.00 -0.00 0.02 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.02 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.00 0.00 -0.04 -0.00 0.00 -0.00 0.02 -0.00 -0.00 0.02 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.02 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 -0.04 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.05 0.00 0.04 -0.04 -0.03 0.04 -0.02 -0.03 -0.02 0.04 0.00 -0.01 0.05 -0.00 0.02 0.03 0.00 0.02 0.02 0.01 -0.02 0.03 0.00 -0.02 0.04 -0.00 -0.01 0.05 -0.00 0.02 0.03 -0.00 0.02 0.02 -0.01 -0.02 0.03 -0.00 0.02 -0.04 0.01 0.01 -0.04 -0.02 0.01 -0.05 -0.00 0.04 -0.04 0.03 0.04 -0.02 0.03 0.02 -0.04 -0.01 0.01 -0.04 0.02 -0.04 -0.00 0.01 -0.04 -0.00 -0.01 0.01 0.01 0.01 0.01 0.01 -0.01 -0.05 0.04 0.00 -0.01 0.08 0.00 -0.05 0.04 -0.00 -0.01 0.08 -0.00 0.02 -0.07 0.00 0.01 -0.05 -0.04 0.02 -0.07 -0.00 0.01 -0.05 0.04 -0.18 -0.01 -0.01 -0.18 -0.01 -0.01 -0.22 -0.01 -0.01 0.08 0.01 -0.00 -0.12 -0.01 -0.01 0.14 0.01 -0.00 -0.23 -0.01 -0.01 0.24 0.02 0.00 -0.12 -0.01 -0.01 0.36 0.03 0.00 -0.00 0.05 0.00 -0.01 0.05 -0.00 -0.00 0.06 0.00 -0.01 -0.02 -0.02 -0.00 0.03 -0.01 -0.01 -0.04 -0.02 -0.02 0.06 0.00 -0.01 -0.07 -0.02 0.01 0.03 -0.02 -0.00 -0.10 -0.03 -0.18 -0.01 0.01 -0.21 -0.01 0.01 -0.18 -0.01 0.01 -0.12 -0.01 0.01 0.08 0.01 0.00 0.14 0.01 0.00 -0.23 -0.01 0.01 -0.12 -0.01 0.01 0.24 0.02 -0.00 0.36 0.03 -0.01 -0.00 0.05 -0.00 -0.00 0.06 -0.00 -0.01 0.05 0.00 -0.00 0.03 0.01 -0.01 -0.02 0.02 -0.01 -0.04 0.02 -0.02 0.06 -0.00 0.01 0.03 0.02 -0.01 -0.07 0.02 -0.00 -0.10 0.03 -0.01 -0.01 0.01 0.02 0.00 -0.01 -0.01 -0.01 -0.01 0.02 0.00 0.01 0.14 -0.03 -0.00 -0.03 0.02 -0.00 -0.02 0.02 -0.01 -0.03 -0.02 -0.00 0.04 0.02 -0.01 0.04 0.01 0.02 0.05 0.01 0.00 0.04 0.04 -0.03 0.02 0.04 -0.03 0.04 0.02 0.01 0.04 0.01 -0.02 0.05 0.01 -0.00 0.04 0.04 0.03 0.02 0.04 0.03 -0.04 -0.02 0.00 -0.05 -0.01 0.00 -0.03 0.02 0.00 -0.02 0.02 0.01 -0.03 -0.02 0.00 -0.04 -0.03 -0.00 -0.05 -0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.01 0.01 0.00 -0.04 0.01 0.00 -0.04 -0.01 0.07 0.02 -0.00 0.05 0.01 0.04 0.07 0.02 0.00 0.05 0.01 -0.04 -0.04 -0.05 0.00 -0.08 -0.01 0.00 -0.04 -0.05 -0.00 -0.08 -0.01 -0.00 -0.05 -0.00 -0.00 -0.05 -0.01 0.00 -0.06 -0.00 -0.00 0.02 -0.01 0.02 -0.03 -0.00 0.01 0.04 -0.01 0.02 -0.06 -0.02 -0.00 0.07 -0.01 0.02 -0.03 0.01 0.02 0.10 -0.00 0.03 0.01 -0.18 -0.01 0.01 -0.18 -0.01 0.01 -0.22 -0.01 -0.01 0.08 -0.00 0.01 -0.12 -0.01 -0.01 0.14 -0.00 0.01 -0.23 -0.01 -0.02 0.24 0.00 0.01 -0.12 -0.01 -0.03 0.36 0.01 -0.05 -0.00 0.00 -0.06 -0.00 0.00 -0.05 -0.01 -0.00 -0.03 -0.00 -0.01 0.02 -0.01 -0.02 0.04 -0.01 -0.02 -0.06 -0.02 0.00 -0.03 0.01 -0.02 0.07 -0.01 -0.02 0.10 -0.00 -0.03 0.01 -0.18 0.01 0.01 -0.21 0.01 0.01 -0.18 0.01 0.01 -0.12 0.01 -0.01 0.08 0.00 -0.01 0.14 0.00 0.01 -0.23 0.01 0.01 -0.12 0.01 -0.02 0.24 -0.00 -0.03 0.36 -0.00 -0.00 0.02 0.01 0.01 -0.01 0.01 -0.00 0.02 -0.01 0.01 -0.01 -0.01 0.03 0.14 0.00 0.00 -0.01 -0.15 0.00 -0.00 -0.00 0.00 -0.00 0.15 -0.00 0.01 0.15 0.01 -0.00 -0.15 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.15 0.00 -0.01 0.15 -0.01 -0.00 -0.15 -0.01 -0.00 -0.15 -0.00 -0.00 -0.00 -0.00 -0.00 0.14 -0.01 -0.00 0.15 0.00 0.01 -0.15 -0.00 0.01 -0.15 -0.00 0.00 -0.00 -0.00 0.00 0.14 0.01 0.00 0.15 -0.00 -0.01 -0.15 0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.27 0.01 -0.00 -0.25 0.00 -0.01 0.27 -0.01 0.00 -0.25 -0.01 -0.00 0.27 0.00 0.01 -0.25 0.01 0.00 0.27 -0.00 -0.01 -0.25 -0.04 0.00 -0.01 -0.05 -0.01 -0.00 -0.05 0.00 -0.00 0.01 -0.00 0.00 -0.03 0.00 0.00 0.03 0.00 0.00 -0.07 -0.01 -0.01 0.04 -0.00 0.00 -0.03 0.01 0.00 0.09 0.01 0.01 -0.00 -0.04 -0.01 0.01 -0.05 -0.00 -0.00 -0.05 -0.00 0.00 0.01 0.00 -0.00 -0.03 0.00 -0.00 0.03 0.00 0.01 -0.07 -0.01 0.00 0.04 0.00 -0.01 -0.03 0.00 -0.01 0.09 0.01 0.04 -0.00 -0.01 0.05 -0.00 -0.00 0.05 0.01 -0.00 0.03 -0.00 0.00 -0.01 0.00 0.00 -0.03 -0.00 0.00 0.07 0.01 -0.01 0.03 -0.01 0.00 -0.05 0.00 0.00 -0.09 -0.01 0.01 0.00 0.04 -0.01 0.00 0.05 -0.00 -0.01 0.05 -0.00 0.00 0.03 0.00 -0.00 -0.01 0.00 0.00 -0.03 0.00 -0.01 0.07 -0.01 0.01 0.03 0.00 -0.00 -0.05 0.00 0.01 -0.09 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.03 -0.00 0.01 0.16 -0.00 0.01 0.18 -0.00 0.01 -0.15 -0.00 0.02 0.02 0.01 0.02 0.18 0.01 0.01 0.20 -0.00 -0.00 0.01 -0.00 0.01 0.15 -0.00 0.02 -0.01 0.01 0.02 -0.18 0.01 0.01 -0.20 -0.00 -0.00 -0.02 -0.00 0.01 -0.05 -0.01 0.00 0.16 -0.01 -0.00 0.03 -0.00 0.01 -0.16 -0.00 0.01 -0.18 -0.00 0.01 0.05 -0.01 0.00 -0.16 -0.00 -0.01 -0.06 -0.00 -0.01 0.06 0.00 0.01 -0.01 0.00 0.01 0.01 -0.01 0.00 -0.37 0.00 0.03 -0.08 -0.01 0.00 0.37 0.00 0.03 0.08 -0.01 0.01 -0.00 -0.01 -0.00 0.36 -0.01 0.01 0.00 -0.01 -0.00 -0.36 -0.01 -0.02 0.05 -0.01 0.01 0.04 -0.01 -0.06 0.02 0.00 0.01 0.01 -0.00 -0.06 0.00 0.01 -0.02 -0.01 -0.02 0.02 0.05 0.01 0.04 -0.00 -0.00 -0.08 -0.01 0.02 -0.02 -0.05 0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.03 -0.00 0.01 0.03 -0.00 0.00 0.00 -0.01 -0.01 -0.02 -0.05 -0.01 -0.06 -0.02 -0.01 0.01 -0.04 -0.00 -0.06 -0.00 0.00 0.01 -0.01 0.01 -0.02 0.01 -0.02 0.02 -0.05 -0.00 -0.08 0.01 0.01 0.04 0.00 0.02 -0.02 0.05 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.03 0.00 -0.00 -0.03 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 0.03 -0.00 -0.00 0.00 0.00 0.01 -0.03 0.01 0.01 0.00 -0.02 0.01 -0.18 -0.01 0.01 -0.20 0.00 -0.00 -0.01 -0.01 -0.00 0.05 -0.00 -0.01 -0.16 0.01 -0.01 -0.03 -0.00 -0.00 0.16 -0.01 -0.00 0.18 -0.01 -0.00 -0.05 -0.00 -0.01 0.16 0.00 -0.01 0.03 -0.01 -0.00 -0.16 -0.01 -0.00 -0.18 -0.01 -0.00 -0.15 -0.02 -0.00 0.02 -0.02 0.01 0.18 -0.01 0.01 0.20 0.00 -0.00 0.01 -0.01 -0.00 0.15 -0.02 -0.00 -0.02 -0.01 0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.06 0.01 -0.00 0.06 -0.01 -0.01 0.00 0.00 -0.01 -0.36 -0.01 -0.01 -0.00 0.00 -0.01 0.36 0.00 -0.01 -0.37 -0.03 0.00 -0.08 -0.00 -0.01 0.37 -0.03 0.00 0.08 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.03 -0.00 0.00 -0.03 0.01 0.00 -0.00 0.00 0.01 0.02 -0.01 0.05 -0.01 -0.01 0.04 0.06 -0.01 0.02 -0.01 0.00 0.01 0.06 -0.00 0.00 0.02 0.01 -0.01 -0.02 -0.02 0.05 -0.04 0.01 -0.00 0.08 -0.00 -0.01 0.02 0.02 -0.05 -0.00 0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.03 0.01 -0.00 0.03 -0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.01 -0.05 0.06 -0.01 -0.02 -0.01 -0.01 -0.04 0.06 -0.00 -0.00 -0.01 0.00 -0.01 0.02 0.01 0.01 -0.03 -0.02 -0.05 0.08 -0.00 0.01 -0.04 0.01 0.00 0.02 0.02 0.05 -0.01 0.00 -0.03 0.00 -0.00 -0.00 -0.01 0.00 0.03 0.00 -0.00 0.00 -0.01 0.01 0.00 0.01 -0.00 0.04 -0.00 -0.01 -0.00 -0.01 -0.02 -0.05 0.01 0.00 -0.04 0.01 0.01 0.06 0.00 0.01 0.04 0.01 -0.00 -0.00 0.02 -0.01 -0.05 -0.01 -0.00 -0.04 -0.01 -0.01 0.06 -0.00 -0.01 0.04 -0.01 0.00 -0.00 -0.02 0.01 -0.05 -0.00 0.01 -0.04 -0.01 0.01 0.06 -0.01 0.00 0.04 0.00 0.01 -0.00 0.01 0.02 -0.05 0.00 -0.01 -0.04 0.01 -0.01 0.06 0.03 -0.01 -0.02 -0.03 0.01 -0.02 0.01 0.03 -0.02 -0.01 -0.03 -0.02 0.01 0.00 -0.06 0.00 0.02 0.10 -0.01 -0.00 -0.07 -0.00 -0.02 0.10 -0.00 0.01 -0.07 -0.02 0.00 0.10 0.00 -0.01 -0.06 0.02 -0.00 0.10 -0.12 0.00 -0.02 -0.14 -0.01 -0.01 -0.16 0.01 -0.01 0.05 -0.00 0.01 -0.09 0.01 0.00 0.10 0.01 0.02 -0.18 -0.03 -0.02 0.17 -0.00 0.02 -0.09 0.02 0.01 0.27 0.02 0.03 -0.00 -0.12 -0.02 0.01 -0.14 -0.01 -0.01 -0.16 -0.01 0.00 0.05 0.01 -0.01 -0.09 0.00 -0.01 0.10 0.02 0.03 -0.18 -0.02 0.00 0.17 0.02 -0.02 -0.09 0.01 -0.02 0.27 0.03 0.12 -0.00 -0.02 0.16 -0.01 -0.01 0.14 0.01 -0.01 0.09 -0.01 0.00 -0.05 0.00 0.01 -0.10 -0.01 0.02 0.18 0.03 -0.02 0.09 -0.02 0.01 -0.17 0.00 0.02 -0.27 -0.02 0.03 0.00 0.12 -0.02 0.01 0.16 -0.01 -0.01 0.14 -0.01 0.01 0.09 0.00 -0.00 -0.05 0.01 0.01 -0.10 0.02 -0.03 0.18 -0.02 0.02 0.09 0.01 -0.00 -0.17 0.02 0.02 -0.27 0.03 0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.02 -0.01 -0.06 -0.04 -0.04 -0.05 -0.02 -0.05 -0.01 -0.04 -0.00 -0.02 0.05 0.02 0.00 0.05 0.06 -0.01 -0.04 0.05 -0.04 -0.02 0.01 -0.05 -0.04 0.01 0.02 0.05 -0.02 -0.00 0.05 -0.06 0.01 -0.04 -0.05 0.04 -0.02 -0.01 0.05 -0.04 0.02 -0.01 0.05 -0.00 0.02 0.05 0.01 0.06 -0.04 0.04 0.05 -0.02 0.05 0.01 -0.04 -0.02 0.00 0.05 0.00 -0.02 0.05 -0.00 -0.07 -0.11 0.00 0.07 -0.11 0.07 -0.00 -0.11 -0.07 0.00 -0.11 -0.03 -0.02 0.11 0.01 0.03 0.11 0.03 0.02 0.11 -0.01 -0.03 0.11 0.02 -0.03 0.11 -0.03 0.01 0.11 -0.02 0.03 0.11 0.03 -0.01 0.11 0.02 0.07 -0.08 0.04 -0.03 -0.04 0.03 0.11 -0.05 -0.01 -0.04 0.05 0.01 0.11 0.04 -0.03 0.02 0.10 0.05 -0.10 -0.09 -0.03 -0.11 0.08 0.01 0.19 0.09 -0.07 0.01 0.17 -0.07 0.02 -0.08 0.03 0.04 -0.04 -0.11 0.03 -0.05 0.04 -0.01 0.05 -0.11 0.01 0.04 -0.02 -0.03 0.10 0.10 0.05 -0.09 0.11 -0.03 0.08 -0.19 0.01 0.09 -0.01 -0.07 0.17 -0.02 -0.07 -0.08 -0.03 -0.11 -0.05 -0.04 0.03 -0.04 -0.01 -0.11 0.04 0.01 0.04 0.05 0.03 -0.02 0.10 -0.05 0.10 -0.09 -0.01 -0.19 0.09 0.03 0.11 0.08 0.07 -0.01 0.17 0.07 -0.02 -0.08 0.11 -0.03 -0.05 -0.03 -0.04 -0.04 0.11 -0.01 0.04 -0.04 0.01 0.05 0.02 0.03 0.10 -0.10 -0.05 -0.09 0.19 -0.00 0.09 -0.11 0.03 0.08 0.01 0.07 0.17 0.05 0.00 -0.01 -0.00 0.05 -0.01 -0.05 -0.00 -0.01 0.00 -0.05 -0.01 0.00 0.00 0.10 0.00 0.00 0.13 0.01 0.01 0.24 0.00 0.00 0.13 0.00 0.00 0.07 -0.00 -0.00 0.07 0.00 -0.00 -0.13 0.01 -0.01 -0.24 0.00 -0.00 -0.13 -0.00 -0.00 0.07 0.00 0.00 0.07 -0.00 0.00 -0.13 -0.01 0.01 -0.24 -0.00 0.00 -0.13 0.00 -0.00 -0.07 -0.00 0.00 -0.07 -0.00 -0.00 0.13 -0.01 -0.01 0.24 -0.00 -0.00 0.13 -0.00 0.00 -0.07 0.00 -0.00 -0.07 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.27 -0.01 0.00 0.27 0.00 -0.01 0.27 0.01 -0.00 0.27 0.01 0.00 -0.27 0.00 0.01 -0.27 -0.01 -0.00 -0.27 -0.00 -0.01 -0.27 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.02 0.00 0.00 -0.03 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.02 -0.00 -0.00 0.03 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.03 0.00 -0.00 -0.02 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.03 0.00 -0.00 0.02 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.05 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.05 -0.00 0.07 -0.03 -0.00 0.04 -0.07 0.00 -0.00 -0.05 0.00 0.00 -0.00 0.00 0.04 0.01 0.00 -0.08 0.03 0.00 -0.04 0.07 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 -0.05 -0.01 0.00 -0.03 -0.08 -0.00 -0.07 -0.04 -0.00 -0.05 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.05 -0.00 0.03 0.07 -0.00 0.07 0.04 -0.00 0.04 0.00 -0.00 -0.04 -0.00 -0.00 0.00 -0.04 0.00 -0.00 0.04 0.00 0.10 -0.03 -0.00 0.05 -0.10 0.00 -0.11 0.03 -0.00 -0.05 0.11 0.00 -0.03 -0.11 0.00 -0.11 -0.05 -0.00 0.03 0.10 0.00 0.10 0.05 -0.00 0.08 0.01 0.00 0.14 0.01 0.00 0.13 0.01 0.00 -0.03 -0.00 -0.00 0.09 0.01 0.00 -0.10 -0.01 -0.00 0.21 0.02 0.01 -0.13 -0.01 -0.00 0.10 0.01 0.00 -0.28 -0.02 -0.01 0.01 -0.08 -0.00 0.01 -0.14 -0.00 0.01 -0.13 -0.00 -0.00 0.03 0.00 0.01 -0.09 -0.00 -0.01 0.10 0.00 0.01 -0.20 -0.01 -0.01 0.12 0.00 0.01 -0.10 -0.00 -0.02 0.27 0.01 -0.08 -0.01 0.00 -0.13 -0.01 0.00 -0.14 -0.01 0.00 -0.09 -0.01 0.00 0.03 0.00 -0.00 0.10 0.01 -0.00 -0.20 -0.01 0.01 -0.10 -0.01 0.00 0.12 0.01 -0.00 0.27 0.02 -0.01 -0.01 0.08 -0.00 -0.01 0.13 -0.00 -0.01 0.14 -0.00 -0.01 0.09 -0.00 0.00 -0.03 0.00 0.01 -0.10 0.00 -0.01 0.20 -0.01 -0.01 0.10 -0.00 0.01 -0.12 0.00 0.02 -0.27 0.01 -0.00 0.01 0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.10 0.04 0.01 0.03 0.04 -0.00 0.05 -0.08 -0.00 -0.08 -0.08 -0.01 -0.08 -0.07 0.01 -0.04 -0.08 0.01 -0.04 -0.05 -0.00 -0.09 -0.05 -0.01 -0.07 -0.08 0.01 -0.07 -0.08 -0.01 -0.04 -0.09 -0.01 -0.04 -0.05 0.00 -0.08 -0.05 0.01 -0.05 -0.15 0.00 -0.15 -0.06 -0.01 -0.10 0.04 -0.01 0.03 0.04 0.00 0.05 -0.08 0.00 -0.05 -0.15 -0.00 -0.15 -0.06 0.01 -0.07 0.00 -0.00 -0.07 0.00 0.00 0.01 -0.06 0.00 0.01 -0.06 -0.00 -0.06 -0.08 -0.01 -0.08 -0.05 0.02 -0.06 -0.08 0.01 -0.08 -0.05 -0.02 -0.05 -0.25 0.01 -0.25 -0.08 -0.01 -0.05 -0.25 -0.01 -0.25 -0.08 0.01 0.05 0.01 0.00 0.09 0.01 0.01 0.08 0.01 0.00 -0.02 -0.00 0.01 0.06 0.01 0.01 -0.07 -0.00 0.01 0.13 0.01 0.00 -0.08 -0.01 0.01 0.06 0.01 0.01 -0.18 -0.01 0.01 0.00 0.05 0.00 -0.00 0.09 -0.00 0.00 0.09 0.00 0.00 -0.02 -0.01 0.00 0.06 -0.01 0.01 -0.07 -0.01 -0.01 0.13 0.00 0.00 -0.08 -0.01 0.01 0.07 -0.01 0.02 -0.18 -0.02 0.05 0.01 -0.00 0.09 0.01 -0.00 0.09 0.01 -0.01 0.06 0.01 -0.01 -0.02 -0.00 -0.01 -0.07 -0.00 -0.01 0.14 0.01 -0.00 0.07 0.01 -0.01 -0.08 -0.01 -0.01 -0.19 -0.01 -0.00 0.00 0.04 -0.00 0.00 0.08 -0.00 -0.00 0.09 0.00 0.00 0.06 0.01 0.00 -0.02 0.01 0.01 -0.06 0.01 -0.01 0.12 -0.00 0.01 0.06 0.01 0.00 -0.08 0.01 0.02 -0.17 0.02 -0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.20 0.21 0.00 -0.09 0.04 0.01 -0.05 0.04 -0.00 -0.05 0.08 -0.01 -0.15 0.05 0.00 -0.06 0.15 -0.01 0.04 0.10 -0.01 0.04 -0.03 0.00 -0.08 -0.05 0.00 -0.15 0.05 -0.00 -0.06 0.15 0.01 0.04 0.10 0.01 0.04 -0.03 -0.00 -0.08 -0.05 -0.00 -0.08 0.08 0.01 -0.07 0.08 -0.01 -0.08 0.04 -0.01 -0.05 0.04 0.00 -0.06 0.09 0.01 -0.08 0.07 -0.01 -0.08 0.07 0.01 -0.06 -0.01 0.00 -0.06 -0.01 -0.00 0.00 0.07 0.00 0.00 0.07 -0.00 -0.25 0.05 0.01 -0.08 0.25 -0.01 -0.25 0.05 -0.01 -0.08 0.25 0.01 -0.08 0.06 0.01 -0.05 0.08 -0.02 -0.08 0.06 -0.01 -0.05 0.08 0.02 0.04 -0.00 0.00 0.09 0.00 -0.00 0.08 -0.00 0.00 -0.02 -0.00 -0.01 0.05 -0.00 -0.01 -0.06 -0.01 -0.01 0.12 0.01 0.00 -0.07 -0.00 -0.01 0.06 -0.01 -0.01 -0.17 -0.02 -0.02 0.01 -0.05 -0.00 0.01 -0.09 -0.01 0.01 -0.08 -0.00 -0.00 0.02 -0.01 0.01 -0.06 -0.01 -0.00 0.07 -0.01 0.01 -0.13 -0.00 -0.01 0.08 -0.01 0.01 -0.06 -0.01 -0.01 0.18 -0.00 0.05 -0.00 -0.00 0.09 -0.00 -0.00 0.09 0.00 0.00 0.06 -0.00 0.01 -0.02 -0.00 0.01 -0.07 -0.01 0.01 0.13 0.01 -0.00 0.07 -0.01 0.01 -0.08 -0.00 0.01 -0.18 -0.02 0.02 0.01 -0.05 0.00 0.01 -0.09 0.00 0.01 -0.10 0.01 0.01 -0.06 0.01 -0.00 0.02 0.01 -0.00 0.07 0.01 0.01 -0.14 0.00 0.01 -0.07 0.01 -0.01 0.08 0.01 -0.01 0.19 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.21 -0.20 0.00 0.01 0.05 -0.08 0.04 0.05 -0.08 0.05 0.02 -0.09 -0.01 0.03 0.06 -0.03 0.00 0.06 -0.05 0.01 -0.08 -0.05 0.04 -0.08 -0.02 0.05 -0.09 0.01 -0.03 0.06 0.03 -0.00 0.06 0.05 -0.01 -0.08 0.05 -0.04 -0.08 0.02 -0.05 -0.09 -0.03 -0.01 0.06 -0.00 -0.03 0.06 -0.01 -0.05 -0.08 -0.04 -0.05 -0.08 -0.05 -0.02 -0.09 0.03 0.01 0.06 0.00 0.03 0.06 -0.01 0.06 -0.14 0.01 -0.06 -0.14 -0.06 -0.01 -0.14 0.06 0.01 -0.14 0.01 0.03 0.16 -0.03 -0.02 0.16 -0.01 -0.03 0.16 0.03 0.02 0.16 -0.03 0.01 0.16 0.02 -0.03 0.16 0.03 -0.01 0.16 -0.02 0.03 0.16 0.01 -0.05 -0.08 0.01 -0.04 -0.10 0.00 -0.01 -0.03 0.01 -0.04 -0.13 0.00 -0.01 -0.10 0.00 -0.01 -0.11 0.01 -0.01 -0.08 0.01 -0.04 -0.13 0.01 -0.05 -0.13 -0.00 -0.01 -0.09 0.05 0.01 -0.08 0.05 0.01 -0.10 0.01 0.00 -0.03 0.04 0.01 -0.13 0.01 0.00 -0.10 0.01 0.00 -0.11 0.01 0.01 -0.08 0.04 0.01 -0.13 0.05 0.01 -0.13 0.01 -0.00 -0.09 -0.01 0.05 -0.08 -0.00 0.01 -0.03 -0.01 0.05 -0.10 -0.00 0.01 -0.10 -0.01 0.04 -0.13 -0.00 0.01 -0.11 -0.01 0.01 -0.08 -0.01 0.05 -0.13 -0.01 0.04 -0.13 0.00 0.01 -0.09 -0.05 -0.01 -0.08 -0.01 -0.00 -0.03 -0.05 -0.01 -0.10 -0.01 -0.00 -0.10 -0.04 -0.01 -0.13 -0.01 -0.00 -0.11 -0.01 -0.01 -0.08 -0.05 -0.01 -0.13 -0.04 -0.01 -0.13 -0.01 0.00 -0.09 -0.04 -0.01 0.10 0.01 -0.04 0.10 0.04 0.01 0.10 -0.01 0.04 0.10 -0.00 -0.00 0.16 0.03 -0.05 0.03 0.05 -0.04 -0.00 0.06 -0.02 -0.03 -0.04 -0.05 0.03 -0.04 -0.05 -0.03 -0.05 -0.03 -0.03 -0.04 -0.05 0.00 -0.02 -0.06 0.03 0.04 0.05 0.03 0.04 0.05 -0.03 0.06 0.03 -0.03 0.04 0.05 0.00 0.02 0.06 0.03 -0.05 0.04 -0.03 -0.05 0.04 0.03 -0.03 0.06 0.03 -0.05 0.04 -0.00 -0.06 0.02 -0.03 0.05 -0.04 -0.03 0.05 -0.04 0.03 0.00 -0.06 0.01 -0.01 0.06 0.01 -0.06 -0.00 -0.01 0.06 0.01 -0.01 -0.05 -0.05 0.05 -0.04 -0.06 -0.05 0.05 0.05 0.05 0.04 0.06 -0.05 -0.05 0.05 -0.05 -0.06 0.04 0.05 0.05 -0.05 -0.05 0.06 -0.04 0.05 -0.01 0.09 -0.01 -0.00 0.05 0.02 -0.01 0.11 -0.01 -0.01 0.05 0.11 -0.01 0.13 0.09 -0.01 0.08 0.13 0.00 0.00 -0.02 -0.00 -0.00 0.14 -0.02 0.20 0.14 -0.01 0.08 0.17 0.09 0.01 0.01 0.06 0.00 -0.02 0.12 0.01 0.01 0.05 0.01 -0.11 0.13 0.01 -0.09 0.08 0.01 -0.14 0.00 -0.00 0.02 -0.01 0.00 -0.14 0.20 0.02 -0.14 0.08 0.01 -0.17 0.01 -0.09 -0.01 0.01 -0.12 -0.01 0.00 -0.06 0.02 0.01 -0.13 0.09 0.01 -0.05 0.11 0.01 -0.08 0.14 -0.00 -0.00 -0.02 0.02 -0.20 0.14 0.00 0.00 0.14 0.01 -0.08 0.17 -0.09 -0.01 0.01 -0.11 -0.01 0.01 -0.05 -0.00 -0.02 -0.13 -0.01 -0.09 -0.05 -0.01 -0.11 -0.08 -0.01 -0.13 -0.00 0.00 0.02 -0.20 -0.02 -0.14 0.00 -0.00 -0.13 -0.08 -0.01 -0.16 -0.05 -0.01 0.06 -0.01 0.05 -0.06 0.05 0.01 0.06 0.01 -0.05 -0.06 -0.00 0.00 -0.00 -0.03 0.04 0.04 -0.01 0.05 -0.01 0.02 0.02 -0.04 -0.04 -0.03 -0.03 -0.02 0.01 0.05 0.03 -0.01 0.04 0.01 -0.05 0.01 -0.02 -0.05 -0.04 -0.04 -0.03 0.03 -0.02 0.01 -0.05 0.03 -0.01 -0.03 0.01 -0.05 -0.01 -0.02 -0.05 0.04 -0.02 -0.00 0.05 -0.05 0.03 -0.04 -0.03 0.04 -0.04 -0.01 0.05 0.01 0.02 0.02 0.04 -0.03 -0.00 -0.05 -0.05 0.03 0.04 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.09 0.01 -0.02 0.09 0.01 0.02 -0.07 -0.03 -0.04 -0.03 0.04 0.09 -0.07 -0.03 0.04 -0.03 0.04 -0.09 -0.03 -0.03 0.09 -0.07 0.02 -0.06 -0.03 -0.03 -0.09 -0.07 0.02 0.05 -0.00 -0.01 0.00 -0.02 -0.01 -0.00 -0.02 -0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.02 -0.01 -0.01 -0.04 -0.00 0.00 0.01 0.00 -0.01 -0.02 -0.02 -0.01 0.04 -0.01 -0.02 0.13 0.01 0.05 0.06 0.00 0.01 0.18 0.01 0.03 0.05 0.01 -0.13 0.20 0.02 -0.11 0.12 0.01 -0.18 -0.01 -0.00 0.06 -0.03 0.00 -0.17 0.30 0.03 -0.18 0.12 0.01 -0.24 -0.00 -0.01 -0.00 -0.02 -0.01 -0.00 -0.02 -0.01 0.00 -0.01 -0.01 0.01 0.00 -0.00 0.01 0.02 -0.01 0.01 -0.04 -0.00 -0.00 -0.02 -0.02 0.01 0.01 0.00 0.01 0.04 -0.00 0.01 0.13 0.01 -0.05 0.18 0.01 -0.03 0.06 0.00 -0.01 0.20 0.02 0.11 0.05 0.01 0.13 0.12 0.01 0.18 -0.01 -0.00 -0.06 0.30 0.03 0.18 -0.03 0.00 0.17 0.12 0.01 0.24 -0.07 -0.01 0.07 -0.00 0.00 -0.00 -0.07 -0.01 -0.07 -0.00 0.01 0.01 -0.08 -0.00 -0.00 0.01 0.03 -0.04 0.05 0.01 -0.01 0.05 -0.02 0.04 0.00 -0.03 -0.05 -0.03 -0.05 0.04 -0.04 -0.03 0.04 -0.05 -0.01 -0.01 -0.02 0.02 -0.04 0.00 -0.02 0.05 -0.03 -0.05 -0.04 -0.04 -0.03 -0.04 -0.05 -0.01 0.01 -0.02 0.02 0.04 0.03 -0.04 -0.03 -0.01 -0.02 0.05 0.01 0.03 0.04 0.05 0.01 0.01 0.05 -0.02 -0.04 0.03 -0.04 0.03 -0.01 -0.02 -0.05 -0.01 0.09 0.02 -0.01 0.09 -0.02 0.01 -0.01 -0.00 0.01 -0.01 0.00 0.03 -0.03 -0.09 -0.02 -0.07 0.06 0.03 -0.03 0.09 -0.02 -0.07 -0.06 0.03 -0.07 -0.04 -0.04 -0.03 0.09 0.03 -0.07 0.04 -0.04 -0.03 -0.09 -0.01 0.13 -0.05 -0.00 0.06 -0.01 -0.01 0.18 -0.03 -0.01 0.05 0.13 -0.02 0.20 0.11 -0.01 0.12 0.18 0.00 -0.01 -0.06 -0.00 -0.03 0.17 -0.03 0.30 0.18 -0.01 0.12 0.24 0.01 -0.00 0.00 0.01 -0.02 -0.00 0.01 -0.02 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 0.01 0.02 -0.01 0.00 -0.04 0.00 -0.00 0.01 -0.01 0.02 -0.02 -0.01 0.00 0.04 -0.02 -0.01 0.13 0.05 -0.01 0.18 0.03 -0.00 0.06 0.01 -0.02 0.20 -0.11 -0.01 0.05 -0.13 -0.01 0.12 -0.18 0.00 -0.01 0.06 -0.03 0.30 -0.18 -0.00 -0.03 -0.17 -0.01 0.12 -0.24 0.01 -0.00 -0.00 0.01 -0.02 -0.00 0.01 -0.02 0.00 0.01 -0.01 0.01 0.00 0.00 0.01 0.01 0.02 0.01 0.00 -0.04 -0.00 0.02 -0.02 0.01 -0.00 0.01 0.01 0.00 0.04 0.01 -0.00 -0.00 0.01 0.01 -0.07 0.07 -0.00 -0.00 -0.00 0.01 -0.07 -0.07 0.00 -0.08 -0.00 0.00 -0.00 0.05 -0.01 -0.00 -0.07 -0.01 -0.00 -0.07 0.01 -0.00 -0.11 -0.00 0.00 0.14 -0.00 0.00 0.10 -0.00 0.00 0.04 0.01 -0.00 -0.09 0.01 -0.00 0.11 -0.00 0.00 -0.14 -0.00 0.00 -0.10 -0.00 0.00 -0.04 0.01 -0.00 0.09 -0.00 0.00 0.10 0.01 0.01 -0.05 0.00 -0.00 -0.05 -0.01 -0.00 0.07 -0.01 0.00 0.07 -0.00 0.00 -0.10 0.01 0.01 0.05 0.00 -0.00 0.02 0.00 -0.00 -0.03 -0.01 -0.00 -0.11 -0.01 -0.00 0.11 0.01 -0.01 -0.18 -0.00 0.00 0.23 0.01 -0.01 0.18 -0.00 0.00 -0.23 -0.00 0.01 0.17 0.01 0.01 -0.09 -0.00 0.01 -0.17 0.01 0.01 0.09 0.00 -0.00 -0.04 0.00 -0.02 -0.04 0.00 0.02 -0.02 0.00 -0.03 -0.02 -0.00 0.02 -0.02 0.00 -0.00 -0.01 -0.00 -0.04 -0.05 0.00 -0.05 -0.01 -0.01 0.03 -0.01 -0.00 -0.01 0.02 -0.01 -0.00 0.18 -0.11 -0.01 0.17 0.08 0.00 0.10 -0.12 -0.01 0.10 0.08 0.00 0.07 -0.02 -0.00 0.03 -0.16 -0.02 0.21 -0.20 -0.02 0.07 0.12 0.01 0.05 -0.03 0.00 -0.09 0.00 -0.00 0.04 0.00 0.02 0.02 0.00 -0.02 0.04 -0.00 0.02 0.02 0.00 -0.03 0.02 0.00 -0.00 0.01 -0.00 -0.04 0.05 -0.01 0.03 0.01 0.00 -0.05 0.01 -0.00 -0.01 -0.02 -0.01 -0.00 -0.18 0.08 0.00 -0.10 -0.11 -0.01 -0.17 0.08 0.00 -0.07 -0.12 -0.01 -0.10 -0.02 -0.00 -0.03 -0.16 -0.02 -0.21 0.12 0.01 -0.05 -0.20 -0.02 -0.07 -0.03 0.00 0.08 0.01 0.00 -0.08 -0.00 0.00 -0.02 0.01 0.00 0.08 -0.00 0.00 0.02 0.01 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.04 -0.00 -0.01 -0.09 0.00 0.00 0.10 0.01 -0.01 -0.05 -0.00 -0.00 -0.05 -0.00 0.01 0.07 -0.00 0.01 0.07 0.00 0.00 -0.10 0.01 -0.01 0.05 -0.00 -0.00 0.05 -0.00 0.01 -0.07 -0.00 0.01 -0.07 -0.00 -0.01 0.11 0.00 0.00 -0.14 0.00 0.00 -0.10 0.00 0.00 -0.04 -0.00 -0.01 0.09 -0.00 -0.01 -0.11 0.00 0.00 0.14 -0.00 0.01 -0.11 -0.00 0.01 0.11 -0.00 -0.00 -0.02 -0.00 -0.00 0.02 0.01 0.00 0.17 0.01 -0.01 -0.09 0.01 0.00 -0.17 0.01 -0.01 0.09 -0.01 -0.01 0.18 0.00 0.00 -0.23 -0.01 -0.01 -0.18 0.00 0.00 0.23 -0.00 0.01 0.18 -0.01 0.11 0.17 0.00 -0.08 0.10 -0.01 0.12 0.10 0.00 -0.08 0.07 -0.00 0.02 0.03 -0.02 0.16 0.21 -0.02 0.20 0.07 0.01 -0.12 0.05 0.00 0.03 -0.08 -0.00 -0.00 0.04 -0.02 -0.00 0.04 0.02 -0.00 0.02 -0.03 -0.00 0.02 0.02 0.00 0.02 -0.00 -0.00 0.01 -0.04 0.00 0.05 -0.05 -0.00 0.01 0.03 0.01 0.01 -0.01 0.00 -0.02 -0.00 0.01 -0.18 0.00 -0.08 -0.10 -0.01 0.11 -0.17 0.00 -0.08 -0.07 -0.01 0.12 -0.10 -0.00 0.02 -0.03 -0.02 0.16 -0.21 0.01 -0.12 -0.05 -0.02 0.20 -0.07 0.00 0.03 0.09 -0.00 -0.00 -0.04 0.02 -0.00 -0.02 -0.02 -0.00 -0.04 0.02 0.00 -0.02 -0.03 -0.00 -0.02 -0.00 -0.00 -0.01 -0.04 0.00 -0.05 0.03 0.01 -0.01 -0.05 -0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 -0.02 0.00 -0.01 0.08 0.00 0.00 0.02 0.00 -0.01 -0.08 0.00 -0.01 -0.00 -0.00 -0.01 -0.12 -0.01 -0.01 -0.19 -0.01 -0.00 -0.12 -0.00 0.00 0.03 -0.00 0.00 0.03 0.01 -0.00 -0.12 0.01 -0.01 -0.19 0.00 -0.01 -0.12 0.00 -0.00 0.03 0.00 -0.00 0.03 -0.01 0.00 -0.12 -0.01 0.01 -0.19 -0.00 0.01 -0.12 -0.00 -0.00 0.03 -0.00 -0.00 0.03 0.00 0.01 -0.12 0.01 0.01 -0.19 0.01 0.00 -0.12 0.00 0.00 0.03 0.00 0.00 0.03 0.00 -0.00 0.03 -0.00 0.00 0.03 0.00 0.00 0.03 -0.00 -0.00 0.03 -0.01 0.00 0.15 -0.01 0.01 0.15 0.01 -0.00 0.15 0.01 -0.01 0.15 -0.00 -0.01 0.15 -0.01 -0.01 0.15 0.00 0.01 0.15 0.01 0.01 0.15 -0.00 -0.00 0.13 -0.01 0.07 0.12 0.00 -0.07 0.07 -0.01 0.08 0.06 0.00 -0.07 0.04 0.00 0.00 0.00 -0.01 0.11 0.15 -0.01 0.14 0.03 0.01 -0.10 0.02 0.00 0.01 -0.08 0.00 -0.00 0.13 -0.07 -0.01 0.12 0.07 0.00 0.07 -0.08 -0.01 0.05 0.07 0.00 0.04 -0.00 0.00 0.00 -0.11 -0.01 0.15 -0.14 -0.01 0.03 0.10 0.01 0.02 -0.01 0.00 -0.08 0.00 0.00 0.13 -0.00 0.07 0.07 0.01 -0.07 0.12 -0.00 0.07 0.04 0.01 -0.08 0.05 -0.00 -0.00 0.00 0.01 -0.11 0.15 -0.01 0.10 0.02 0.01 -0.14 0.03 -0.00 -0.01 -0.08 -0.00 0.00 0.13 -0.07 -0.00 0.07 0.07 0.01 0.12 -0.07 -0.00 0.04 0.08 0.01 0.05 0.00 -0.00 0.00 0.11 0.01 0.15 -0.10 -0.01 0.02 0.14 0.01 0.03 0.01 -0.00 -0.08 0.01 0.00 -0.04 -0.00 0.01 -0.04 -0.01 -0.00 -0.04 0.00 -0.01 -0.04 -0.00 -0.00 0.17 0.00 -0.01 -0.09 0.01 -0.01 0.00 0.01 -0.00 0.09 -0.01 -0.01 -0.11 -0.01 -0.00 0.11 -0.01 -0.00 0.09 -0.01 -0.01 -0.00 -0.00 -0.01 -0.09 0.01 0.01 -0.11 0.01 0.00 0.11 0.01 0.00 0.09 0.01 0.01 -0.00 0.00 0.01 -0.09 -0.01 0.01 0.11 -0.00 0.01 -0.11 -0.00 0.01 -0.09 -0.01 0.01 0.00 -0.01 0.00 0.09 0.01 -0.01 0.11 0.00 -0.01 -0.11 0.00 0.00 0.04 0.00 -0.00 0.04 0.00 0.00 -0.04 -0.00 -0.00 -0.04 -0.01 -0.01 -0.19 -0.01 -0.00 0.19 0.01 0.01 -0.19 0.01 -0.00 0.19 -0.01 0.01 0.19 -0.00 0.01 -0.19 0.01 -0.01 0.19 0.00 -0.01 -0.19 -0.00 -0.01 0.12 -0.01 0.06 0.11 0.00 -0.07 0.07 -0.01 0.08 0.05 0.00 -0.08 0.03 0.00 -0.00 -0.00 -0.01 0.10 0.15 -0.01 0.14 0.02 0.01 -0.11 0.01 0.00 0.00 -0.09 -0.01 0.00 -0.12 0.06 0.01 -0.11 -0.07 -0.00 -0.07 0.07 0.01 -0.05 -0.08 -0.00 -0.03 -0.00 -0.00 0.00 0.10 0.01 -0.15 0.14 0.01 -0.02 -0.11 -0.01 -0.01 0.00 -0.00 0.09 0.00 0.01 0.12 -0.00 0.07 0.07 0.01 -0.06 0.11 -0.00 0.08 0.03 0.01 -0.08 0.05 -0.00 0.00 -0.00 0.01 -0.10 0.15 -0.01 0.11 0.01 0.01 -0.14 0.02 -0.00 -0.00 -0.09 0.01 -0.00 -0.12 0.07 0.00 -0.07 -0.06 -0.01 -0.11 0.08 0.00 -0.03 -0.08 -0.01 -0.05 0.00 0.00 0.00 -0.11 -0.01 -0.15 0.11 0.01 -0.01 -0.14 -0.01 -0.02 -0.00 0.00 0.09 -0.00 -0.00 0.04 -0.00 0.00 -0.04 0.00 0.00 0.04 0.00 -0.00 -0.04 0.00 0.00 0.00 -0.09 0.11 -0.01 -0.13 0.11 -0.00 -0.12 0.07 0.01 0.11 0.14 -0.01 0.12 0.13 0.01 0.11 0.09 0.01 0.11 0.13 -0.00 0.07 0.12 -0.01 -0.11 -0.14 -0.01 -0.12 -0.13 0.01 -0.11 -0.09 0.01 -0.11 -0.13 -0.00 -0.07 -0.12 -0.01 0.14 -0.11 0.01 0.13 -0.12 -0.01 0.09 -0.11 -0.01 0.13 -0.11 0.00 0.12 -0.07 0.01 -0.14 0.11 0.01 -0.13 0.12 -0.01 -0.00 0.02 -0.00 0.00 -0.02 -0.00 0.02 0.00 0.00 -0.02 -0.00 0.00 0.13 0.14 -0.02 0.12 0.16 0.02 -0.13 -0.14 -0.02 -0.12 -0.16 0.02 0.14 -0.13 0.02 0.16 -0.12 -0.02 -0.14 0.13 0.02 -0.16 0.12 -0.02 -0.00 0.02 -0.00 -0.00 0.05 -0.00 -0.00 0.05 0.01 -0.01 0.05 0.03 -0.00 0.07 0.04 -0.01 0.08 0.04 -0.00 0.06 0.00 -0.00 0.02 0.04 -0.00 0.07 0.05 -0.01 0.08 0.05 0.02 0.00 0.00 0.05 0.00 0.00 0.05 0.00 -0.01 0.05 0.01 -0.03 0.07 0.00 -0.04 0.08 0.01 -0.04 0.06 0.00 -0.00 0.02 0.00 -0.04 0.07 0.00 -0.05 0.08 0.01 -0.05 0.00 -0.02 -0.00 0.00 -0.05 0.01 0.00 -0.05 -0.00 0.00 -0.07 0.04 0.01 -0.05 0.03 0.01 -0.08 0.04 0.00 -0.06 0.00 0.00 -0.07 0.05 0.00 -0.02 0.04 0.01 -0.08 0.05 -0.02 -0.00 0.00 -0.05 -0.00 -0.01 -0.05 -0.00 0.00 -0.07 -0.00 -0.04 -0.05 -0.01 -0.03 -0.08 -0.01 -0.04 -0.06 -0.00 -0.00 -0.07 -0.00 -0.05 -0.02 -0.00 -0.04 -0.08 -0.01 -0.05 -0.01 -0.00 0.02 -0.00 0.01 -0.02 0.01 0.00 0.02 0.00 -0.01 -0.02 -0.00 0.00 0.00 0.03 0.09 -0.00 0.02 0.10 0.01 0.02 0.08 0.00 -0.04 -0.14 0.01 -0.06 -0.13 -0.01 -0.07 -0.08 -0.01 -0.07 -0.12 -0.00 -0.03 -0.12 0.01 -0.04 -0.14 -0.01 -0.06 -0.13 0.01 -0.07 -0.08 0.01 -0.07 -0.13 0.00 -0.03 -0.12 -0.01 0.06 0.15 0.00 0.08 0.15 0.01 0.03 0.09 0.00 0.02 0.10 -0.01 0.02 0.08 -0.00 0.06 0.15 -0.00 0.07 0.15 -0.01 0.05 0.01 -0.00 0.05 0.01 0.00 0.02 0.03 -0.00 0.02 0.03 0.00 -0.05 -0.14 0.02 -0.05 -0.17 -0.01 -0.05 -0.14 -0.02 -0.05 -0.17 0.01 0.06 0.20 0.00 0.11 0.15 0.01 0.06 0.20 -0.00 0.10 0.15 -0.01 0.07 0.01 0.01 -0.10 -0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.09 -0.02 -0.01 0.08 -0.01 -0.01 -0.23 -0.02 -0.00 0.02 0.00 -0.01 -0.20 -0.03 -0.01 0.17 -0.00 -0.01 -0.00 0.04 -0.00 -0.01 -0.05 -0.01 -0.02 -0.00 0.00 -0.01 0.00 0.01 -0.02 -0.05 0.01 -0.03 0.04 0.01 -0.01 -0.12 -0.01 -0.00 0.01 0.01 -0.02 -0.11 0.01 -0.03 0.08 0.02 0.07 0.01 -0.01 -0.00 -0.01 0.00 -0.10 -0.01 -0.00 -0.09 -0.02 0.01 0.01 -0.01 0.00 0.08 -0.01 0.01 -0.23 -0.02 0.00 -0.20 -0.03 0.01 0.02 0.00 0.01 0.17 -0.00 0.01 -0.00 0.04 0.00 -0.02 -0.00 -0.00 -0.01 -0.05 0.01 -0.02 -0.05 -0.01 -0.01 0.00 -0.01 -0.03 0.04 -0.01 -0.01 -0.12 0.01 -0.02 -0.11 -0.01 -0.00 0.01 -0.01 -0.03 0.08 -0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.05 0.03 -0.00 -0.08 0.07 -0.01 -0.13 0.07 -0.00 -0.12 0.03 0.01 0.15 -0.06 0.00 0.15 -0.07 0.01 0.09 -0.03 0.00 0.10 -0.02 -0.01 0.08 -0.02 -0.00 0.15 -0.06 -0.00 0.15 -0.08 -0.01 0.09 -0.03 -0.00 0.10 -0.02 0.01 0.08 -0.02 0.00 -0.14 0.04 -0.01 -0.13 0.06 0.01 -0.08 0.07 0.01 -0.12 0.07 0.00 -0.12 0.03 -0.01 -0.14 0.04 0.01 -0.13 0.06 -0.01 0.03 -0.02 -0.00 0.03 -0.02 0.00 0.01 -0.05 0.00 0.01 -0.05 -0.00 0.20 -0.06 0.00 0.15 -0.10 0.01 0.20 -0.06 -0.00 0.15 -0.11 -0.01 -0.14 0.05 -0.02 -0.17 0.05 0.01 -0.14 0.05 0.02 -0.18 0.05 -0.01 0.04 0.00 -0.00 -0.05 0.01 -0.01 -0.00 0.02 0.00 0.00 0.01 0.01 -0.05 0.02 0.01 0.04 0.03 0.01 -0.12 0.01 -0.01 0.01 0.00 0.01 -0.11 0.02 0.01 0.08 0.03 0.02 0.01 -0.07 -0.01 -0.01 0.10 -0.00 -0.01 0.00 0.00 -0.01 -0.01 0.00 -0.02 0.09 0.01 -0.01 -0.08 0.01 -0.02 0.23 0.00 0.00 -0.02 0.01 -0.03 0.20 0.01 -0.00 -0.17 0.01 0.04 0.00 0.00 -0.00 0.02 -0.00 -0.05 0.01 0.01 -0.05 0.02 -0.01 0.00 0.01 -0.01 0.04 0.03 -0.01 -0.12 0.01 0.01 -0.11 0.02 -0.01 0.01 0.00 -0.01 0.08 0.03 -0.02 0.01 -0.07 0.01 -0.01 0.00 -0.00 -0.01 0.10 0.00 -0.02 0.09 -0.01 -0.01 -0.01 -0.00 -0.01 -0.08 -0.01 -0.02 0.23 -0.00 -0.03 0.20 -0.01 0.00 -0.02 -0.01 -0.00 -0.17 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.03 -0.05 -0.00 -0.04 -0.12 0.00 -0.10 -0.12 -0.00 -0.11 -0.06 0.00 0.08 -0.11 0.00 0.12 -0.06 0.00 0.12 -0.04 0.00 0.12 -0.10 -0.00 0.06 -0.11 0.00 -0.08 0.11 0.00 -0.12 0.06 0.00 -0.12 0.04 0.00 -0.12 0.10 -0.00 -0.06 0.11 0.00 0.11 0.08 0.00 0.06 0.12 0.00 0.04 0.12 0.00 0.10 0.12 -0.00 0.11 0.06 0.00 -0.11 -0.08 0.00 -0.06 -0.12 0.00 0.01 -0.10 0.01 -0.01 0.10 0.01 0.10 0.01 0.01 -0.10 -0.01 0.01 0.06 -0.11 0.00 0.12 -0.04 0.01 -0.06 0.11 0.00 -0.12 0.04 0.01 0.11 0.06 0.00 0.04 0.12 0.01 -0.11 -0.06 0.00 -0.04 -0.12 0.01 -0.00 0.02 0.02 0.00 -0.07 0.04 0.01 -0.08 -0.02 0.01 -0.09 -0.02 0.01 -0.10 -0.07 0.01 -0.14 -0.06 0.01 -0.10 0.01 0.00 -0.01 -0.05 0.01 -0.10 -0.06 0.01 -0.14 -0.07 -0.02 -0.00 0.02 0.07 0.00 0.04 0.08 0.01 -0.02 0.09 0.01 -0.02 0.11 0.01 -0.07 0.14 0.01 -0.06 0.10 0.01 0.01 0.01 0.00 -0.05 0.10 0.01 -0.06 0.14 0.01 -0.07 0.00 -0.02 0.02 -0.01 0.08 -0.02 -0.00 0.07 0.04 -0.01 0.11 -0.07 -0.01 0.09 -0.02 -0.01 0.14 -0.06 -0.01 0.10 0.01 -0.01 0.10 -0.06 -0.00 0.01 -0.05 -0.01 0.15 -0.07 0.02 0.00 0.02 -0.08 -0.01 -0.02 -0.07 -0.00 0.04 -0.10 -0.01 -0.07 -0.09 -0.01 -0.02 -0.14 -0.01 -0.06 -0.10 -0.01 0.01 -0.10 -0.01 -0.06 -0.01 -0.00 -0.05 -0.14 -0.01 -0.07 -0.02 -0.00 0.02 0.00 -0.02 0.02 0.02 0.00 0.02 -0.00 0.02 0.02 0.00 0.00 0.00 0.02 -0.07 -0.00 -0.05 -0.06 -0.00 -0.07 0.01 -0.00 0.06 0.02 -0.00 -0.01 -0.06 0.00 -0.07 -0.02 0.00 -0.06 0.05 0.00 0.01 0.07 0.00 -0.06 -0.02 -0.00 0.01 0.06 0.00 0.07 0.02 0.00 0.06 -0.05 0.00 -0.01 -0.07 0.00 0.02 -0.06 0.00 -0.06 0.01 -0.00 -0.02 0.07 -0.00 0.05 0.06 -0.00 0.07 -0.01 -0.00 -0.02 0.06 0.00 0.06 -0.01 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.13 0.01 -0.00 0.01 -0.13 0.00 -0.13 -0.01 -0.00 -0.01 0.13 0.00 0.01 -0.13 0.00 -0.13 -0.01 -0.00 -0.01 0.13 0.00 0.13 0.01 -0.00 0.09 0.01 0.00 -0.09 -0.01 -0.00 0.11 0.01 0.00 0.05 0.00 0.00 -0.09 -0.01 -0.00 0.03 0.00 0.00 -0.27 -0.02 -0.01 0.06 0.00 0.00 -0.28 -0.02 -0.01 0.02 0.00 0.00 0.01 -0.09 -0.00 -0.01 0.09 0.00 0.01 -0.11 -0.00 0.00 -0.05 -0.00 -0.01 0.09 0.00 0.00 -0.03 -0.00 -0.02 0.26 0.01 0.00 -0.06 -0.00 -0.02 0.28 0.01 0.00 -0.02 -0.00 -0.09 -0.01 0.00 -0.11 -0.01 0.00 0.09 0.01 -0.00 0.09 0.01 -0.00 -0.05 -0.00 0.00 -0.03 -0.00 0.00 0.27 0.02 -0.01 0.28 0.02 -0.01 -0.06 -0.00 0.00 -0.02 -0.00 0.00 -0.01 0.09 -0.00 -0.01 0.11 -0.00 0.01 -0.09 0.00 0.01 -0.09 0.00 -0.00 0.05 -0.00 -0.00 0.03 -0.00 0.02 -0.27 0.01 0.02 -0.28 0.01 -0.00 0.06 -0.00 -0.00 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.02 0.00 -0.00 -0.02 -0.00 -0.00 -0.00 0.02 -0.00 0.00 -0.02 -0.00 0.02 -0.00 -0.01 0.00 -0.01 0.01 -0.02 0.00 -0.01 -0.00 0.01 0.01 0.00 0.02 -0.01 0.01 0.00 0.01 -0.00 -0.02 -0.01 -0.01 -0.00 0.01 -0.07 -0.01 -0.00 0.10 0.01 0.00 -0.16 -0.01 -0.00 -0.07 -0.00 -0.00 0.09 0.01 0.00 -0.01 0.00 0.00 0.30 0.02 0.01 -0.10 -0.01 -0.00 0.31 0.02 0.01 0.04 0.00 0.00 0.01 -0.07 -0.00 -0.01 0.10 0.00 0.01 -0.15 -0.00 0.00 -0.07 -0.00 -0.01 0.09 0.00 -0.00 -0.01 0.00 -0.02 0.30 0.01 0.01 -0.10 -0.00 -0.02 0.31 0.01 -0.00 0.04 0.00 0.07 0.01 -0.00 0.15 0.01 -0.00 -0.10 -0.01 0.00 -0.09 -0.01 0.00 0.07 0.00 -0.00 0.01 -0.00 0.00 -0.29 -0.02 0.01 -0.30 -0.02 0.01 0.10 0.01 -0.00 -0.04 -0.01 0.00 -0.01 0.08 -0.00 -0.01 0.16 -0.00 0.01 -0.10 0.00 0.01 -0.09 0.00 -0.00 0.07 -0.00 0.00 0.01 0.00 0.02 -0.30 0.01 0.02 -0.31 0.01 -0.01 0.10 -0.00 0.01 -0.04 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.03 -0.00 0.00 0.04 -0.02 0.00 -0.04 0.03 -0.00 -0.01 0.07 0.00 0.03 0.03 -0.00 0.02 0.01 -0.00 -0.01 -0.01 0.00 -0.04 0.03 0.00 -0.01 0.07 -0.00 0.03 0.03 0.00 0.02 0.01 0.00 -0.01 -0.01 -0.00 0.01 -0.06 0.00 -0.03 -0.04 -0.00 -0.01 0.00 0.00 0.03 -0.00 -0.00 0.04 -0.02 -0.00 0.01 -0.06 -0.00 -0.03 -0.04 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 0.00 0.00 -0.07 0.03 -0.01 -0.02 0.12 0.00 -0.07 0.03 0.01 -0.02 0.12 -0.00 0.01 -0.11 0.00 -0.06 -0.04 -0.01 0.01 -0.11 -0.00 -0.06 -0.04 0.01 0.08 0.01 0.00 -0.13 -0.01 -0.00 0.22 0.02 0.00 0.11 0.01 0.00 -0.11 -0.01 -0.00 -0.00 0.00 0.00 -0.38 -0.03 -0.01 0.16 0.01 0.00 -0.39 -0.03 -0.01 -0.10 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.02 0.00 -0.01 -0.01 0.00 -0.02 0.01 0.01 -0.02 -0.00 0.01 -0.01 0.02 -0.01 0.00 -0.01 0.01 -0.02 0.02 0.01 -0.02 0.01 0.01 0.08 0.01 -0.00 0.23 0.02 -0.01 -0.13 -0.01 0.00 -0.11 -0.01 0.00 0.11 0.01 -0.00 -0.00 0.00 -0.00 -0.38 -0.03 0.01 -0.40 -0.03 0.01 0.16 0.01 -0.00 -0.10 -0.01 0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.00 -0.01 0.01 0.01 -0.02 0.01 -0.01 -0.01 -0.01 -0.00 -0.02 -0.00 -0.01 -0.01 0.02 0.01 -0.02 0.02 -0.01 0.00 -0.01 -0.01 -0.02 0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.03 -0.00 0.00 -0.03 0.03 0.00 -0.01 0.02 0.00 0.01 -0.01 -0.00 0.06 0.01 -0.00 0.04 -0.03 0.00 -0.00 -0.01 -0.00 0.00 0.03 0.00 0.02 0.04 0.00 0.06 0.01 0.00 0.04 -0.03 -0.00 -0.01 -0.01 0.00 0.00 0.03 -0.00 0.02 0.04 -0.00 -0.03 -0.04 -0.00 -0.07 -0.01 0.00 -0.03 0.03 -0.00 -0.01 0.02 -0.00 0.01 -0.01 0.00 -0.03 -0.04 0.00 -0.06 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.11 0.01 -0.00 0.04 -0.06 0.01 0.11 0.00 0.00 0.04 -0.06 -0.01 -0.03 -0.08 -0.01 -0.12 -0.02 0.00 -0.03 -0.07 0.01 -0.11 -0.02 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.01 0.02 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 -0.02 -0.01 0.00 -0.02 -0.01 -0.02 -0.01 0.01 0.01 0.00 -0.01 -0.02 -0.02 -0.01 -0.01 -0.02 -0.01 -0.01 0.08 0.00 0.01 -0.13 -0.00 -0.02 0.22 0.00 -0.01 0.11 0.00 0.01 -0.11 -0.00 0.00 -0.00 0.00 0.03 -0.38 -0.01 -0.01 0.16 0.00 0.03 -0.40 -0.01 0.01 -0.10 -0.00 0.00 0.00 -0.01 0.02 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 -0.02 0.01 0.01 -0.01 0.00 0.00 -0.02 0.01 -0.02 -0.01 -0.01 -0.02 -0.02 0.01 0.01 0.00 0.01 -0.01 -0.02 0.01 -0.01 0.08 -0.00 -0.02 0.22 -0.00 0.01 -0.13 0.00 0.01 -0.11 0.00 -0.01 0.11 -0.00 -0.00 -0.00 -0.00 0.03 -0.38 0.01 0.03 -0.40 0.01 -0.01 0.16 -0.00 0.01 -0.10 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.03 -0.00 -0.05 0.05 -0.00 0.03 0.04 -0.01 0.06 -0.04 -0.00 0.16 -0.05 0.00 0.07 -0.15 0.01 -0.05 -0.05 -0.00 -0.04 0.03 -0.01 0.04 0.06 -0.00 -0.15 0.05 0.00 -0.07 0.15 0.01 0.05 0.05 -0.00 0.04 -0.03 -0.01 -0.04 -0.06 -0.00 0.05 0.15 0.00 0.15 0.07 0.01 0.05 -0.05 -0.00 -0.03 -0.04 -0.01 -0.06 0.04 -0.00 -0.05 -0.15 0.00 -0.15 -0.07 0.01 -0.00 0.03 -0.00 0.00 -0.03 -0.00 -0.03 -0.00 -0.00 0.03 0.00 -0.00 0.29 -0.05 0.01 0.10 -0.28 0.01 -0.29 0.05 0.01 -0.10 0.28 0.01 0.05 0.29 0.01 0.28 0.10 0.01 -0.05 -0.29 0.01 -0.28 -0.10 0.01 0.00 -0.01 -0.01 -0.01 0.02 -0.01 0.01 0.02 0.01 0.00 0.02 0.00 -0.01 0.03 0.02 -0.00 0.04 0.02 -0.02 0.03 -0.01 0.01 -0.00 0.01 -0.02 0.02 0.02 -0.01 0.04 0.02 0.01 0.01 -0.01 -0.02 -0.01 -0.01 -0.02 0.01 0.01 -0.02 0.00 0.00 -0.03 -0.01 0.02 -0.04 -0.00 0.02 -0.03 -0.02 -0.01 0.00 0.01 0.01 -0.02 -0.02 0.02 -0.04 -0.01 0.02 -0.01 0.01 -0.01 -0.01 -0.02 0.01 0.01 -0.02 -0.01 0.01 -0.03 0.02 -0.00 -0.02 0.00 0.00 -0.04 0.02 0.02 -0.03 -0.01 0.02 -0.02 0.02 -0.01 0.00 0.01 0.01 -0.04 0.02 -0.01 -0.00 -0.01 0.02 -0.01 0.01 0.02 0.01 -0.01 0.03 0.01 0.02 0.02 -0.00 0.00 0.04 0.00 0.02 0.03 0.02 -0.01 0.02 0.02 0.02 -0.00 -0.00 0.01 0.04 0.01 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.09 -0.00 0.07 0.08 -0.01 0.09 -0.00 -0.00 -0.06 -0.03 -0.00 0.03 0.06 -0.00 0.09 0.02 0.00 0.08 -0.07 0.01 -0.00 -0.09 0.00 0.06 0.04 -0.00 -0.03 -0.06 -0.00 -0.09 -0.02 0.00 -0.08 0.07 0.01 0.00 0.10 0.00 -0.04 0.06 0.00 0.06 -0.03 0.00 0.02 -0.09 -0.00 -0.07 -0.08 -0.01 -0.10 0.00 -0.00 0.03 -0.06 0.00 -0.06 0.03 0.00 0.02 0.00 -0.00 -0.02 -0.00 -0.00 0.00 -0.02 0.00 -0.00 0.02 0.00 -0.15 -0.03 0.00 0.01 0.16 -0.00 0.16 0.03 0.00 -0.01 -0.16 -0.00 -0.03 0.16 -0.00 0.16 -0.01 0.00 0.03 -0.15 -0.00 -0.16 0.01 0.00 -0.03 -0.00 -0.00 -0.06 -0.00 -0.00 0.16 0.01 0.00 0.10 0.01 0.00 -0.02 -0.00 -0.00 -0.06 -0.00 -0.00 -0.17 -0.01 -0.00 0.17 0.01 0.00 -0.16 -0.01 -0.00 -0.19 -0.01 -0.00 -0.00 0.03 0.00 -0.00 0.06 0.00 0.01 -0.16 -0.00 0.01 -0.09 -0.00 -0.00 0.02 0.00 -0.00 0.06 0.00 -0.01 0.17 0.00 0.01 -0.17 -0.00 -0.01 0.15 0.00 -0.01 0.19 0.00 0.03 0.00 -0.00 -0.16 -0.01 0.00 0.06 0.00 -0.00 0.02 0.00 -0.00 -0.09 -0.01 0.00 0.06 0.00 -0.00 0.17 0.01 -0.00 0.15 0.01 -0.00 -0.17 -0.01 0.00 0.18 0.01 -0.00 0.00 -0.03 0.00 -0.01 0.16 -0.00 0.00 -0.06 0.00 0.00 -0.02 0.00 -0.01 0.09 -0.00 0.00 -0.06 0.00 0.01 -0.17 0.00 0.01 -0.15 0.00 -0.01 0.17 -0.00 0.01 -0.19 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.03 0.16 -0.00 0.11 0.13 -0.01 0.16 -0.01 -0.00 0.03 0.02 0.00 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.01 0.03 -0.00 0.00 0.04 -0.00 0.03 0.02 -0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.03 0.00 0.00 0.04 0.00 0.04 -0.12 -0.00 -0.12 0.02 -0.00 -0.03 0.16 0.00 0.11 0.13 0.01 0.16 -0.01 0.00 0.04 -0.12 0.00 -0.13 0.02 0.01 0.01 0.08 -0.00 0.01 0.08 0.00 0.06 0.02 -0.00 0.06 0.02 0.00 0.06 0.02 0.00 0.01 -0.03 -0.00 0.06 0.02 -0.00 0.01 -0.03 0.00 0.03 -0.29 -0.00 -0.30 -0.01 -0.00 0.03 -0.30 0.00 -0.31 -0.01 0.00 0.03 0.03 0.01 0.03 -0.04 0.04 -0.08 -0.04 -0.02 -0.05 -0.05 -0.00 0.01 -0.05 -0.04 0.05 -0.09 -0.03 0.08 -0.06 0.02 -0.10 -0.00 -0.03 0.06 -0.04 -0.03 0.12 -0.08 -0.03 0.02 0.04 -0.01 -0.03 0.04 -0.03 -0.02 -0.11 0.01 -0.03 -0.07 -0.00 -0.04 -0.00 0.03 -0.07 0.05 0.03 -0.06 0.09 -0.01 0.02 -0.13 0.01 -0.04 0.07 0.03 -0.08 0.14 0.03 0.03 0.03 -0.01 -0.08 -0.04 0.02 0.03 -0.04 -0.04 0.01 -0.05 0.04 -0.05 -0.05 0.00 0.05 -0.09 0.03 0.08 -0.06 -0.02 0.07 -0.04 0.03 -0.10 -0.00 0.03 0.12 -0.08 0.03 0.02 0.04 0.01 -0.02 -0.11 -0.01 -0.03 0.03 0.03 -0.04 -0.00 -0.03 -0.03 -0.07 0.00 -0.07 0.04 -0.03 -0.06 0.09 0.01 -0.04 0.07 -0.03 0.02 -0.13 -0.02 -0.08 0.14 -0.03 0.01 0.00 -0.01 0.00 0.01 -0.01 0.01 0.00 0.01 0.00 0.01 0.01 -0.04 -0.07 0.00 -0.00 0.01 0.00 0.03 0.01 -0.00 0.04 -0.00 -0.00 -0.12 -0.04 -0.00 0.02 0.13 -0.01 0.16 0.03 0.00 0.13 -0.11 0.01 -0.01 -0.16 0.00 -0.12 -0.04 0.00 0.02 0.12 0.00 0.16 0.03 -0.00 0.13 -0.11 -0.01 -0.01 -0.16 -0.00 0.02 -0.03 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.02 0.01 0.00 0.04 -0.00 0.00 0.02 -0.03 0.00 -0.01 -0.01 0.00 0.02 -0.06 -0.00 0.02 -0.06 0.00 0.08 -0.01 0.00 0.08 -0.01 -0.00 -0.30 -0.03 -0.00 -0.01 0.31 -0.00 -0.29 -0.03 0.00 -0.01 0.30 0.00 0.02 -0.06 -0.00 -0.03 -0.01 0.00 0.02 -0.06 0.00 -0.03 -0.01 -0.00 0.04 -0.02 -0.01 0.03 0.03 -0.03 -0.10 0.02 0.01 -0.07 0.03 -0.00 -0.00 0.04 0.03 0.04 0.07 0.03 0.09 0.06 -0.01 -0.13 -0.02 0.02 0.07 0.04 0.03 0.14 0.08 0.03 0.03 -0.03 -0.01 -0.04 -0.03 -0.04 -0.04 0.08 0.02 -0.05 0.05 0.00 -0.05 -0.01 0.04 -0.09 -0.05 0.03 -0.06 -0.08 -0.02 -0.00 0.10 0.03 -0.04 -0.06 0.03 -0.08 -0.12 0.03 0.04 -0.02 0.01 -0.11 0.02 -0.01 0.04 0.03 0.03 -0.00 0.04 -0.03 -0.07 0.03 0.00 0.05 0.07 -0.03 0.09 0.06 0.01 0.07 0.04 -0.03 -0.13 -0.02 -0.01 0.14 0.08 -0.03 0.03 -0.03 0.01 -0.04 0.08 -0.02 -0.04 -0.03 0.04 -0.05 -0.01 -0.04 -0.05 0.05 -0.00 -0.09 -0.05 -0.03 -0.06 -0.08 0.02 -0.04 -0.07 -0.03 -0.00 0.10 -0.03 -0.08 -0.12 -0.03 0.01 -0.00 -0.01 0.00 -0.01 0.01 0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.07 0.04 -0.00 -0.01 -0.02 -0.00 0.01 -0.01 -0.00 0.02 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 0.02 -0.01 -0.00 0.01 0.01 -0.00 -0.01 0.02 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.02 0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.02 0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.01 0.02 -0.00 -0.01 0.01 -0.00 -0.02 -0.01 0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.05 -0.00 0.01 0.05 0.00 0.01 0.00 -0.05 0.01 -0.00 0.05 0.01 0.01 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 0.16 0.01 0.00 0.05 0.00 -0.00 -0.06 -0.00 -0.00 -0.11 -0.01 -0.00 -0.08 -0.00 -0.00 0.13 0.01 0.00 -0.01 -0.00 -0.00 -0.29 -0.02 -0.01 -0.14 -0.01 -0.00 0.27 0.02 0.01 -0.01 0.16 0.00 -0.00 0.05 -0.00 0.00 -0.06 -0.00 0.01 -0.11 -0.00 0.00 -0.08 -0.00 -0.01 0.13 0.00 0.00 -0.01 -0.00 0.02 -0.29 -0.01 0.01 -0.14 -0.00 -0.02 0.27 0.01 -0.16 -0.01 0.00 0.06 0.00 -0.00 -0.05 -0.00 -0.00 0.08 0.00 -0.00 0.11 0.01 -0.00 -0.13 -0.01 0.00 0.01 0.00 -0.00 0.14 0.01 -0.00 0.29 0.02 -0.01 -0.27 -0.02 0.01 0.01 -0.16 0.00 -0.00 0.06 -0.00 0.00 -0.05 -0.00 -0.00 0.08 -0.00 -0.01 0.11 -0.00 0.01 -0.13 0.00 -0.00 0.01 -0.00 -0.01 0.14 -0.00 -0.02 0.29 -0.01 0.02 -0.27 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.04 -0.00 -0.04 -0.03 -0.00 -0.03 0.00 0.00 0.03 -0.03 0.00 0.05 -0.00 0.00 0.03 0.01 -0.00 0.04 -0.02 0.01 0.03 -0.04 -0.00 0.03 -0.03 -0.00 0.05 -0.00 -0.00 0.03 0.01 0.00 0.04 -0.02 -0.01 0.03 -0.04 0.00 -0.05 -0.01 0.01 -0.03 -0.03 -0.01 -0.02 -0.04 0.00 -0.04 -0.03 0.00 -0.03 0.00 -0.00 -0.05 -0.01 -0.01 -0.03 -0.03 0.01 0.00 -0.06 -0.01 0.00 -0.06 0.01 0.00 0.02 -0.01 0.00 0.02 0.01 0.02 -0.03 0.00 0.05 0.01 -0.00 0.02 -0.03 0.00 0.05 0.01 0.00 -0.05 0.00 0.01 -0.01 -0.03 -0.01 -0.05 0.00 -0.01 -0.01 -0.03 0.01 -0.00 -0.04 -0.01 -0.00 0.01 -0.04 0.00 0.00 0.01 0.00 0.02 -0.01 0.00 0.01 0.03 -0.01 0.05 0.02 -0.00 0.04 -0.02 0.02 -0.03 0.01 0.01 -0.00 0.02 -0.02 0.05 0.01 -0.01 0.21 0.00 -0.00 0.07 -0.00 -0.00 -0.03 -0.00 0.01 -0.14 -0.01 0.00 -0.11 -0.00 -0.01 0.17 0.01 0.01 -0.05 -0.01 0.04 -0.41 -0.01 0.01 -0.26 -0.01 -0.02 0.31 0.01 -0.00 -0.04 0.01 0.00 0.00 -0.01 -0.00 0.01 0.04 0.00 0.01 -0.03 0.00 0.02 0.01 -0.01 0.05 -0.02 -0.00 0.04 0.02 0.01 -0.00 -0.02 0.02 -0.03 -0.01 -0.01 0.05 -0.01 -0.01 0.21 -0.00 -0.00 -0.03 0.00 -0.00 0.07 0.00 0.00 -0.11 0.00 0.01 -0.14 0.01 -0.01 0.17 -0.01 0.01 -0.04 0.01 0.01 -0.26 0.01 0.04 -0.41 0.01 -0.02 0.31 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 0.01 -0.03 -0.00 -0.02 -0.04 0.01 -0.04 -0.03 -0.00 -0.01 0.05 0.01 -0.03 0.03 -0.01 -0.04 0.02 0.00 -0.03 0.04 0.00 0.00 0.02 -0.00 -0.01 0.05 -0.01 -0.03 0.03 0.01 -0.04 0.02 -0.00 -0.03 0.04 -0.00 0.00 0.03 0.00 -0.03 -0.03 -0.00 -0.00 -0.05 -0.00 0.01 -0.03 0.00 -0.02 -0.04 -0.01 -0.04 -0.03 0.00 -0.03 -0.03 0.00 -0.00 -0.05 0.00 0.02 -0.00 -0.01 0.02 -0.00 0.01 -0.06 -0.00 0.01 -0.06 -0.00 -0.01 0.00 0.05 0.01 -0.03 0.01 -0.01 0.00 0.05 -0.01 -0.03 0.01 0.01 -0.03 -0.02 -0.00 0.01 -0.05 0.00 -0.03 -0.02 -0.00 0.01 -0.05 -0.00 0.21 0.01 0.00 0.07 0.00 -0.00 -0.03 0.00 -0.00 -0.14 -0.01 -0.01 -0.11 -0.00 -0.00 0.17 0.01 0.01 -0.04 -0.01 -0.01 -0.41 -0.04 -0.01 -0.26 -0.01 -0.01 0.31 0.02 0.01 -0.04 0.00 0.01 0.01 0.00 0.04 0.00 -0.00 -0.01 0.02 -0.00 0.01 0.01 -0.00 -0.03 0.05 0.01 -0.02 0.04 0.00 0.02 -0.03 -0.02 -0.01 -0.00 -0.01 -0.02 0.05 0.01 -0.01 0.21 0.01 -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 -0.11 -0.00 0.00 -0.14 -0.01 0.01 0.17 0.01 -0.01 -0.04 -0.01 0.01 -0.26 -0.01 0.01 -0.41 -0.04 0.01 0.31 0.02 -0.01 -0.04 0.00 -0.01 0.00 -0.00 0.01 0.01 0.00 -0.04 0.01 -0.00 0.03 0.02 -0.00 -0.01 0.05 0.01 0.02 0.04 0.00 -0.02 -0.00 -0.01 0.02 -0.03 -0.02 0.01 0.05 0.02 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 0.00 -0.00 -0.00 -0.00 -0.06 -0.00 -0.00 -0.00 -0.00 0.00 0.06 -0.00 0.01 0.14 0.00 -0.00 -0.14 -0.00 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 -0.06 0.00 -0.01 0.14 -0.00 0.00 -0.14 0.00 -0.00 0.06 0.00 -0.00 -0.00 -0.00 -0.00 -0.06 0.01 0.00 -0.14 -0.00 -0.00 0.14 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 -0.00 0.06 -0.01 -0.00 -0.14 0.00 0.00 0.14 -0.00 -0.01 -0.24 0.00 0.01 -0.24 -0.01 0.00 0.24 0.01 -0.00 0.25 -0.00 0.01 0.21 0.01 -0.01 -0.21 0.00 -0.01 0.22 -0.01 0.01 -0.21 0.01 0.00 -0.21 -0.01 -0.01 0.21 -0.01 -0.00 -0.22 0.01 0.01 0.21 -0.00 0.00 0.06 -0.00 0.02 0.08 0.00 -0.03 0.05 -0.00 0.04 0.02 0.00 -0.04 0.00 -0.00 -0.00 -0.02 -0.01 0.06 0.11 -0.01 0.10 -0.01 0.01 -0.07 -0.02 -0.00 0.00 -0.07 0.00 0.00 -0.06 0.02 0.00 -0.08 -0.03 -0.00 -0.05 0.04 0.00 -0.02 -0.04 -0.00 -0.00 -0.00 -0.00 0.02 0.06 0.01 -0.11 0.10 0.01 0.01 -0.07 -0.01 0.02 0.00 -0.00 0.07 0.00 -0.00 0.06 -0.00 0.03 0.05 0.00 -0.02 0.08 -0.00 0.04 0.00 0.00 -0.04 0.02 -0.00 0.00 -0.02 0.01 -0.06 0.11 -0.01 0.07 -0.02 0.01 -0.10 -0.01 -0.00 -0.00 -0.07 -0.00 -0.00 -0.06 0.03 0.00 -0.05 -0.02 -0.00 -0.08 0.04 0.00 -0.00 -0.04 -0.00 -0.02 0.00 -0.00 0.02 -0.06 -0.01 -0.11 0.07 0.01 0.02 -0.10 -0.01 0.01 -0.00 -0.00 0.07 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 0.14 0.01 -0.00 -0.10 -0.00 -0.00 0.10 0.01 -0.00 -0.13 0.01 0.00 0.10 0.01 -0.01 -0.11 0.00 -0.01 -0.02 -0.00 -0.00 -0.10 0.01 -0.00 0.13 0.01 0.00 -0.10 0.01 -0.01 0.11 0.00 -0.00 0.02 0.01 -0.00 -0.10 -0.01 -0.00 0.07 -0.00 0.00 0.01 0.01 0.01 -0.14 0.01 -0.00 0.10 0.01 -0.00 0.10 -0.01 -0.00 -0.06 -0.00 -0.00 -0.06 -0.00 -0.00 0.06 -0.01 0.00 0.39 -0.01 0.00 -0.38 -0.01 0.00 0.15 0.01 0.00 -0.21 -0.01 0.00 -0.14 0.01 0.00 0.21 0.01 -0.01 -0.18 -0.02 -0.00 0.09 0.01 -0.01 0.17 -0.02 -0.00 -0.08 -0.01 -0.00 -0.01 -0.01 -0.01 -0.02 0.01 0.01 -0.01 0.01 -0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.03 0.03 -0.02 0.00 0.01 0.02 0.00 -0.02 -0.00 0.02 0.01 0.01 0.09 -0.04 -0.00 0.13 0.05 0.00 0.09 -0.08 -0.01 0.03 0.06 -0.00 0.02 -0.01 0.01 -0.03 -0.10 -0.02 0.17 -0.16 -0.04 -0.01 0.12 -0.01 -0.02 -0.02 0.02 -0.11 -0.01 -0.00 0.02 0.01 0.01 0.01 -0.01 -0.01 0.02 0.01 0.01 0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.03 0.01 0.02 -0.00 0.04 -0.02 -0.00 -0.03 -0.00 -0.02 0.01 0.01 -0.09 0.05 0.00 -0.09 -0.04 -0.00 -0.13 0.06 -0.00 -0.02 -0.08 -0.01 -0.03 -0.01 0.01 0.03 -0.10 -0.02 -0.17 0.12 -0.01 0.02 -0.16 -0.04 0.01 -0.02 0.02 0.11 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.10 0.01 0.01 0.11 0.00 0.00 0.02 0.00 0.01 0.10 0.00 -0.01 -0.06 -0.00 -0.00 -0.01 -0.01 0.01 0.14 0.00 0.01 -0.10 0.00 0.00 -0.10 0.00 -0.01 0.07 -0.00 -0.00 0.01 -0.01 0.01 -0.14 0.00 0.01 0.10 0.00 -0.00 0.10 0.00 0.01 -0.13 -0.00 0.01 0.10 0.01 0.01 -0.11 0.01 0.00 -0.02 0.00 -0.00 -0.10 0.00 0.01 0.13 -0.00 -0.01 -0.38 -0.00 -0.01 0.39 0.00 -0.00 -0.06 0.00 -0.00 0.06 0.01 0.01 0.18 0.00 -0.02 -0.09 0.01 0.01 -0.18 0.00 -0.02 0.09 -0.00 -0.01 0.15 -0.00 0.01 -0.21 -0.00 -0.01 -0.15 -0.00 0.01 0.21 -0.01 0.01 -0.09 0.00 -0.04 -0.13 -0.00 0.05 -0.09 0.01 -0.08 -0.03 0.00 0.06 -0.02 -0.01 -0.01 0.03 0.02 -0.10 -0.17 0.04 -0.16 0.01 0.01 0.12 0.02 -0.02 -0.02 0.11 0.00 -0.01 -0.01 0.01 -0.01 -0.02 -0.01 0.01 -0.01 0.01 0.01 -0.00 -0.01 0.01 -0.00 0.00 -0.01 0.00 0.01 -0.01 -0.03 0.02 0.03 0.00 -0.02 0.01 0.00 0.00 -0.02 0.02 -0.01 0.01 0.09 -0.00 0.05 0.09 0.00 -0.04 0.13 0.00 0.06 0.02 0.01 -0.08 0.03 -0.01 -0.01 -0.03 0.02 -0.10 0.17 0.01 0.12 -0.02 0.04 -0.16 -0.01 -0.02 -0.02 -0.11 0.00 -0.01 0.01 -0.01 0.01 0.01 0.01 -0.01 0.02 -0.01 0.01 0.00 0.01 0.01 0.00 0.00 -0.01 -0.00 0.01 -0.01 0.03 -0.02 0.01 -0.00 0.02 0.04 -0.00 0.00 -0.03 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.05 0.00 -0.05 -0.06 0.00 -0.05 -0.01 -0.00 0.00 0.05 -0.00 -0.05 -0.01 -0.00 -0.05 -0.00 -0.00 -0.06 0.05 -0.00 -0.01 0.05 0.00 -0.00 -0.05 -0.00 0.05 0.01 0.00 0.05 0.00 -0.00 0.06 -0.05 0.00 0.01 -0.05 -0.00 0.05 -0.00 0.00 -0.01 0.05 0.00 -0.00 0.05 0.00 0.05 0.06 0.00 0.05 0.01 0.00 -0.05 0.00 0.00 0.01 -0.05 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.06 0.04 0.00 -0.03 -0.06 0.00 -0.06 -0.04 0.00 0.03 0.06 0.00 0.04 -0.06 -0.00 -0.06 0.03 -0.00 -0.04 0.06 -0.00 0.06 -0.03 -0.01 -0.13 -0.01 -0.00 -0.06 -0.00 -0.00 -0.00 -0.00 0.00 0.09 0.01 0.00 0.08 0.01 0.00 -0.12 -0.01 -0.00 0.04 0.00 0.00 0.30 0.02 0.01 0.21 0.01 0.01 -0.19 -0.01 -0.01 -0.01 0.13 0.00 -0.00 0.06 0.00 -0.00 0.00 0.00 0.01 -0.09 -0.00 0.01 -0.08 -0.00 -0.01 0.12 0.00 0.00 -0.04 -0.00 0.02 -0.30 -0.01 0.01 -0.21 -0.01 -0.01 0.19 0.01 0.13 0.01 -0.00 0.00 0.00 -0.00 0.06 0.00 -0.00 -0.08 -0.01 0.00 -0.10 -0.01 0.00 0.12 0.01 -0.00 -0.04 -0.00 0.00 -0.21 -0.01 0.01 -0.30 -0.02 0.01 0.19 0.01 -0.01 0.01 -0.13 0.00 0.00 -0.00 -0.00 0.00 -0.06 0.00 -0.01 0.08 -0.00 -0.01 0.09 -0.00 0.01 -0.12 0.00 -0.00 0.04 -0.00 -0.01 0.21 -0.01 -0.02 0.30 -0.01 0.01 -0.19 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.05 -0.01 -0.01 -0.20 -0.00 0.00 0.05 -0.01 0.00 -0.02 -0.00 0.01 -0.02 0.00 0.00 0.05 0.01 -0.01 -0.20 -0.00 -0.00 0.05 0.01 -0.00 -0.02 0.00 -0.01 -0.02 -0.00 -0.00 0.05 -0.01 0.01 -0.20 0.00 0.00 0.05 -0.00 -0.01 -0.02 -0.01 -0.00 -0.02 -0.00 0.00 0.05 0.01 0.01 -0.20 0.00 -0.00 0.05 0.00 0.01 -0.02 0.01 0.00 -0.02 0.00 0.01 0.33 -0.00 -0.01 0.33 -0.01 0.00 0.33 0.01 -0.00 0.33 -0.01 0.00 -0.00 -0.00 0.02 -0.00 0.01 -0.00 -0.00 0.00 -0.02 -0.00 -0.00 -0.01 -0.00 -0.02 -0.00 -0.00 0.00 0.01 -0.00 0.02 0.00 -0.00 -0.00 0.00 -0.07 0.00 -0.03 -0.11 -0.00 0.04 -0.07 0.01 -0.06 -0.03 0.00 0.05 -0.01 -0.01 -0.00 0.02 0.01 -0.08 -0.15 0.03 -0.14 0.01 0.00 0.09 0.02 -0.01 -0.01 0.09 -0.00 -0.00 -0.07 0.03 0.00 -0.11 -0.04 -0.00 -0.07 0.06 0.01 -0.03 -0.05 0.00 -0.01 0.00 -0.01 0.02 0.08 0.01 -0.15 0.14 0.03 0.01 -0.09 0.00 0.02 0.01 -0.01 0.09 0.00 -0.00 -0.07 0.00 -0.04 -0.07 -0.00 0.03 -0.11 -0.00 -0.05 -0.01 -0.01 0.06 -0.03 0.01 0.00 0.02 -0.01 0.08 -0.15 -0.00 -0.09 0.02 -0.03 0.14 0.01 0.01 0.01 0.09 0.00 0.00 -0.07 0.04 0.00 -0.07 -0.03 -0.00 -0.11 0.05 -0.00 -0.01 -0.06 -0.01 -0.03 -0.00 0.01 0.02 -0.08 -0.01 -0.15 0.09 -0.00 0.02 -0.14 -0.03 0.01 -0.01 0.01 0.09 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 0.00 0.01 -0.00 0.00 0.01 0.00 0.00 0.05 -0.02 -0.02 0.01 -0.01 0.01 -0.00 0.01 0.03 -0.01 0.02 0.02 -0.01 0.02 0.02 0.01 -0.02 0.02 -0.01 0.01 0.01 0.00 0.03 -0.01 0.01 -0.02 -0.02 -0.01 -0.02 -0.02 0.01 0.02 -0.02 -0.01 -0.01 -0.01 0.00 -0.03 0.01 0.01 0.02 -0.02 0.01 0.02 -0.02 -0.01 0.02 0.02 0.01 0.01 -0.01 -0.00 -0.01 -0.03 -0.01 -0.02 0.02 0.01 -0.02 0.02 -0.01 0.01 -0.09 0.02 -0.01 0.09 0.02 -0.09 -0.01 -0.02 0.09 0.01 -0.02 0.01 0.02 -0.03 0.02 0.01 0.03 -0.01 -0.02 -0.03 -0.02 -0.01 0.03 0.02 -0.01 0.03 0.01 -0.02 -0.03 -0.02 0.01 0.03 -0.01 0.02 -0.03 -0.01 0.12 0.07 0.00 -0.07 0.17 -0.01 0.10 -0.01 0.01 -0.07 0.00 -0.00 0.09 -0.16 0.01 -0.13 -0.06 0.00 -0.10 0.15 -0.01 0.12 -0.08 -0.01 0.16 -0.12 0.01 -0.14 0.08 0.12 0.01 -0.07 -0.07 -0.00 -0.17 0.10 0.01 0.01 -0.07 -0.01 -0.00 0.09 0.00 0.16 -0.13 -0.01 0.06 -0.10 -0.00 -0.15 0.12 0.01 0.08 0.16 0.01 0.12 -0.14 -0.01 -0.08 0.01 -0.12 0.07 0.01 -0.10 -0.01 -0.00 0.07 0.17 0.00 -0.09 -0.16 -0.01 0.07 0.00 -0.01 0.13 -0.06 -0.00 0.10 0.15 0.01 -0.16 -0.12 0.01 -0.12 -0.08 -0.01 0.13 0.08 -0.12 -0.01 -0.07 -0.10 -0.01 0.01 0.07 0.00 -0.17 -0.09 -0.00 0.16 0.07 0.01 -0.00 0.13 0.01 0.06 0.10 0.00 -0.15 -0.16 -0.01 0.12 -0.12 -0.01 0.08 0.13 0.01 -0.08 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.03 0.02 0.03 0.04 -0.02 0.05 0.01 0.02 0.02 0.03 -0.00 -0.02 -0.01 0.00 -0.04 0.01 0.01 -0.02 0.02 -0.02 0.01 0.02 0.01 0.02 0.03 0.00 -0.02 -0.01 -0.00 -0.04 0.01 -0.01 -0.02 0.02 0.02 0.01 0.02 -0.01 0.03 -0.01 -0.00 -0.03 0.04 -0.00 -0.02 0.03 -0.02 0.03 0.04 0.02 0.05 0.01 -0.02 0.03 -0.01 0.00 -0.03 0.04 0.00 0.01 -0.04 0.02 0.01 -0.04 -0.02 -0.01 0.02 -0.00 -0.01 0.02 0.00 0.04 0.03 -0.04 -0.01 -0.06 -0.04 0.04 0.03 0.04 -0.01 -0.06 0.04 0.03 -0.08 0.05 -0.08 0.02 0.06 0.03 -0.08 -0.05 -0.08 0.02 -0.06 0.01 -0.10 -0.11 -0.01 0.11 -0.23 0.01 -0.15 -0.04 -0.01 0.10 0.04 0.01 -0.17 0.20 -0.01 0.10 0.08 -0.00 0.10 -0.24 0.02 -0.12 0.15 0.02 -0.21 0.18 -0.01 0.11 -0.15 -0.02 -0.01 0.02 0.02 -0.02 0.04 -0.03 -0.02 0.01 0.02 0.03 -0.01 -0.03 0.02 -0.04 0.02 -0.03 -0.02 0.02 -0.00 0.04 -0.03 0.09 -0.03 -0.04 0.08 -0.03 0.02 -0.03 0.03 0.01 -0.10 0.11 0.01 -0.15 0.04 -0.01 0.11 0.23 0.01 -0.17 -0.20 -0.01 0.10 -0.04 -0.01 0.10 -0.08 0.00 0.10 0.24 0.02 -0.21 -0.18 0.02 -0.12 -0.15 -0.01 0.11 0.15 -0.02 -0.01 -0.02 -0.03 -0.02 -0.01 0.02 -0.02 -0.04 -0.03 0.02 0.04 0.02 0.03 0.01 0.02 -0.03 0.02 0.02 -0.00 -0.04 -0.04 0.08 0.03 -0.03 0.09 0.03 0.02 -0.03 -0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.04 -0.01 -0.02 -0.02 0.02 -0.02 0.01 -0.01 0.01 0.03 0.00 -0.04 -0.03 0.00 -0.03 -0.02 0.02 -0.04 0.03 -0.02 -0.01 0.05 0.02 0.01 0.03 -0.00 -0.04 -0.03 -0.00 -0.03 -0.02 -0.02 -0.04 0.03 0.02 -0.01 0.05 -0.02 -0.03 0.02 -0.00 0.01 -0.02 0.00 -0.01 -0.04 0.01 -0.02 -0.02 -0.02 -0.02 0.01 0.01 -0.03 0.02 0.00 0.01 -0.02 -0.00 -0.02 -0.01 0.00 -0.02 -0.01 -0.00 0.04 0.01 0.02 0.04 0.01 -0.02 0.08 0.03 -0.05 -0.02 -0.08 -0.06 0.08 0.03 0.05 -0.02 -0.08 0.06 -0.03 0.04 -0.04 0.06 -0.01 -0.04 -0.03 0.04 0.04 0.06 -0.01 0.04 0.01 -0.02 -0.02 0.02 0.02 -0.04 0.02 -0.03 -0.01 -0.03 0.02 0.01 -0.02 -0.03 0.04 0.03 0.02 0.02 0.00 0.02 -0.04 -0.09 -0.03 0.03 -0.08 -0.04 0.03 0.03 0.02 -0.03 0.10 0.01 -0.11 -0.11 -0.01 -0.23 0.15 0.01 -0.04 -0.10 -0.01 0.04 0.17 0.01 0.20 -0.10 -0.01 0.08 -0.10 0.00 -0.24 0.12 0.02 0.15 0.21 0.02 0.18 -0.11 -0.01 -0.15 0.01 -0.02 0.02 0.02 -0.03 0.01 0.02 0.02 0.04 -0.02 -0.03 -0.04 -0.03 0.02 -0.01 0.03 0.02 -0.02 0.00 0.02 0.05 -0.08 -0.04 -0.03 -0.09 -0.03 -0.03 0.03 0.02 0.03 0.10 0.01 0.11 0.15 0.01 0.04 -0.11 -0.01 0.23 0.17 0.01 -0.20 -0.10 -0.01 -0.04 -0.10 -0.01 -0.08 -0.10 -0.00 0.24 0.21 0.02 -0.18 0.12 0.02 -0.15 -0.11 -0.01 0.15 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.03 0.01 0.02 0.03 -0.02 0.03 -0.00 0.01 0.01 0.03 0.00 -0.03 -0.01 0.00 -0.03 -0.01 0.01 -0.03 0.02 -0.02 0.00 0.03 0.01 -0.01 -0.03 0.00 0.03 0.01 0.00 0.03 0.01 0.01 0.03 -0.02 -0.02 -0.00 -0.03 0.01 -0.03 0.01 0.00 0.01 -0.03 0.00 0.01 -0.03 0.01 -0.02 -0.03 -0.02 -0.03 0.00 0.01 0.03 -0.01 0.00 -0.01 0.03 0.00 0.00 -0.01 0.02 -0.00 0.01 0.02 0.01 0.00 0.02 -0.01 -0.00 0.02 0.04 0.03 -0.04 -0.02 -0.05 -0.04 -0.04 -0.03 -0.04 0.02 0.05 -0.04 -0.03 0.04 -0.04 0.05 -0.02 -0.04 0.03 -0.04 -0.04 -0.05 0.02 -0.04 -0.01 0.05 0.09 0.00 -0.09 0.17 -0.01 0.12 0.05 0.01 -0.08 -0.05 -0.01 0.14 -0.14 0.00 -0.05 -0.06 -0.00 -0.06 0.19 -0.00 0.08 -0.12 -0.01 0.15 -0.14 -0.00 -0.06 0.13 -0.05 -0.01 0.09 0.09 0.00 0.17 -0.12 -0.01 0.05 0.08 0.01 -0.05 -0.14 -0.01 -0.14 0.05 0.00 -0.06 0.06 -0.00 0.19 -0.08 -0.00 -0.12 -0.15 -0.01 -0.14 0.06 -0.00 0.13 0.01 -0.05 0.09 0.01 -0.12 0.05 -0.00 0.09 0.17 0.01 -0.14 -0.14 -0.01 0.08 -0.05 -0.00 0.05 -0.06 0.00 0.06 0.19 0.00 -0.15 -0.13 0.00 -0.08 -0.12 0.00 0.06 0.13 0.05 0.01 0.09 0.12 0.01 0.05 -0.09 -0.00 0.17 0.14 0.01 -0.14 -0.08 -0.01 -0.05 -0.05 -0.00 -0.06 -0.06 0.00 0.19 0.15 0.01 -0.14 0.08 0.00 -0.12 -0.06 0.00 0.13 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.11 -0.01 -0.01 -0.14 -0.00 0.00 0.11 -0.00 0.00 0.10 0.00 -0.00 -0.10 -0.00 0.00 0.12 -0.00 -0.00 -0.00 0.00 -0.00 -0.11 -0.00 0.00 -0.10 0.00 -0.00 0.10 -0.00 0.00 -0.12 -0.00 -0.00 0.00 0.00 -0.00 0.11 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.12 -0.01 -0.01 0.14 -0.00 0.00 -0.11 -0.00 0.00 0.01 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.20 0.01 -0.01 -0.22 -0.00 0.00 -0.21 0.01 -0.01 0.21 -0.01 -0.00 0.40 -0.01 -0.01 0.40 -0.01 -0.00 -0.39 -0.01 -0.01 -0.39 -0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.02 -0.00 0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.02 -0.01 0.01 -0.01 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.02 -0.00 -0.01 -0.01 0.01 0.01 -0.01 0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.12 0.00 -0.00 0.00 0.00 0.00 0.11 -0.00 -0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.11 0.01 -0.01 -0.14 -0.00 -0.00 0.11 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.12 0.01 -0.01 0.14 -0.00 -0.00 -0.11 -0.00 -0.00 0.10 0.00 0.00 -0.10 -0.00 -0.00 0.12 0.00 -0.00 -0.00 0.00 0.00 -0.11 -0.00 -0.00 -0.10 0.00 0.00 0.10 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.39 0.01 -0.01 -0.39 0.00 -0.01 0.40 0.01 -0.01 0.40 -0.00 -0.00 0.20 0.01 0.01 -0.22 -0.00 -0.00 -0.21 0.01 0.01 0.21 -0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.02 0.00 0.01 0.01 0.01 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.02 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 0.00 -0.01 0.00 0.00 0.01 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.09 -0.00 -0.00 -0.13 0.00 0.00 0.08 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.09 -0.00 0.00 0.13 0.00 -0.00 -0.09 -0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.09 0.00 -0.00 0.12 -0.00 0.00 -0.08 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.09 0.00 0.00 -0.12 -0.00 -0.00 0.09 -0.00 0.00 0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.33 -0.01 0.01 0.34 0.01 -0.01 0.32 0.01 -0.01 0.33 0.01 0.01 -0.33 0.01 0.01 -0.33 -0.01 -0.01 -0.33 -0.01 -0.01 -0.34 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.17 0.00 -0.00 -0.00 -0.00 -0.00 -0.17 -0.00 0.00 0.12 0.00 -0.00 -0.12 -0.00 0.00 0.17 0.00 0.00 -0.00 0.00 -0.00 -0.17 0.00 -0.00 0.12 -0.00 0.00 -0.12 0.00 -0.00 0.17 -0.00 -0.00 -0.00 -0.00 0.00 -0.17 -0.00 -0.00 0.12 0.00 0.00 -0.12 -0.00 -0.00 0.17 -0.00 0.00 -0.00 0.00 0.00 -0.17 0.00 0.00 0.12 -0.00 -0.00 -0.12 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.28 0.01 -0.01 -0.29 0.01 -0.01 0.29 -0.01 0.01 -0.28 -0.01 -0.01 0.29 0.01 0.01 -0.28 0.01 0.01 0.28 -0.01 -0.01 -0.29 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.03 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.02 -0.00 -0.01 0.01 -0.00 0.02 0.03 0.01 0.02 0.02 0.00 0.02 0.02 -0.00 -0.02 0.02 0.00 0.01 0.01 0.00 0.03 -0.02 -0.01 -0.02 -0.02 0.00 -0.02 -0.02 -0.00 0.02 -0.02 0.00 -0.01 -0.01 0.00 -0.03 0.02 -0.01 0.02 -0.02 -0.00 0.02 -0.02 0.00 0.02 0.02 -0.00 0.01 -0.01 -0.00 -0.02 -0.03 0.01 -0.02 0.02 -0.00 -0.02 0.02 0.00 0.01 -0.09 -0.00 -0.01 0.09 -0.00 -0.09 -0.01 0.00 0.09 0.01 0.00 -0.00 0.02 0.02 0.02 0.00 -0.01 0.00 -0.02 0.01 -0.02 -0.00 -0.01 0.02 0.00 -0.02 0.00 -0.02 0.01 -0.02 -0.00 -0.02 -0.00 0.02 0.01 -0.01 0.11 -0.08 -0.01 0.10 -0.05 0.01 -0.06 -0.17 -0.01 0.07 0.16 0.01 -0.11 0.00 0.01 -0.14 0.02 0.01 -0.05 -0.15 -0.01 0.11 0.14 -0.01 0.02 0.09 0.01 -0.13 -0.16 0.11 0.01 0.08 0.10 0.01 0.05 -0.06 -0.01 0.17 0.07 0.01 -0.16 -0.11 -0.01 0.00 -0.14 -0.01 -0.02 -0.05 -0.01 0.15 0.11 0.01 -0.14 0.02 0.01 -0.09 -0.13 -0.02 0.16 0.01 -0.11 -0.08 -0.01 0.06 -0.17 0.01 -0.10 -0.05 -0.01 0.11 0.00 0.01 -0.07 0.16 -0.01 0.14 0.02 -0.01 0.05 -0.15 0.01 -0.02 0.09 0.01 -0.11 0.14 -0.02 0.13 -0.16 -0.11 -0.01 0.08 0.06 0.01 0.17 -0.10 -0.01 0.05 0.11 0.01 -0.00 -0.07 -0.01 -0.16 0.14 0.01 -0.02 0.05 0.01 0.15 -0.02 -0.01 -0.09 -0.11 -0.01 -0.14 0.13 0.01 0.16 0.01 0.00 -0.02 0.00 -0.01 0.02 -0.01 -0.00 -0.02 -0.00 0.01 0.02 0.00 -0.00 0.00 0.01 0.06 0.01 0.02 0.03 -0.00 0.01 -0.03 -0.01 -0.01 -0.03 0.01 0.04 0.04 -0.00 0.02 0.03 0.01 0.03 -0.03 0.00 0.02 -0.06 -0.01 -0.01 -0.03 -0.01 0.04 0.04 0.00 0.02 0.03 -0.01 0.03 -0.03 -0.00 0.02 -0.06 0.01 0.05 -0.03 -0.00 -0.01 0.02 0.01 0.01 0.06 -0.01 0.02 0.03 -0.00 0.01 -0.03 0.01 0.05 -0.03 0.00 -0.01 0.02 -0.01 0.04 0.01 -0.00 0.04 0.01 0.00 -0.10 -0.01 -0.01 -0.10 -0.01 0.01 -0.11 -0.03 -0.02 0.04 0.09 -0.04 -0.11 -0.03 0.02 0.04 0.09 0.04 0.05 -0.07 -0.05 -0.10 0.01 -0.01 0.05 -0.07 0.05 -0.10 0.01 0.00 0.03 0.01 -0.00 -0.04 0.01 -0.00 -0.05 -0.01 -0.02 0.04 0.01 0.02 0.03 -0.00 -0.00 -0.05 -0.02 -0.00 -0.03 -0.01 -0.01 0.13 0.02 0.01 0.14 0.02 0.01 -0.01 -0.01 -0.01 -0.17 -0.01 -0.08 -0.12 -0.00 -0.01 0.04 0.01 -0.21 -0.08 -0.02 0.21 0.10 0.01 -0.05 0.21 0.02 0.01 0.08 0.01 -0.14 -0.19 -0.03 0.16 -0.10 -0.02 0.08 0.19 0.02 -0.18 0.03 0.01 0.00 -0.04 -0.01 0.02 -0.04 0.00 0.00 0.03 -0.00 0.00 0.04 0.01 -0.01 -0.05 -0.02 0.00 -0.03 -0.01 0.01 0.14 0.02 -0.01 0.13 0.02 -0.01 -0.01 -0.01 0.01 -0.17 -0.01 0.08 0.04 0.01 0.21 -0.12 -0.00 0.01 0.10 0.01 0.05 -0.08 -0.01 -0.21 0.21 0.02 -0.01 0.08 0.01 0.14 -0.10 -0.02 -0.08 -0.19 -0.03 -0.16 0.19 0.02 0.18 -0.01 -0.00 0.02 -0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.03 0.02 -0.01 0.03 0.03 -0.00 0.06 0.02 0.01 0.03 0.05 0.00 -0.02 -0.01 -0.01 -0.06 0.01 0.01 -0.03 0.02 0.00 0.03 0.01 -0.01 0.03 0.05 -0.00 -0.02 -0.01 0.01 -0.06 0.01 -0.01 -0.03 0.02 0.00 0.03 0.01 0.01 0.03 -0.01 0.01 -0.04 0.04 -0.00 -0.03 0.02 0.01 0.03 0.03 0.00 0.06 0.02 -0.01 0.03 -0.01 -0.01 -0.04 0.04 0.00 0.01 -0.10 0.01 0.01 -0.10 -0.01 -0.01 0.04 -0.00 -0.01 0.04 0.00 0.07 0.05 0.05 -0.01 -0.10 0.01 0.07 0.05 -0.05 -0.01 -0.10 -0.00 0.03 -0.11 -0.02 -0.09 0.04 -0.04 0.03 -0.11 0.02 -0.09 0.04 0.04 0.01 -0.17 0.08 0.00 -0.12 0.01 -0.01 0.04 0.21 0.01 -0.08 -0.21 -0.01 0.10 0.05 -0.02 0.21 -0.01 -0.01 0.08 0.14 0.03 -0.19 -0.16 0.02 -0.10 -0.08 -0.02 0.19 0.18 -0.01 0.03 -0.00 -0.01 -0.04 -0.00 0.01 -0.05 -0.02 -0.01 0.04 0.02 0.00 0.03 -0.00 0.02 -0.05 -0.00 0.01 -0.03 -0.01 -0.02 0.13 0.01 -0.02 0.14 0.01 0.01 -0.01 -0.01 0.01 -0.17 -0.08 -0.01 0.04 -0.21 0.00 -0.12 -0.01 -0.01 0.10 -0.05 0.02 -0.08 0.21 -0.02 0.21 0.01 -0.01 0.08 -0.14 0.02 -0.10 0.08 0.03 -0.19 0.16 -0.02 0.19 -0.18 -0.01 0.03 0.00 0.01 -0.05 0.02 -0.00 -0.04 0.00 0.00 0.03 0.00 -0.01 0.04 -0.02 0.02 -0.05 0.00 0.01 -0.03 0.01 -0.02 0.14 -0.01 -0.02 0.13 -0.01 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.01 0.02 -0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.00 -0.01 -0.00 -0.01 0.01 -0.04 0.01 0.01 0.05 0.01 -0.00 -0.04 0.00 0.01 -0.04 -0.01 -0.01 -0.04 -0.01 -0.01 -0.04 -0.01 0.01 0.05 0.00 0.01 -0.04 -0.00 -0.01 -0.04 0.01 0.01 -0.04 0.01 0.01 -0.03 0.01 -0.01 0.05 -0.00 -0.01 -0.04 -0.01 0.00 -0.04 0.01 -0.01 -0.04 0.01 -0.01 -0.03 -0.01 -0.01 0.05 -0.01 0.00 -0.04 0.01 -0.00 -0.04 -0.01 0.01 -0.04 -0.00 -0.01 0.04 0.00 0.01 0.04 0.01 -0.00 0.04 -0.01 0.00 0.04 0.01 0.02 0.34 -0.02 -0.01 0.34 -0.01 -0.02 0.34 0.02 0.01 0.34 -0.02 0.01 0.34 0.01 -0.02 0.34 0.02 -0.01 0.34 -0.01 0.02 0.34 -0.00 0.03 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.03 -0.00 0.01 0.03 0.00 -0.00 -0.02 0.00 -0.03 0.00 0.00 -0.02 -0.02 0.00 0.03 0.02 0.00 0.03 0.01 0.00 -0.03 -0.01 -0.03 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.03 -0.01 -0.00 0.03 0.00 0.00 -0.02 0.03 0.00 0.00 0.02 0.00 -0.01 -0.03 0.00 0.02 -0.03 0.00 0.01 0.03 0.00 -0.01 0.00 -0.03 -0.01 0.00 -0.00 -0.03 0.00 -0.01 0.00 -0.00 0.00 -0.02 0.00 -0.01 0.03 -0.00 0.03 0.00 -0.00 0.02 -0.02 -0.00 -0.03 0.01 -0.00 -0.03 0.02 -0.00 0.03 -0.01 0.03 0.00 -0.01 0.00 0.00 -0.03 0.01 0.00 0.00 -0.00 -0.00 -0.02 0.01 0.00 0.03 -0.03 -0.00 0.00 -0.02 -0.00 -0.02 0.03 -0.00 0.01 0.03 -0.00 0.02 -0.03 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.02 -0.03 -0.03 -0.03 -0.03 0.04 -0.03 0.01 -0.02 -0.01 -0.05 -0.02 0.05 0.01 -0.02 0.03 0.02 -0.03 0.03 -0.03 0.04 -0.01 -0.03 -0.02 0.01 0.05 -0.02 -0.05 -0.01 -0.02 -0.03 -0.02 -0.02 -0.03 0.03 0.04 0.01 0.03 -0.02 0.05 -0.01 -0.02 -0.01 0.05 -0.02 -0.02 0.03 -0.02 0.03 0.03 0.04 0.03 -0.01 -0.02 -0.05 0.01 -0.02 0.01 -0.05 -0.02 -0.01 0.04 0.03 0.01 -0.04 0.03 -0.04 -0.01 0.03 0.04 0.01 0.03 -0.07 -0.04 0.22 0.03 0.08 0.23 0.07 0.04 0.22 -0.03 -0.08 0.23 0.04 -0.07 0.22 -0.08 0.03 0.23 -0.04 0.07 0.22 0.08 -0.03 0.23 0.01 -0.09 0.03 0.00 -0.06 -0.02 -0.01 0.01 0.11 0.01 -0.05 -0.12 -0.00 0.04 0.05 -0.01 0.12 -0.00 -0.01 0.04 0.05 0.02 -0.13 -0.08 0.02 -0.08 -0.03 -0.01 0.11 0.09 0.09 0.01 0.03 0.06 0.00 -0.02 -0.01 -0.01 0.11 0.05 0.01 -0.12 -0.04 -0.00 0.05 -0.12 -0.01 -0.00 -0.04 -0.01 0.05 0.13 0.02 -0.08 0.08 0.02 -0.03 -0.11 -0.01 0.09 -0.01 0.09 0.03 0.01 -0.01 0.11 -0.00 0.06 -0.02 0.00 -0.04 0.05 -0.01 0.05 -0.12 0.01 -0.12 -0.00 0.01 -0.04 0.05 -0.02 0.08 -0.03 -0.02 0.13 -0.08 0.01 -0.11 0.09 -0.09 -0.01 0.03 0.01 0.01 0.11 -0.06 -0.00 -0.02 0.04 0.00 0.05 -0.05 -0.01 -0.12 0.12 0.01 -0.00 0.04 0.01 0.05 -0.08 -0.02 -0.03 -0.13 -0.02 -0.08 0.11 0.01 0.09 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.04 0.00 -0.00 0.04 -0.00 -0.00 -0.02 -0.00 0.00 0.05 0.00 -0.00 -0.06 -0.00 0.00 0.12 0.00 0.00 0.00 0.00 -0.00 -0.12 -0.00 0.00 -0.05 0.00 -0.00 0.06 -0.00 0.00 -0.12 0.00 0.00 -0.00 0.00 -0.00 0.12 -0.00 -0.00 0.05 -0.00 -0.00 0.05 -0.00 -0.00 0.03 0.00 -0.00 -0.04 -0.00 -0.00 0.02 -0.00 -0.00 -0.05 -0.00 -0.00 -0.05 -0.00 0.00 0.09 -0.00 0.00 -0.09 0.00 -0.00 -0.08 0.00 -0.00 0.08 -0.00 0.00 0.22 0.00 -0.00 -0.14 -0.00 0.00 -0.21 0.00 -0.00 0.14 0.01 0.01 -0.42 0.02 0.01 -0.44 0.01 0.01 0.42 0.02 0.01 0.44 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.01 0.00 -0.00 0.01 0.01 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.01 0.02 0.01 -0.00 -0.02 0.00 -0.00 -0.00 -0.03 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.02 -0.00 -0.01 -0.02 0.00 -0.00 0.00 -0.00 0.02 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.02 -0.01 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.02 -0.00 -0.01 0.02 -0.01 -0.00 -0.00 0.03 0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.02 -0.00 0.00 0.02 -0.00 0.01 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.12 0.00 -0.00 0.00 -0.00 -0.00 -0.12 -0.00 0.00 0.05 -0.00 0.00 0.05 -0.00 0.00 0.03 -0.00 -0.00 -0.04 -0.00 0.00 0.02 -0.00 0.00 -0.05 -0.00 0.00 -0.05 -0.00 0.00 -0.04 -0.00 -0.00 0.05 -0.00 0.00 -0.02 0.00 0.00 -0.05 -0.00 -0.00 0.06 0.00 0.00 -0.12 0.00 -0.00 -0.00 -0.00 -0.00 0.12 0.00 0.00 0.05 -0.00 -0.00 -0.06 -0.00 -0.00 -0.08 -0.00 -0.00 0.08 0.00 0.00 -0.09 0.00 0.00 0.09 0.01 -0.01 -0.42 0.01 -0.02 -0.44 0.01 -0.01 0.42 0.01 -0.02 0.44 0.00 0.00 -0.21 -0.00 -0.00 0.14 0.00 0.00 0.22 -0.00 -0.00 -0.14 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.02 -0.01 -0.00 0.02 -0.00 -0.00 -0.00 0.02 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.02 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.02 0.01 -0.01 -0.02 0.00 -0.00 -0.00 0.00 0.03 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.01 -0.00 0.01 0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.02 0.00 -0.00 -0.02 0.01 -0.00 -0.00 -0.02 0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.01 -0.01 0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.02 0.00 0.00 0.02 0.01 0.01 -0.00 0.00 -0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 -0.04 0.00 0.05 -0.04 -0.00 0.04 0.03 -0.00 -0.02 -0.00 0.00 0.00 -0.02 0.00 0.04 -0.03 0.00 0.04 0.05 -0.00 -0.03 0.04 -0.00 0.02 0.00 0.00 -0.00 0.02 0.00 -0.04 0.03 0.00 -0.04 -0.05 -0.00 0.03 -0.04 -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 0.03 0.04 0.00 -0.05 0.04 -0.00 -0.04 -0.03 -0.00 -0.00 0.02 0.00 -0.02 -0.00 0.00 -0.10 -0.01 -0.00 0.10 0.01 -0.00 0.01 -0.10 -0.00 -0.01 0.10 -0.00 0.03 -0.00 -0.02 -0.01 0.03 -0.03 -0.03 0.00 -0.01 0.01 -0.03 -0.03 0.00 0.03 -0.01 -0.03 -0.01 -0.03 -0.00 -0.03 -0.01 0.03 0.01 -0.03 0.14 0.01 0.00 -0.09 -0.00 -0.00 -0.12 -0.01 -0.01 0.08 0.01 0.01 0.07 0.00 0.00 -0.10 -0.01 -0.00 -0.15 -0.01 -0.00 0.23 0.02 0.01 0.29 0.02 0.01 -0.02 -0.00 -0.00 -0.01 0.14 0.00 0.00 -0.09 -0.00 0.01 -0.12 -0.01 -0.01 0.08 0.01 -0.00 0.07 0.00 0.01 -0.10 -0.00 0.01 -0.16 -0.01 -0.02 0.23 0.01 -0.02 0.29 0.01 0.00 -0.02 -0.00 -0.14 -0.01 0.00 0.12 0.01 -0.01 0.09 0.00 -0.00 -0.07 -0.00 0.00 -0.08 -0.01 0.01 0.10 0.01 -0.00 0.15 0.01 -0.01 -0.29 -0.02 0.01 -0.23 -0.02 0.01 0.02 0.00 -0.00 0.01 -0.14 0.00 -0.01 0.12 -0.01 -0.00 0.09 -0.00 0.00 -0.07 0.00 0.01 -0.08 0.01 -0.01 0.10 -0.00 -0.01 0.15 -0.01 0.02 -0.29 0.01 0.02 -0.23 0.01 -0.00 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.18 -0.00 -0.00 -0.00 -0.00 -0.00 -0.17 0.00 -0.00 -0.07 -0.00 0.00 0.08 0.00 -0.00 -0.18 -0.00 -0.00 0.00 -0.00 0.00 0.17 -0.00 0.00 -0.07 0.00 -0.00 0.08 -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 -0.00 0.17 -0.00 -0.00 0.07 0.00 0.00 -0.08 -0.00 -0.00 0.18 0.00 0.00 -0.00 0.00 0.00 -0.17 0.00 0.00 0.07 -0.00 -0.00 -0.08 0.00 -0.00 -0.18 -0.00 0.00 -0.18 -0.00 -0.00 0.18 0.01 0.00 0.18 0.00 -0.01 -0.29 -0.01 0.01 0.23 -0.00 0.01 -0.29 0.01 -0.01 0.23 -0.01 -0.00 0.29 0.01 0.01 -0.23 0.01 0.00 0.29 -0.01 -0.01 -0.23 -0.00 -0.00 0.01 0.00 0.01 0.02 0.00 -0.01 0.02 -0.00 0.02 0.01 -0.00 -0.02 0.01 0.00 0.00 -0.01 -0.00 0.02 0.03 -0.01 0.04 0.00 -0.01 -0.04 0.00 -0.00 0.01 -0.04 -0.00 0.00 -0.01 0.01 -0.00 -0.02 -0.01 -0.00 -0.02 0.02 0.00 -0.01 -0.02 -0.00 -0.01 0.00 -0.00 0.01 0.02 0.00 -0.03 0.04 0.01 -0.00 -0.04 0.00 -0.00 0.01 0.00 0.04 0.00 0.00 0.01 -0.00 0.01 0.02 -0.00 -0.01 0.02 0.00 0.02 0.01 0.00 -0.02 0.01 -0.00 -0.01 -0.01 0.00 -0.02 0.03 0.01 0.04 0.00 0.01 -0.04 0.00 0.00 -0.01 -0.04 0.00 -0.00 -0.01 0.01 0.00 -0.02 -0.01 0.00 -0.02 0.02 0.00 -0.01 -0.02 -0.00 -0.01 -0.00 0.00 0.01 -0.02 -0.00 -0.03 0.04 -0.00 -0.00 -0.04 -0.01 -0.00 -0.01 -0.00 0.04 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 -0.00 0.00 -0.02 0.00 0.00 0.03 -0.01 0.02 -0.04 -0.00 0.05 0.00 0.00 -0.00 0.03 -0.00 0.00 -0.02 0.00 0.00 -0.03 0.00 0.02 -0.04 0.00 0.05 0.00 -0.00 -0.00 0.03 0.00 0.00 -0.02 -0.00 0.00 -0.03 -0.00 -0.05 -0.01 -0.00 -0.01 -0.05 -0.00 0.00 -0.03 0.00 0.00 -0.02 -0.00 0.00 0.03 0.01 -0.05 -0.01 0.00 -0.01 -0.05 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.06 0.00 -0.00 0.06 -0.00 -0.01 -0.04 0.01 0.05 -0.00 0.03 -0.01 -0.04 -0.01 0.05 -0.00 -0.03 -0.05 -0.01 -0.00 0.02 -0.04 0.00 -0.05 -0.01 0.00 0.02 -0.04 -0.00 -0.00 0.02 -0.01 -0.00 0.02 0.01 0.00 0.01 -0.03 -0.00 0.01 0.03 0.00 0.00 -0.02 0.00 -0.04 -0.00 0.00 -0.01 -0.01 -0.00 0.05 0.02 -0.00 0.04 0.00 0.00 -0.03 -0.02 -0.02 0.22 0.01 0.00 -0.08 -0.00 0.01 -0.19 -0.01 -0.01 0.13 0.01 -0.01 0.11 0.00 0.01 -0.09 -0.00 0.04 -0.46 -0.01 0.00 -0.05 0.00 -0.01 0.19 0.01 0.02 -0.29 -0.01 -0.00 0.02 0.01 -0.00 0.01 0.03 -0.00 0.02 -0.01 0.00 0.00 0.02 -0.00 0.01 -0.03 0.00 -0.03 0.00 -0.00 -0.01 0.01 -0.00 0.04 -0.00 -0.00 0.05 -0.02 0.00 -0.03 0.02 -0.02 0.22 -0.01 0.01 -0.19 0.01 0.00 -0.08 0.00 -0.01 0.11 -0.00 -0.01 0.13 -0.00 0.01 -0.09 0.00 0.03 -0.46 0.01 -0.01 0.19 -0.01 0.00 -0.04 -0.00 0.02 -0.28 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.03 0.00 -0.00 -0.02 -0.00 0.00 -0.03 -0.00 0.00 -0.01 0.05 -0.00 -0.05 0.01 -0.00 -0.03 -0.00 0.00 -0.02 -0.00 -0.00 0.03 -0.00 0.01 -0.01 0.05 0.00 -0.05 0.01 0.00 -0.03 -0.00 -0.00 -0.02 -0.00 0.00 0.03 -0.00 -0.01 -0.04 -0.02 0.00 0.00 -0.05 -0.00 0.03 0.00 0.00 -0.02 -0.00 -0.00 -0.03 -0.00 -0.00 -0.04 -0.02 -0.00 0.00 -0.05 0.00 0.06 0.00 0.00 0.06 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.05 -0.00 -0.04 -0.02 0.00 -0.01 0.05 0.00 -0.04 -0.02 -0.00 -0.04 0.01 -0.01 -0.00 -0.05 -0.03 -0.04 0.01 0.01 -0.00 -0.05 0.03 0.22 0.02 0.00 -0.08 -0.01 -0.00 -0.19 -0.01 -0.01 0.13 0.01 0.00 0.11 0.01 0.00 -0.09 -0.01 -0.00 -0.46 -0.03 -0.01 -0.04 -0.00 0.00 0.19 0.01 0.01 -0.28 -0.02 -0.01 0.02 0.00 0.01 0.02 0.00 -0.01 0.01 0.00 0.03 0.01 0.00 -0.03 0.00 -0.00 0.02 -0.04 -0.00 0.00 -0.01 0.00 0.01 0.05 0.00 -0.02 0.04 0.00 -0.00 -0.03 -0.00 0.02 0.22 0.02 -0.01 -0.19 -0.01 0.01 -0.08 -0.00 0.00 0.11 0.01 -0.00 0.13 0.01 -0.01 -0.09 -0.01 0.00 -0.46 -0.03 0.01 0.19 0.01 -0.01 -0.04 -0.00 -0.00 -0.28 -0.02 0.01 0.02 0.00 -0.01 0.01 -0.00 -0.03 0.02 0.00 0.01 0.00 -0.00 -0.02 0.01 0.00 0.03 -0.04 -0.00 -0.00 -0.01 -0.00 -0.01 0.04 0.00 0.00 0.05 0.01 0.02 -0.03 -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.01 -0.01 0.02 0.01 -0.02 0.00 0.01 -0.01 -0.01 -0.01 -0.01 0.01 0.01 0.00 0.01 -0.01 0.01 -0.02 0.01 0.02 -0.00 0.01 0.01 0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.02 0.01 -0.01 0.00 0.02 -0.01 -0.01 0.01 0.01 0.01 0.01 -0.01 0.01 -0.00 0.01 -0.02 -0.01 -0.01 -0.00 -0.02 -0.01 0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.01 0.02 -0.06 -0.02 -0.01 -0.07 -0.01 -0.02 -0.06 0.02 0.01 -0.07 0.02 -0.01 0.06 -0.01 0.02 0.07 -0.02 0.01 0.06 0.01 -0.02 0.07 -0.09 -0.01 -0.00 0.02 0.00 0.00 0.10 0.01 0.00 -0.07 -0.01 -0.00 -0.06 -0.00 -0.00 0.02 0.00 0.00 0.31 0.02 0.01 0.18 0.01 0.00 0.02 0.00 0.00 0.28 0.02 0.01 -0.01 0.09 0.00 0.00 -0.02 -0.00 0.01 -0.10 -0.00 -0.01 0.07 0.00 -0.00 0.06 0.00 0.00 -0.02 -0.00 0.02 -0.31 -0.01 0.01 -0.18 -0.00 0.00 -0.02 -0.00 0.02 -0.28 -0.01 0.09 0.01 -0.00 -0.10 -0.01 0.00 -0.02 -0.00 0.00 0.06 0.00 -0.00 0.07 0.01 -0.00 -0.02 -0.00 0.00 -0.31 -0.02 0.01 -0.02 -0.00 0.00 -0.18 -0.01 0.00 -0.28 -0.02 0.01 0.01 -0.09 0.00 -0.01 0.10 -0.00 -0.00 0.02 -0.00 0.00 -0.06 0.00 0.01 -0.07 0.00 -0.00 0.02 -0.00 -0.02 0.31 -0.01 -0.00 0.02 -0.00 -0.01 0.18 -0.00 -0.02 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.07 0.00 -0.00 0.05 -0.00 -0.00 -0.08 0.00 0.00 -0.07 -0.00 -0.00 -0.06 -0.00 -0.00 0.07 -0.00 -0.00 -0.05 -0.00 0.00 0.08 -0.00 -0.00 -0.07 0.00 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 -0.05 0.00 -0.00 0.08 0.00 -0.00 0.07 -0.00 0.00 0.06 -0.00 0.00 -0.07 -0.00 0.00 0.05 0.00 0.00 -0.08 -0.00 0.00 0.07 0.00 -0.00 0.06 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.33 -0.01 0.01 0.34 0.01 -0.01 0.32 0.01 -0.01 0.34 0.01 0.01 -0.33 0.01 0.01 -0.34 -0.01 -0.01 -0.33 -0.01 -0.01 -0.34 -0.02 -0.00 -0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.03 0.00 0.00 -0.00 0.02 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.04 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.03 0.00 0.02 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.03 -0.00 -0.00 0.00 -0.02 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.05 -0.00 -0.00 0.04 0.00 0.00 0.04 0.00 0.00 0.02 0.00 0.00 -0.22 -0.02 -0.01 -0.27 -0.02 -0.01 -0.16 -0.01 -0.00 -0.30 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.04 -0.00 -0.00 0.04 0.00 -0.00 0.04 0.00 -0.00 0.02 0.00 0.02 -0.22 -0.01 0.02 -0.27 -0.01 0.01 -0.16 -0.00 0.02 -0.30 -0.01 -0.00 -0.00 -0.00 0.05 0.00 -0.00 -0.01 -0.00 0.00 -0.04 -0.00 0.00 -0.04 -0.00 0.00 -0.02 -0.00 0.00 0.22 0.02 -0.01 0.16 0.01 -0.00 0.28 0.02 -0.01 0.31 0.02 -0.01 0.00 -0.00 0.00 -0.00 0.04 -0.00 0.00 -0.01 0.00 0.00 -0.04 0.00 0.00 -0.04 0.00 0.00 -0.02 0.00 -0.02 0.22 -0.01 -0.01 0.16 -0.00 -0.02 0.27 -0.01 -0.02 0.31 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.01 -0.01 0.00 0.01 0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.00 0.01 -0.01 0.00 -0.02 -0.01 -0.00 -0.01 -0.03 -0.00 0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.02 -0.01 0.00 -0.01 -0.03 0.00 0.02 -0.00 0.00 0.02 -0.00 -0.00 -0.00 0.03 -0.00 -0.00 0.03 0.00 -0.01 -0.00 0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.01 -0.02 -0.01 0.01 -0.00 -0.02 0.01 -0.02 -0.01 -0.01 -0.00 -0.02 -0.01 0.03 0.01 -0.00 -0.02 0.00 0.00 0.01 0.00 -0.01 -0.02 0.00 0.01 -0.02 -0.00 -0.01 -0.03 -0.01 -0.00 0.12 0.01 0.00 0.21 0.03 0.01 0.15 0.02 0.00 0.22 0.01 0.00 -0.00 0.04 0.00 0.00 -0.03 -0.00 -0.00 0.02 0.00 0.00 -0.03 -0.01 0.00 -0.03 0.00 -0.00 -0.05 -0.00 -0.02 0.19 0.01 -0.02 0.35 0.01 -0.01 0.25 0.01 -0.03 0.35 0.01 0.03 0.01 0.00 0.01 0.00 0.01 -0.02 0.00 -0.00 -0.02 -0.00 0.01 -0.02 0.00 -0.01 -0.03 -0.01 0.00 0.12 0.01 -0.00 0.15 0.02 -0.00 0.21 0.03 -0.01 0.21 0.01 -0.00 -0.00 0.04 -0.00 -0.00 0.02 -0.00 0.00 -0.03 0.00 0.00 -0.03 -0.00 0.00 -0.03 0.01 -0.00 -0.05 0.00 -0.02 0.19 -0.00 -0.01 0.25 -0.01 -0.02 0.35 -0.01 -0.03 0.36 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 0.02 -0.00 -0.03 0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.01 0.02 0.00 -0.03 0.01 0.00 -0.01 -0.01 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.01 0.00 0.01 0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.00 0.03 0.00 -0.00 0.03 0.00 0.00 -0.00 -0.02 -0.00 -0.00 -0.02 0.00 -0.01 0.02 0.01 -0.02 0.00 0.01 -0.01 0.02 -0.01 -0.02 0.00 -0.01 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 0.01 -0.01 -0.01 0.01 0.04 0.00 0.00 -0.03 -0.00 -0.00 0.02 0.00 0.00 -0.03 -0.00 -0.01 -0.03 -0.00 0.00 -0.05 0.00 -0.00 0.19 0.02 0.00 0.35 0.02 0.01 0.25 0.01 0.01 0.36 0.03 0.01 0.01 -0.03 0.00 0.00 0.02 -0.00 0.00 -0.01 0.01 0.00 0.02 -0.01 -0.00 0.02 0.01 -0.01 0.03 0.00 0.01 -0.12 -0.00 0.03 -0.21 -0.01 0.02 -0.15 -0.00 0.01 -0.22 -0.00 0.04 0.00 -0.00 0.02 0.00 -0.00 -0.03 -0.00 0.00 -0.03 -0.00 -0.00 -0.03 -0.00 0.01 -0.05 0.00 0.00 0.19 0.02 -0.01 0.25 0.01 -0.01 0.35 0.02 -0.01 0.35 0.03 -0.01 0.01 -0.03 -0.00 0.00 -0.01 -0.01 0.00 0.02 0.00 -0.00 0.02 -0.01 0.00 0.02 0.01 -0.01 0.03 -0.00 0.01 -0.12 0.00 0.02 -0.15 0.00 0.03 -0.21 0.01 0.01 -0.22 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.01 -0.01 0.03 0.00 -0.03 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.00 0.01 0.01 -0.00 0.01 -0.03 0.00 0.03 -0.00 0.00 0.01 0.01 -0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.01 0.03 0.01 -0.00 0.00 0.03 0.00 -0.01 0.01 -0.00 0.01 0.01 -0.00 0.01 -0.01 0.00 -0.03 -0.01 -0.00 -0.00 -0.03 -0.00 0.02 0.00 0.00 -0.02 -0.00 0.00 0.00 -0.02 -0.00 -0.00 0.02 -0.00 0.00 0.03 -0.00 -0.03 -0.00 -0.01 -0.00 -0.03 -0.01 0.03 0.00 -0.02 0.03 0.00 0.00 -0.00 0.03 0.01 -0.03 0.00 0.01 0.00 -0.03 0.02 -0.09 -0.01 -0.00 0.04 0.00 0.00 0.02 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.06 0.00 0.00 -0.07 -0.01 -0.00 -0.29 -0.02 -0.01 -0.26 -0.02 -0.01 -0.27 -0.02 -0.01 -0.01 0.09 0.00 0.00 -0.04 -0.00 0.00 -0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.06 -0.00 -0.01 0.07 0.00 -0.02 0.29 0.01 -0.02 0.26 0.01 -0.02 0.27 0.01 0.09 0.01 -0.00 -0.02 -0.00 0.00 -0.04 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.06 -0.00 0.00 0.07 0.01 -0.00 0.26 0.02 -0.01 0.29 0.02 -0.01 0.27 0.02 -0.01 0.01 -0.09 0.00 -0.00 0.02 -0.00 -0.00 0.04 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.06 -0.00 0.01 -0.07 0.00 0.02 -0.26 0.01 0.02 -0.29 0.01 0.02 -0.27 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.11 0.00 0.00 0.09 -0.00 -0.00 -0.15 0.00 0.00 -0.03 -0.00 -0.00 -0.05 -0.00 0.00 0.10 0.00 -0.00 -0.04 -0.00 0.00 0.02 0.00 0.00 0.03 -0.00 -0.00 0.05 -0.00 0.00 -0.10 0.00 -0.00 0.04 -0.00 0.00 -0.02 0.00 0.00 -0.09 0.00 0.00 -0.08 -0.00 -0.00 0.11 0.00 0.00 -0.09 -0.00 -0.00 0.16 0.00 0.00 0.09 0.00 0.00 0.08 0.00 0.00 0.04 -0.00 0.00 -0.04 0.00 -0.00 -0.11 0.00 -0.00 0.11 -0.00 0.01 0.24 -0.01 0.01 0.11 -0.00 0.01 -0.24 -0.01 0.01 -0.12 -0.01 -0.01 0.37 -0.02 -0.01 0.45 -0.01 -0.01 -0.37 -0.02 -0.01 -0.44 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.02 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.01 -0.01 -0.02 0.02 -0.02 -0.00 -0.02 -0.02 0.00 0.01 -0.03 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.01 0.00 -0.01 0.01 0.00 -0.01 0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.01 0.00 0.00 0.01 -0.01 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -0.00 0.01 -0.01 0.02 -0.02 -0.03 -0.00 0.03 -0.03 0.00 0.01 -0.03 -0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.10 -0.00 -0.00 -0.04 0.00 -0.00 0.02 0.00 -0.01 -0.09 0.00 -0.00 -0.08 -0.00 0.00 0.11 0.00 -0.00 -0.09 -0.00 0.00 0.16 0.00 -0.00 0.09 0.00 -0.00 0.08 -0.00 0.00 -0.11 0.00 -0.00 0.08 -0.00 0.00 -0.15 0.00 -0.00 0.03 -0.00 -0.00 0.05 0.00 0.00 -0.10 -0.00 -0.00 0.04 0.00 0.00 -0.02 0.00 -0.00 -0.03 -0.00 0.00 -0.05 -0.00 -0.00 -0.11 -0.00 -0.00 0.11 0.00 0.00 -0.04 0.00 -0.00 0.04 -0.01 0.01 0.37 -0.01 0.02 0.44 -0.01 0.01 -0.37 -0.01 0.02 -0.45 0.01 0.00 -0.24 0.01 0.00 -0.11 0.01 0.00 0.24 0.01 0.01 0.12 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.00 -0.01 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.02 -0.02 -0.02 -0.00 -0.02 0.02 0.00 -0.02 -0.01 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 0.01 0.00 -0.01 0.01 0.00 0.00 0.01 0.01 -0.01 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 0.01 0.00 0.01 0.01 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.02 -0.03 0.02 -0.00 -0.03 -0.03 0.00 -0.03 -0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.02 -0.00 0.01 0.02 -0.00 0.00 0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.14 -0.00 -0.00 -0.10 0.00 0.00 0.14 0.00 -0.00 -0.07 0.00 -0.00 -0.07 -0.00 0.00 0.14 0.00 -0.00 -0.10 -0.00 0.00 0.14 -0.00 0.00 -0.07 -0.00 0.00 -0.07 0.00 -0.00 0.14 -0.00 0.00 -0.11 0.00 -0.00 0.14 0.00 0.00 -0.07 0.00 0.00 -0.07 -0.00 -0.00 0.14 0.00 0.00 -0.11 -0.00 -0.00 0.14 -0.00 -0.00 -0.07 -0.00 -0.00 -0.07 -0.00 -0.00 -0.11 0.00 0.00 -0.11 0.00 -0.00 -0.11 -0.00 0.00 -0.11 -0.01 0.01 0.29 -0.01 0.01 0.30 0.01 -0.01 0.29 0.01 -0.01 0.30 -0.01 -0.01 0.29 -0.01 -0.01 0.30 0.01 0.01 0.29 0.01 0.01 0.30 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 0.01 -0.00 0.01 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.02 0.00 0.02 -0.00 0.01 -0.02 -0.00 0.00 0.01 -0.02 0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 0.01 -0.01 -0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.02 -0.02 0.00 -0.00 0.02 0.01 -0.00 -0.01 0.01 -0.02 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.00 0.01 -0.00 0.01 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.01 0.02 -0.00 -0.00 -0.02 -0.00 -0.01 -0.01 -0.02 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.01 -0.01 -0.00 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.02 -0.02 -0.01 -0.00 0.02 -0.00 -0.00 0.01 -0.00 -0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.03 0.05 -0.00 -0.08 0.07 0.00 -0.04 -0.05 0.00 0.03 0.01 0.01 0.02 0.03 -0.01 -0.05 0.04 -0.00 -0.07 -0.08 0.00 0.04 -0.04 0.00 -0.03 -0.01 0.01 -0.02 -0.03 -0.01 0.05 -0.04 -0.00 0.07 0.08 0.00 -0.04 0.04 0.00 -0.02 0.03 0.01 -0.03 0.01 -0.01 -0.03 -0.05 -0.00 0.08 -0.07 0.00 0.04 0.05 0.00 0.02 -0.03 0.01 0.03 -0.01 -0.01 0.10 0.01 -0.00 -0.10 -0.01 -0.00 -0.01 0.11 -0.00 0.01 -0.11 -0.00 -0.09 0.02 -0.03 0.04 -0.08 0.03 0.09 -0.01 -0.03 -0.04 0.08 0.03 -0.03 -0.09 -0.03 0.08 0.03 0.03 0.03 0.09 -0.03 -0.08 -0.03 0.03 0.08 0.01 0.00 0.02 0.00 -0.00 -0.02 -0.00 -0.00 0.02 0.00 0.00 -0.02 -0.00 -0.00 -0.04 -0.00 -0.00 -0.25 -0.02 -0.01 -0.00 -0.00 0.00 0.26 0.02 0.01 0.20 0.01 0.01 -0.01 0.09 0.00 -0.00 0.02 -0.00 0.00 -0.02 -0.00 -0.00 0.02 0.00 0.00 -0.03 -0.00 0.00 -0.05 -0.00 0.02 -0.27 -0.01 0.00 -0.00 0.00 -0.02 0.28 0.01 -0.02 0.22 0.01 -0.08 -0.01 0.00 0.02 0.00 -0.00 -0.02 -0.00 -0.00 0.02 0.00 -0.00 -0.02 -0.00 0.00 0.04 0.00 -0.00 0.25 0.02 -0.01 -0.26 -0.02 0.01 0.00 0.00 0.00 -0.20 -0.01 0.01 0.01 -0.09 0.00 -0.00 0.02 -0.00 0.00 -0.02 -0.00 -0.00 0.03 -0.00 0.00 -0.02 0.00 -0.00 0.05 -0.00 -0.02 0.27 -0.01 0.02 -0.28 0.01 -0.00 0.00 0.00 0.02 -0.22 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.09 0.01 -0.00 0.04 0.06 -0.00 -0.01 0.09 -0.00 -0.03 0.14 -0.00 -0.14 0.01 -0.00 0.00 -0.09 0.00 0.05 -0.05 0.00 0.09 0.00 0.00 0.03 -0.14 -0.00 0.14 -0.01 -0.00 -0.00 0.09 0.00 -0.05 0.05 0.00 -0.09 -0.00 0.00 0.14 0.03 0.01 0.01 0.14 0.00 -0.09 -0.01 -0.00 -0.04 -0.06 -0.00 0.01 -0.09 -0.00 -0.14 -0.03 0.01 -0.01 -0.14 0.00 0.12 0.01 -0.00 -0.12 -0.01 -0.00 0.01 -0.11 0.00 -0.01 0.11 0.00 -0.04 0.14 -0.00 -0.14 0.00 -0.02 0.04 -0.14 -0.00 0.14 -0.00 -0.02 0.14 0.03 -0.00 0.01 0.14 0.03 -0.14 -0.03 -0.00 -0.01 -0.14 0.03 0.07 0.01 0.00 0.02 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.03 -0.00 -0.00 -0.04 -0.00 -0.00 -0.23 -0.02 -0.01 -0.00 -0.00 -0.00 0.24 0.02 0.01 0.19 0.01 0.01 0.00 -0.06 -0.00 0.00 -0.02 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.02 0.00 -0.00 0.03 0.00 -0.01 0.19 0.01 -0.00 0.00 0.00 0.01 -0.20 -0.01 0.01 -0.16 -0.00 -0.07 -0.01 0.00 0.01 0.00 -0.00 -0.02 -0.00 -0.00 0.03 0.00 -0.00 -0.01 -0.00 0.00 0.04 0.00 -0.00 0.23 0.02 -0.01 -0.24 -0.02 0.01 0.00 0.00 -0.00 -0.19 -0.01 0.01 -0.00 0.06 -0.00 0.00 -0.01 0.00 -0.00 0.02 0.00 0.00 -0.02 0.00 -0.00 0.01 -0.00 0.00 -0.03 0.00 0.01 -0.19 0.01 -0.01 0.20 -0.01 0.00 -0.00 0.00 -0.01 0.16 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.04 -0.03 -0.00 0.08 -0.00 -0.00 0.03 0.10 -0.00 0.03 -0.08 0.01 0.09 0.01 -0.00 -0.05 0.09 -0.00 -0.08 -0.03 -0.00 -0.02 -0.04 0.00 0.03 -0.08 -0.01 0.09 0.01 0.00 -0.05 0.09 0.00 -0.08 -0.03 0.00 -0.02 -0.04 -0.00 -0.11 -0.01 -0.00 -0.02 -0.10 -0.00 0.04 -0.03 0.00 0.08 -0.00 0.00 0.03 0.10 0.00 -0.11 -0.01 0.00 -0.02 -0.10 0.00 0.01 0.02 -0.00 0.01 0.02 0.00 -0.01 0.15 -0.00 -0.01 0.15 0.00 -0.07 -0.07 -0.02 0.11 -0.08 0.04 -0.07 -0.07 0.02 0.11 -0.08 -0.04 -0.11 -0.09 -0.00 0.07 -0.08 -0.01 -0.11 -0.09 0.00 0.07 -0.08 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.01 0.00 0.01 0.00 0.03 0.00 0.00 0.00 -0.02 -0.01 -0.03 -0.02 0.00 -0.02 0.01 0.00 0.01 -0.09 -0.00 0.00 -0.03 0.00 -0.00 0.02 0.00 0.00 -0.02 0.00 -0.00 0.04 0.00 -0.00 0.05 0.00 -0.03 0.35 0.01 -0.01 0.04 0.00 0.02 -0.35 -0.01 0.02 -0.27 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.00 0.01 -0.00 0.03 0.00 -0.00 -0.03 -0.02 -0.00 0.00 -0.02 0.01 -0.02 0.01 -0.00 0.01 -0.09 0.00 -0.00 0.02 -0.00 0.00 -0.03 -0.00 -0.00 0.04 -0.00 0.00 -0.02 -0.00 -0.00 0.05 -0.00 -0.03 0.35 -0.01 0.02 -0.35 0.01 -0.01 0.04 -0.00 0.02 -0.27 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.09 0.05 -0.00 -0.03 0.08 -0.00 -0.04 0.02 0.00 -0.01 0.11 -0.00 -0.10 0.02 -0.00 -0.03 -0.04 0.00 -0.00 -0.08 0.00 0.10 -0.03 0.00 -0.01 0.11 0.00 -0.10 0.02 0.00 -0.03 -0.04 -0.00 -0.00 -0.08 -0.00 0.10 -0.03 -0.00 -0.08 -0.03 -0.01 0.01 -0.09 0.00 0.09 0.05 0.00 -0.03 0.08 0.00 -0.04 0.02 -0.00 -0.08 -0.03 0.01 0.01 -0.09 -0.00 0.15 0.01 -0.00 0.15 0.01 0.00 0.02 -0.01 0.00 0.02 -0.01 -0.00 -0.09 0.11 -0.00 -0.08 -0.07 -0.01 -0.09 0.11 0.00 -0.08 -0.07 0.01 -0.07 0.07 0.02 -0.08 -0.11 -0.04 -0.07 0.07 -0.02 -0.08 -0.11 0.04 -0.09 -0.01 -0.00 -0.03 -0.00 0.00 0.02 0.00 0.00 -0.02 -0.00 0.00 0.04 0.00 0.00 0.05 0.00 0.00 0.35 0.03 0.01 0.04 0.01 0.00 -0.35 -0.02 -0.01 -0.27 -0.02 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.03 -0.00 -0.02 -0.00 0.01 -0.02 0.03 -0.00 0.01 0.02 -0.00 -0.09 -0.01 0.00 0.02 0.00 -0.00 -0.03 -0.00 -0.00 0.04 0.00 -0.00 -0.02 -0.00 -0.00 0.05 0.00 -0.00 0.35 0.03 -0.01 -0.35 -0.02 0.01 0.04 0.01 -0.00 -0.27 -0.02 0.01 0.00 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.03 0.00 -0.02 0.03 0.00 -0.02 -0.00 -0.01 0.01 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.07 -0.00 0.00 0.07 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.04 0.01 -0.00 0.04 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.08 -0.00 -0.01 0.08 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.03 0.00 0.00 0.03 0.00 -0.00 -0.01 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.40 0.01 -0.02 -0.39 0.01 -0.01 0.26 -0.01 0.02 -0.25 -0.02 -0.02 0.48 0.03 0.01 -0.48 0.01 0.01 0.18 -0.01 -0.00 -0.18 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.06 -0.00 0.00 0.06 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.04 -0.00 0.00 -0.04 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.06 0.00 -0.00 -0.06 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.07 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.00 0.00 -0.02 -0.01 0.01 0.36 0.01 -0.02 -0.35 -0.01 0.01 -0.22 0.01 -0.01 0.21 0.01 0.01 -0.34 -0.01 -0.01 0.34 0.01 0.01 0.44 -0.02 -0.01 -0.44 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.05 -0.00 -0.00 -0.05 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.08 0.00 -0.00 0.08 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.03 0.00 0.00 -0.02 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.06 0.00 0.00 0.06 0.00 -0.00 0.02 0.00 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.29 -0.01 0.01 0.29 0.01 -0.01 0.50 -0.02 0.02 -0.50 0.01 0.01 -0.16 -0.01 -0.00 0.15 0.01 0.01 0.36 -0.02 -0.01 -0.35 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.06 0.00 -0.00 -0.06 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.06 -0.00 0.00 -0.06 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.06 -0.00 -0.00 0.05 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.06 0.00 0.00 0.06 0.00 -0.00 0.02 -0.00 -0.00 0.02 0.00 -0.00 -0.02 -0.00 0.00 -0.02 0.01 -0.01 -0.35 -0.01 0.01 0.34 -0.01 0.01 -0.36 0.01 -0.01 0.35 -0.01 -0.01 0.34 0.01 0.01 -0.33 0.01 0.01 0.36 -0.01 -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 -0.00 -0.00 0.05 0.05 -0.00 -0.01 0.07 0.00 -0.02 -0.16 -0.00 0.15 0.05 0.01 0.00 0.07 -0.00 -0.05 0.05 -0.00 -0.07 -0.01 0.00 0.02 0.16 -0.00 -0.15 -0.05 0.01 -0.00 -0.07 -0.00 0.05 -0.05 -0.00 0.07 0.01 0.00 0.16 -0.02 -0.00 -0.05 0.15 0.01 -0.07 0.00 -0.00 -0.05 -0.05 -0.00 0.01 -0.07 0.00 -0.16 0.02 -0.00 0.05 -0.15 0.01 -0.01 0.11 -0.00 0.01 -0.11 -0.00 -0.11 -0.01 -0.00 0.11 0.01 -0.00 -0.20 -0.15 0.03 0.12 0.22 -0.03 0.20 0.15 0.03 -0.12 -0.22 -0.03 0.15 -0.20 0.03 -0.22 0.12 -0.03 -0.15 0.20 0.03 0.22 -0.12 -0.03 0.00 -0.03 -0.01 -0.00 0.02 0.02 0.00 0.02 -0.03 -0.00 0.04 0.07 -0.00 0.04 -0.06 0.00 -0.05 -0.00 -0.01 0.00 0.01 -0.01 0.11 0.04 -0.00 0.11 -0.01 0.01 -0.04 -0.02 0.03 -0.00 -0.01 -0.02 -0.00 0.02 -0.02 0.00 -0.03 -0.04 -0.00 0.07 -0.04 -0.00 -0.06 0.05 0.00 -0.00 -0.00 -0.01 0.01 -0.11 -0.02 0.04 -0.11 0.00 -0.01 0.04 0.01 -0.02 0.00 0.03 -0.01 -0.00 -0.02 -0.03 -0.00 -0.02 0.02 0.00 -0.04 -0.06 0.00 -0.04 0.07 -0.00 0.05 -0.00 0.01 -0.00 0.01 -0.00 -0.11 -0.01 0.02 -0.11 0.04 -0.01 0.04 -0.01 -0.03 0.00 -0.01 0.02 -0.00 -0.03 0.02 0.00 0.02 0.04 0.00 -0.06 0.04 0.00 0.07 -0.05 -0.00 -0.00 0.00 0.01 0.01 0.11 -0.00 -0.01 0.11 0.02 0.04 -0.04 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.01 -0.00 0.02 0.02 -0.00 -0.01 0.02 -0.00 -0.01 -0.05 0.00 0.03 0.00 0.00 0.01 0.02 -0.00 -0.02 0.01 -0.00 -0.03 0.01 -0.00 -0.01 -0.05 -0.00 0.03 0.00 -0.00 0.01 0.02 0.00 -0.02 0.01 0.00 -0.03 0.01 0.00 -0.05 0.00 -0.00 0.02 -0.06 -0.00 0.03 0.01 0.00 0.02 0.02 0.00 -0.01 0.02 0.00 -0.05 0.00 0.00 0.02 -0.06 0.00 -0.00 0.06 -0.00 -0.00 0.06 0.00 0.01 0.01 -0.00 0.01 0.01 0.00 -0.03 -0.05 0.00 0.02 0.05 -0.00 -0.03 -0.05 -0.00 0.02 0.05 0.00 -0.04 0.05 -0.01 0.06 -0.05 0.01 -0.04 0.05 0.01 0.06 -0.05 -0.01 -0.01 0.01 0.00 0.01 -0.01 -0.01 0.00 -0.01 0.02 0.01 -0.02 -0.04 -0.01 -0.02 0.03 -0.00 0.02 0.00 -0.04 -0.01 -0.01 -0.02 -0.06 -0.02 0.05 -0.06 0.01 0.02 0.02 0.01 0.01 -0.05 -0.00 -0.01 0.07 0.00 -0.00 0.03 -0.00 -0.01 0.04 0.01 0.00 -0.07 -0.01 0.00 -0.02 -0.00 0.03 -0.40 -0.01 0.01 -0.27 -0.00 -0.04 0.41 0.01 -0.01 0.18 0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.02 0.01 -0.01 0.01 -0.01 -0.02 -0.03 0.01 -0.02 0.04 -0.00 0.02 -0.00 -0.04 -0.01 0.01 0.05 -0.06 -0.01 -0.03 -0.06 0.02 0.02 0.02 -0.01 0.01 -0.05 0.00 -0.00 0.03 0.00 -0.01 0.07 -0.00 0.00 -0.07 0.01 -0.01 0.04 -0.01 0.00 -0.02 0.00 0.03 -0.39 0.01 -0.04 0.41 -0.01 0.01 -0.27 0.00 -0.01 0.18 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.01 -0.00 0.01 0.02 -0.00 0.01 0.03 -0.00 0.00 0.05 -0.00 -0.06 -0.02 -0.00 0.01 -0.03 0.00 0.02 -0.02 0.00 0.02 0.01 0.00 0.00 0.05 0.00 -0.06 -0.02 0.00 0.01 -0.03 -0.00 0.02 -0.02 -0.00 0.02 0.01 -0.00 -0.05 0.01 -0.00 0.00 -0.03 -0.00 0.02 -0.01 0.00 0.01 0.02 0.00 0.01 0.03 0.00 -0.05 0.01 0.00 0.00 -0.03 0.00 0.01 -0.01 -0.00 0.01 -0.01 0.00 0.06 0.00 0.00 0.06 0.00 -0.00 0.05 0.04 -0.01 -0.05 -0.06 0.01 0.06 0.04 0.01 -0.05 -0.06 -0.01 -0.05 0.03 -0.00 0.05 -0.02 0.00 -0.05 0.04 0.00 0.05 -0.02 -0.00 -0.05 -0.01 -0.00 0.07 0.01 0.00 0.03 0.00 -0.00 0.04 0.01 0.01 -0.07 -0.00 -0.01 -0.02 -0.00 -0.00 -0.39 -0.03 -0.01 -0.27 -0.01 -0.00 0.40 0.04 0.01 0.18 0.01 0.00 0.01 0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 -0.02 -0.02 -0.01 0.04 -0.02 0.01 -0.03 0.02 0.00 -0.00 -0.01 0.04 0.01 -0.06 0.02 0.02 -0.06 -0.05 -0.01 0.02 -0.02 -0.01 -0.05 -0.01 0.00 0.03 0.00 0.00 0.07 0.01 -0.00 -0.07 -0.00 0.01 0.04 0.01 -0.01 -0.02 -0.00 0.00 -0.40 -0.03 0.01 0.41 0.04 -0.01 -0.27 -0.01 0.00 0.18 0.01 -0.00 0.01 0.01 0.00 -0.01 -0.00 0.02 -0.01 -0.01 -0.01 -0.02 0.01 0.03 -0.02 -0.01 -0.04 0.02 0.00 0.00 -0.01 0.05 -0.01 -0.06 -0.05 0.01 -0.06 0.03 -0.02 0.02 -0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.02 -0.02 -0.00 -0.00 -0.02 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 -0.00 0.01 -0.00 -0.02 0.01 -0.00 -0.02 0.00 -0.00 -0.00 0.02 0.00 -0.02 -0.00 0.00 0.00 -0.02 -0.00 0.02 -0.02 -0.00 0.02 -0.00 -0.00 -0.02 -0.00 -0.00 0.00 -0.02 -0.00 0.02 0.00 0.00 0.02 0.02 0.00 0.00 0.02 0.00 0.02 0.00 -0.00 -0.00 0.02 -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.02 0.00 0.02 0.01 0.00 0.00 0.02 0.00 -0.02 -0.01 0.00 -0.02 0.00 -0.00 0.01 -0.02 -0.00 0.02 0.00 -0.00 -0.00 0.02 -0.00 -0.04 -0.00 -0.00 0.05 0.00 0.00 0.02 0.00 0.00 0.03 0.00 0.00 -0.06 -0.00 -0.00 -0.02 -0.00 -0.00 -0.29 -0.02 -0.01 -0.21 -0.01 -0.01 0.31 0.02 0.01 0.13 0.01 0.00 -0.00 0.04 0.00 0.00 -0.05 -0.00 0.00 -0.02 -0.00 0.00 -0.03 -0.00 -0.00 0.06 0.00 -0.00 0.02 0.00 -0.02 0.29 0.01 -0.01 0.21 0.01 0.02 -0.31 -0.01 0.01 -0.13 -0.00 0.04 0.00 -0.00 -0.02 -0.00 0.00 -0.05 -0.00 0.00 0.05 0.00 -0.00 -0.03 -0.00 0.00 0.02 0.00 -0.00 0.28 0.02 -0.01 -0.30 -0.02 0.01 0.20 0.01 -0.01 -0.13 -0.01 0.00 0.00 -0.04 0.00 -0.00 0.02 -0.00 -0.00 0.05 -0.00 0.00 -0.06 0.00 -0.00 0.03 -0.00 0.00 -0.02 0.00 0.02 -0.29 0.01 -0.02 0.31 -0.01 0.01 -0.21 0.00 -0.01 0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.00 0.03 -0.03 -0.00 0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.02 -0.00 0.02 -0.01 0.00 0.03 0.03 -0.00 -0.01 0.01 -0.00 0.01 0.01 0.00 0.01 0.02 -0.00 -0.02 0.01 0.00 -0.03 -0.03 -0.00 0.01 -0.01 -0.00 0.01 -0.01 0.00 0.02 -0.01 -0.00 0.01 0.02 0.00 -0.03 0.03 -0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.02 0.01 -0.00 -0.03 -0.00 0.00 0.03 0.00 0.00 0.00 -0.03 0.00 -0.00 0.03 0.00 0.03 -0.01 -0.00 -0.02 0.03 0.00 -0.03 0.01 -0.00 0.02 -0.03 0.00 0.01 0.03 -0.00 -0.03 -0.02 0.00 -0.01 -0.03 -0.00 0.03 0.02 0.00 -0.05 -0.00 -0.00 0.05 0.00 0.00 0.03 0.00 0.00 0.03 0.00 -0.00 -0.06 -0.00 -0.00 -0.01 -0.00 -0.00 -0.28 -0.02 -0.01 -0.22 -0.02 -0.01 0.31 0.02 0.01 0.11 0.01 0.00 0.00 -0.05 -0.00 -0.00 0.05 0.00 -0.00 0.03 0.00 -0.00 0.03 0.00 0.00 -0.06 -0.00 0.00 -0.01 -0.00 0.02 -0.27 -0.01 0.02 -0.22 -0.01 -0.02 0.30 0.01 -0.01 0.11 0.00 0.05 0.00 -0.00 -0.03 -0.00 0.00 -0.05 -0.00 0.00 0.06 0.00 -0.00 -0.03 -0.00 -0.00 0.01 0.00 -0.00 0.28 0.02 -0.01 -0.31 -0.02 0.01 0.22 0.02 -0.01 -0.11 -0.01 0.00 -0.00 0.05 -0.00 0.00 -0.03 0.00 0.00 -0.05 0.00 -0.00 0.06 -0.00 0.00 -0.03 -0.00 -0.00 0.01 -0.00 -0.02 0.28 -0.01 0.02 -0.30 0.01 -0.02 0.22 -0.01 0.01 -0.11 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.06 0.07 -0.00 -0.07 0.07 -0.00 -0.07 -0.06 0.00 -0.05 -0.09 -0.00 0.04 0.02 0.00 0.03 -0.01 0.00 0.01 0.05 -0.00 -0.04 0.02 0.00 -0.05 -0.09 0.00 0.04 0.02 -0.00 0.03 -0.01 -0.00 0.01 0.05 0.00 -0.04 0.02 -0.00 0.02 -0.03 0.00 0.07 -0.07 -0.00 0.06 0.07 0.00 -0.07 0.07 0.00 -0.07 -0.06 -0.00 0.02 -0.03 -0.00 0.07 -0.07 0.00 0.02 0.13 -0.00 0.02 0.13 0.00 -0.05 -0.08 -0.00 -0.05 -0.08 0.00 -0.13 -0.08 0.01 0.00 0.23 -0.02 -0.13 -0.08 -0.01 0.00 0.23 0.02 0.04 0.20 -0.00 -0.04 -0.09 0.00 0.04 0.20 0.00 -0.04 -0.09 -0.00 -0.04 0.04 0.01 0.02 -0.02 -0.01 0.02 -0.02 0.03 0.02 -0.04 -0.08 -0.02 -0.05 0.06 -0.01 0.05 0.00 -0.09 -0.02 -0.01 -0.10 -0.12 -0.05 0.14 -0.12 0.02 0.02 0.05 0.02 -0.02 0.07 0.01 0.01 -0.04 -0.01 0.01 -0.03 0.01 0.02 -0.03 -0.03 0.02 0.06 0.03 -0.02 0.00 0.00 -0.01 0.20 0.00 0.03 0.24 -0.01 0.07 -0.27 0.00 -0.01 -0.06 0.01 -0.04 0.04 -0.01 0.02 -0.02 -0.03 0.02 -0.02 0.01 -0.02 -0.05 -0.06 0.02 -0.04 0.08 -0.01 0.05 -0.00 -0.09 -0.02 0.01 0.14 -0.11 -0.02 -0.10 -0.12 0.05 0.02 0.05 -0.02 -0.02 0.07 -0.01 0.01 -0.03 -0.01 0.01 -0.04 0.01 0.02 0.06 -0.03 0.02 -0.03 0.03 -0.02 0.00 -0.00 -0.01 0.20 -0.00 0.07 -0.27 -0.00 0.03 0.24 0.01 -0.01 -0.06 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.03 0.00 0.05 -0.01 -0.00 0.02 0.04 0.00 -0.03 -0.02 0.00 -0.07 -0.07 -0.00 0.07 -0.06 0.00 0.07 0.07 0.00 -0.06 0.07 -0.00 -0.03 -0.02 -0.00 -0.07 -0.07 0.00 0.07 -0.06 -0.00 0.07 0.07 -0.00 -0.06 0.07 0.00 -0.09 0.05 0.00 0.02 -0.04 -0.00 -0.01 -0.03 -0.00 0.05 -0.01 0.00 0.02 0.04 -0.00 -0.09 0.05 -0.00 0.02 -0.04 0.00 -0.08 0.05 -0.00 -0.08 0.05 0.00 0.13 -0.02 0.00 0.13 -0.02 -0.00 0.20 -0.04 -0.00 -0.09 0.04 0.00 0.20 -0.04 0.00 -0.09 0.04 -0.00 -0.08 0.13 -0.01 0.23 -0.00 0.02 -0.08 0.13 0.01 0.23 -0.00 -0.02 0.07 0.02 0.01 -0.04 -0.01 -0.01 -0.03 -0.01 0.01 -0.03 -0.02 -0.03 0.06 -0.02 0.03 0.00 0.02 0.00 0.20 0.01 0.00 0.24 -0.03 -0.01 -0.27 -0.07 0.00 -0.06 0.01 0.01 0.04 0.04 -0.01 -0.02 -0.02 0.01 -0.02 -0.02 -0.03 -0.04 -0.02 0.08 -0.05 0.02 -0.06 0.05 0.01 -0.00 -0.02 0.09 0.01 -0.12 0.10 0.05 -0.11 -0.14 -0.02 0.05 -0.02 -0.02 0.07 0.02 -0.01 -0.03 -0.01 -0.01 -0.04 -0.01 0.01 0.06 -0.02 -0.03 -0.03 -0.02 0.03 0.00 0.02 -0.00 0.20 0.01 -0.00 -0.27 -0.07 -0.00 0.24 -0.03 0.01 -0.06 0.01 -0.01 0.04 0.04 0.01 -0.02 -0.02 0.03 -0.02 -0.02 -0.01 -0.05 0.02 0.06 -0.04 -0.02 -0.08 0.05 0.01 0.00 -0.02 0.09 -0.01 -0.11 -0.14 0.02 -0.12 0.10 -0.05 0.05 -0.02 0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.05 0.09 -0.00 -0.05 0.04 0.00 -0.08 -0.07 0.00 -0.06 -0.07 0.00 -0.06 -0.07 -0.00 0.09 -0.05 0.00 0.04 0.05 -0.00 -0.07 0.08 -0.00 0.06 0.07 0.00 0.06 0.07 -0.00 -0.09 0.05 0.00 -0.04 -0.05 -0.00 0.06 -0.08 -0.00 -0.07 0.06 -0.00 -0.07 0.06 0.00 -0.05 -0.09 -0.00 0.05 -0.04 0.00 0.08 0.06 0.00 0.07 -0.06 -0.00 0.07 -0.06 0.00 -0.01 0.20 -0.01 0.01 -0.20 -0.01 0.20 0.01 0.01 -0.20 -0.01 0.01 0.10 -0.08 -0.00 -0.10 0.09 -0.00 -0.11 0.08 -0.00 0.10 -0.09 -0.00 -0.08 -0.11 0.00 0.09 0.10 0.00 0.08 0.11 0.00 -0.09 -0.10 0.00 0.01 -0.07 -0.02 -0.00 0.04 0.02 -0.00 0.04 -0.04 -0.01 0.07 0.12 -0.00 0.08 -0.10 0.01 -0.07 -0.00 0.00 0.02 0.01 -0.01 0.17 0.08 -0.02 0.19 -0.03 0.00 -0.07 -0.02 -0.07 -0.01 0.02 0.04 0.00 -0.02 0.04 0.00 0.04 0.07 0.01 -0.12 0.08 0.00 0.10 -0.07 -0.01 0.00 0.02 -0.00 -0.01 0.17 0.01 -0.08 0.19 0.02 0.03 -0.07 -0.00 0.02 -0.01 0.07 -0.02 0.00 -0.04 -0.04 0.00 -0.04 0.02 0.00 -0.08 -0.10 0.01 -0.07 0.12 -0.01 0.07 -0.00 -0.00 -0.02 0.01 0.02 -0.19 -0.03 0.01 -0.17 0.08 -0.00 0.07 -0.02 0.07 0.01 0.02 -0.04 -0.00 0.04 -0.04 -0.00 -0.02 -0.08 -0.00 0.10 -0.07 -0.01 -0.12 0.07 0.01 0.00 -0.02 0.01 -0.01 -0.19 -0.02 0.03 -0.17 -0.01 -0.08 0.07 0.00 0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.02 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.02 0.00 0.00 -0.00 0.00 -0.01 -0.02 0.00 -0.01 0.02 -0.00 0.00 0.00 -0.00 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 -0.01 -0.00 -0.00 0.02 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.03 0.00 0.01 -0.08 -0.00 -0.00 0.01 0.00 -0.00 0.05 0.00 0.01 -0.08 -0.00 -0.00 0.06 0.00 -0.03 0.43 0.01 0.02 -0.26 -0.01 -0.03 0.43 0.01 0.02 -0.33 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.00 0.00 -0.02 -0.00 0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.02 0.00 0.00 -0.01 0.00 -0.01 0.07 -0.00 -0.00 0.07 -0.00 0.00 -0.04 0.00 0.00 -0.05 0.00 0.03 -0.38 0.01 0.03 -0.37 0.01 -0.02 0.23 -0.01 -0.02 0.28 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 -0.01 -0.00 -0.00 -0.00 -0.00 -0.02 0.01 -0.00 -0.02 -0.00 -0.00 0.07 0.01 0.00 -0.01 -0.00 -0.00 -0.04 -0.00 -0.00 0.07 0.00 0.00 -0.05 -0.00 -0.00 -0.39 -0.03 -0.01 0.24 0.02 0.01 -0.38 -0.03 -0.01 0.29 0.02 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 0.00 0.00 -0.01 -0.00 -0.00 0.02 0.00 0.00 -0.02 -0.00 0.03 0.00 -0.00 0.01 0.00 -0.00 -0.08 -0.01 0.00 -0.07 -0.01 0.00 0.05 0.00 -0.00 0.06 0.00 -0.00 0.42 0.03 -0.01 0.41 0.03 -0.01 -0.26 -0.02 0.01 -0.32 -0.02 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 -0.02 0.00 -0.00 0.01 -0.00 -0.00 0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.02 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.02 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.01 0.00 0.01 0.01 0.00 -0.01 -0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 0.00 0.01 -0.07 -0.00 -0.00 0.01 0.00 -0.00 0.04 0.00 0.00 -0.07 -0.00 -0.00 0.05 0.00 -0.03 0.38 0.01 0.02 -0.22 -0.01 -0.03 0.37 0.01 0.02 -0.29 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.03 -0.00 -0.00 0.01 -0.00 0.01 -0.08 0.00 0.01 -0.08 0.00 -0.00 0.05 -0.00 -0.00 0.06 -0.00 -0.03 0.44 -0.01 -0.03 0.43 -0.01 0.02 -0.26 0.01 0.02 -0.33 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.02 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.01 -0.01 -0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 0.01 0.01 -0.00 0.03 0.00 0.00 -0.08 -0.01 -0.00 0.01 0.00 0.00 0.05 0.00 0.00 -0.07 -0.01 -0.00 0.06 0.00 0.00 0.43 0.03 0.01 -0.25 -0.02 -0.01 0.41 0.03 0.01 -0.32 -0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 0.00 -0.00 0.01 0.00 -0.00 -0.07 -0.01 0.00 -0.07 -0.00 0.00 0.04 0.00 -0.00 0.05 0.00 -0.00 0.39 0.03 -0.01 0.38 0.03 -0.01 -0.23 -0.02 0.01 -0.30 -0.02 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.05 0.03 -0.00 0.07 -0.06 -0.00 -0.03 -0.05 0.00 -0.06 -0.04 0.00 -0.03 -0.06 -0.00 -0.03 0.05 -0.00 0.06 0.07 -0.00 0.05 -0.03 0.00 0.06 0.04 0.00 0.03 0.06 -0.00 0.03 -0.05 -0.00 -0.06 -0.07 -0.00 -0.05 0.03 0.00 0.04 -0.06 0.00 0.06 -0.03 -0.00 -0.05 -0.03 -0.00 -0.07 0.06 -0.00 0.02 0.05 0.00 -0.04 0.06 0.00 -0.06 0.03 -0.00 0.04 0.00 -0.00 -0.04 -0.00 -0.00 -0.00 0.04 -0.00 0.00 -0.04 -0.00 -0.31 -0.03 -0.01 0.02 -0.32 0.02 0.31 0.03 -0.01 -0.02 0.32 0.02 0.03 -0.32 -0.01 0.32 0.02 0.02 -0.03 0.31 -0.01 -0.32 -0.02 0.02 0.02 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.02 0.00 0.00 0.02 0.00 -0.00 0.07 0.00 0.00 0.07 0.01 0.00 -0.11 -0.01 -0.00 -0.00 0.02 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.02 0.00 -0.00 0.02 0.00 -0.00 0.07 0.00 -0.01 0.07 0.00 0.01 -0.11 -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 0.00 -0.02 -0.00 0.00 -0.02 -0.00 -0.00 -0.07 -0.01 0.00 -0.07 -0.00 0.00 0.11 0.01 -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.02 0.00 0.00 -0.02 0.00 0.01 -0.07 0.00 0.00 -0.07 0.00 -0.01 0.11 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.00 -0.22 0.19 0.00 -0.02 -0.00 0.00 -0.09 -0.12 0.00 -0.11 -0.11 -0.00 0.02 -0.00 0.00 0.18 0.22 -0.00 -0.00 0.02 -0.00 0.09 0.12 0.00 0.11 0.11 -0.00 -0.02 0.00 0.00 -0.18 -0.21 -0.00 0.00 -0.02 -0.00 -0.12 0.09 -0.00 -0.11 0.11 0.00 -0.00 -0.02 -0.00 0.21 -0.18 0.00 0.02 0.01 0.00 0.12 -0.09 -0.00 0.11 -0.11 0.00 0.01 -0.10 0.01 -0.01 0.10 0.01 -0.10 -0.01 -0.01 0.10 0.01 -0.01 0.09 -0.14 0.00 -0.15 0.06 -0.00 -0.09 0.14 0.00 0.15 -0.07 -0.00 -0.14 -0.09 -0.00 0.07 0.15 0.00 0.14 0.09 -0.00 -0.07 -0.15 0.00 -0.01 0.09 0.00 0.00 -0.03 0.04 0.00 -0.02 -0.05 0.01 -0.04 -0.08 0.00 -0.05 0.07 -0.00 0.05 0.00 0.01 -0.02 0.04 0.00 -0.05 -0.08 0.00 -0.07 0.07 -0.00 0.05 0.01 0.09 0.01 -0.00 -0.03 -0.00 -0.04 -0.02 -0.00 0.05 -0.04 -0.01 0.08 -0.06 -0.00 -0.08 0.05 0.00 -0.00 -0.02 -0.00 -0.04 -0.05 -0.00 0.08 -0.07 -0.00 -0.07 0.05 0.00 -0.01 0.01 -0.09 0.00 -0.00 0.02 -0.05 -0.00 0.03 0.04 -0.00 0.06 0.08 -0.01 0.04 -0.08 0.00 -0.05 0.00 -0.00 0.02 0.04 -0.00 0.07 0.07 -0.00 0.05 -0.08 0.00 -0.05 0.01 -0.09 -0.01 -0.00 0.02 0.00 0.05 0.03 0.00 -0.04 0.06 0.00 -0.08 0.04 0.01 0.08 -0.05 -0.01 -0.00 0.02 0.01 -0.04 0.07 0.00 -0.07 0.05 -0.00 0.08 -0.05 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.04 0.02 -0.00 0.23 -0.19 -0.00 -0.02 -0.03 0.00 -0.02 0.03 -0.00 -0.06 -0.01 -0.00 0.01 -0.04 0.00 0.10 -0.04 0.00 0.05 -0.00 0.00 -0.02 0.03 0.00 -0.06 -0.01 0.00 0.01 -0.04 -0.00 0.10 -0.04 -0.00 0.05 -0.00 -0.00 -0.14 0.11 -0.00 -0.13 0.11 0.00 0.04 0.02 0.00 0.24 -0.19 0.00 -0.02 -0.03 -0.00 -0.14 0.11 0.00 -0.13 0.11 -0.00 0.05 0.09 -0.01 0.05 0.09 0.01 -0.10 -0.05 -0.01 -0.10 -0.05 0.01 -0.05 0.03 -0.00 -0.06 -0.01 0.00 -0.04 0.03 0.00 -0.06 -0.00 -0.00 -0.15 0.15 0.01 -0.18 0.11 -0.01 -0.15 0.16 -0.01 -0.19 0.11 0.01 -0.03 0.08 0.00 0.00 -0.03 0.04 0.01 -0.02 -0.05 0.03 -0.03 -0.07 0.02 -0.05 0.07 -0.03 0.04 0.00 0.01 -0.02 0.04 -0.13 -0.05 -0.07 -0.11 -0.07 0.06 0.17 0.06 0.01 -0.10 0.02 0.00 0.03 -0.00 0.05 0.03 -0.00 -0.06 0.04 -0.01 -0.09 0.06 -0.01 0.08 -0.06 0.02 0.00 0.02 0.01 0.05 0.05 0.09 -0.08 0.07 0.08 0.08 -0.05 -0.12 0.00 -0.03 0.08 -0.00 0.01 -0.02 0.05 0.00 -0.03 -0.04 0.02 -0.05 -0.07 0.03 -0.03 0.07 -0.03 0.04 -0.00 0.01 -0.02 -0.04 -0.11 -0.07 -0.06 -0.13 -0.05 0.07 0.17 0.06 -0.01 -0.10 0.01 -0.00 0.03 -0.00 0.06 0.03 -0.00 -0.05 0.06 -0.01 -0.08 0.04 -0.01 0.09 -0.06 0.01 -0.00 0.02 0.01 -0.05 0.07 0.08 -0.08 0.05 0.08 0.08 -0.05 -0.12 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.04 0.01 -0.00 0.04 0.10 -0.00 0.00 0.05 -0.00 -0.11 -0.13 0.00 -0.11 -0.13 -0.00 -0.02 0.04 -0.00 0.19 0.23 -0.00 0.03 -0.02 0.00 -0.11 -0.14 -0.00 -0.11 -0.13 0.00 -0.02 0.04 0.00 0.19 0.24 0.00 0.03 -0.02 -0.00 -0.03 -0.02 -0.00 0.01 -0.06 -0.00 0.04 0.01 0.00 0.04 0.10 0.00 0.00 0.05 0.00 -0.03 -0.02 0.00 0.01 -0.06 0.00 0.05 -0.10 0.01 0.05 -0.10 -0.01 -0.09 0.05 -0.01 -0.09 0.05 0.01 -0.15 -0.15 -0.01 -0.11 -0.18 0.01 -0.15 -0.15 0.01 -0.11 -0.18 -0.01 -0.03 -0.04 -0.00 0.00 -0.06 0.00 -0.03 -0.04 0.00 0.01 -0.06 -0.00 -0.02 -0.10 -0.00 0.00 0.03 -0.05 0.00 0.03 0.06 0.01 0.04 0.09 0.01 0.06 -0.08 -0.02 -0.06 -0.00 -0.01 0.02 -0.05 -0.09 0.05 0.08 -0.08 0.07 -0.08 0.12 -0.05 -0.00 -0.08 -0.03 0.00 0.03 0.00 0.04 0.02 0.01 -0.05 0.03 0.03 -0.07 0.05 0.02 0.07 -0.04 -0.03 0.00 0.02 0.01 0.04 0.05 -0.13 -0.07 0.07 -0.11 0.06 -0.06 0.17 0.01 -0.02 -0.10 0.00 0.00 0.03 -0.06 0.00 0.03 0.05 0.01 0.06 0.08 0.01 0.04 -0.09 -0.02 -0.06 0.00 -0.01 0.02 0.05 -0.08 0.07 0.08 -0.09 0.05 -0.08 0.12 -0.05 0.00 -0.08 -0.03 -0.00 0.02 0.01 0.05 0.03 0.00 -0.04 0.05 0.02 -0.06 0.03 0.03 0.07 -0.04 -0.03 -0.00 0.02 0.01 -0.04 0.07 -0.11 -0.06 0.05 -0.14 0.07 -0.06 0.18 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.00 0.00 -0.00 0.02 0.00 0.01 0.00 0.00 0.00 -0.02 0.00 -0.00 0.01 -0.00 0.02 0.00 0.00 0.00 -0.01 -0.00 -0.02 -0.00 -0.00 0.00 -0.00 0.00 0.03 0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.00 -0.00 -0.02 -0.00 -0.00 0.05 0.00 0.00 -0.17 -0.01 -0.00 0.30 0.02 0.01 0.15 0.01 0.00 -0.28 -0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.05 0.00 -0.00 0.02 0.00 0.00 -0.05 -0.00 -0.01 0.16 0.00 0.02 -0.28 -0.01 0.01 -0.14 -0.00 -0.02 0.27 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 -0.00 0.00 0.02 0.00 0.00 0.05 0.00 -0.00 -0.05 -0.00 0.00 0.18 0.01 -0.00 -0.16 -0.01 0.00 -0.31 -0.02 0.01 0.30 0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 -0.00 0.00 -0.03 0.00 0.00 -0.06 0.00 -0.00 0.06 -0.00 0.02 -0.20 0.01 -0.01 0.18 -0.00 -0.02 0.35 -0.01 0.02 -0.33 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -0.01 -0.01 -0.01 -0.00 0.02 0.00 -0.00 -0.04 0.00 0.01 -0.02 0.01 -0.01 0.04 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.04 0.00 0.00 -0.00 -0.00 0.01 -0.08 -0.00 0.00 -0.03 -0.00 -0.01 0.07 0.00 0.02 -0.27 -0.01 -0.03 0.46 0.01 -0.01 0.22 0.01 0.03 -0.43 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.01 0.00 0.01 0.01 0.01 0.01 0.02 0.01 -0.01 -0.02 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.04 -0.00 0.00 -0.03 0.00 0.01 -0.07 0.00 -0.01 0.07 -0.00 0.02 -0.25 0.01 -0.01 0.20 -0.00 -0.03 0.42 -0.01 0.03 -0.39 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 -0.00 -0.00 -0.00 -0.08 -0.01 -0.00 -0.03 -0.00 -0.00 0.07 0.01 0.00 -0.26 -0.02 -0.01 0.45 0.03 0.01 0.22 0.01 0.00 -0.42 -0.03 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 0.01 0.00 0.01 -0.01 0.01 0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 0.00 -0.00 -0.03 -0.00 0.00 -0.07 -0.01 0.00 0.07 0.01 -0.00 -0.26 -0.02 0.01 0.21 0.01 -0.01 0.44 0.03 -0.01 -0.41 -0.03 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.01 -0.01 0.00 0.02 0.01 -0.00 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.00 0.01 0.01 -0.00 0.01 -0.00 0.00 0.01 0.01 0.00 0.00 0.01 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.00 0.00 0.01 0.00 -0.01 0.01 0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.05 -0.00 -0.00 0.00 -0.05 0.00 0.05 0.01 -0.00 -0.00 0.05 0.00 0.00 -0.05 -0.00 0.05 0.00 0.00 -0.01 0.05 -0.00 -0.05 -0.00 0.00 0.00 0.00 -0.00 -0.03 -0.00 -0.00 0.00 0.00 -0.00 0.05 0.00 0.00 0.02 0.00 0.00 -0.05 -0.00 -0.00 0.19 0.01 0.01 -0.32 -0.02 -0.01 -0.15 -0.01 -0.00 0.29 0.02 0.01 -0.00 0.00 -0.00 0.00 -0.03 -0.00 -0.00 0.00 -0.00 -0.00 0.05 0.00 -0.00 0.02 0.00 0.00 -0.05 -0.00 -0.01 0.19 0.01 0.02 -0.32 -0.01 0.01 -0.15 -0.00 -0.02 0.29 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.00 -0.00 -0.02 -0.00 0.00 -0.05 -0.00 0.00 0.05 0.00 -0.00 -0.19 -0.01 0.01 0.15 0.01 -0.00 0.32 0.02 -0.01 -0.29 -0.02 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 -0.00 0.00 -0.02 0.00 0.00 -0.05 0.00 -0.00 0.05 -0.00 0.01 -0.18 0.00 -0.01 0.14 -0.00 -0.02 0.30 -0.01 0.02 -0.27 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.05 -0.00 -0.00 -0.07 -0.08 0.00 -0.01 0.05 -0.00 -0.03 -0.04 -0.00 0.04 0.04 0.00 -0.00 -0.05 0.00 -0.08 0.07 -0.00 0.05 0.01 0.00 0.03 0.04 -0.00 -0.04 -0.04 0.00 0.00 0.05 0.00 0.08 -0.07 -0.00 -0.05 -0.01 0.00 -0.04 0.03 0.00 0.04 -0.04 -0.00 -0.05 0.00 -0.00 0.07 0.08 0.00 0.01 -0.05 -0.00 0.04 -0.03 0.00 -0.04 0.04 -0.00 0.08 0.00 -0.00 -0.08 -0.01 -0.00 0.01 -0.08 0.00 -0.01 0.08 0.00 -0.30 -0.04 -0.00 -0.02 0.35 -0.02 0.31 0.04 -0.00 0.02 -0.35 -0.02 -0.04 0.31 0.00 0.35 0.02 0.02 0.04 -0.30 0.00 -0.35 -0.02 0.02 0.02 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.06 0.01 0.00 -0.03 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.06 -0.00 -0.00 0.03 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.06 -0.01 0.00 -0.01 -0.00 0.00 0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.06 -0.00 -0.00 0.01 -0.00 0.00 -0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.08 -0.09 0.00 -0.00 -0.01 0.00 0.01 0.05 -0.00 -0.04 -0.01 -0.00 0.01 -0.01 0.00 0.09 -0.08 0.00 0.01 -0.00 0.00 -0.01 -0.05 -0.00 0.04 0.01 -0.00 -0.01 0.01 0.00 -0.09 0.08 0.00 -0.00 0.00 0.00 -0.05 0.01 -0.00 0.01 -0.04 -0.00 0.01 0.01 0.00 0.08 0.09 0.00 0.00 0.01 0.00 0.05 -0.01 -0.00 -0.01 0.04 -0.00 -0.01 0.07 -0.01 0.01 -0.07 -0.01 -0.07 -0.01 -0.01 0.07 0.01 -0.01 0.12 0.04 0.00 -0.02 -0.13 0.01 -0.12 -0.04 0.00 0.02 0.12 0.01 -0.04 0.12 0.00 0.12 -0.02 0.01 0.04 -0.12 0.00 -0.13 0.02 0.01 0.01 -0.11 0.01 -0.00 0.08 -0.13 -0.01 0.06 0.19 -0.00 0.04 0.10 -0.00 0.07 -0.10 0.01 -0.13 -0.01 -0.00 0.07 -0.15 -0.00 -0.02 0.12 -0.00 0.02 -0.13 0.01 -0.13 0.01 0.11 0.01 0.01 -0.08 -0.00 -0.14 -0.06 -0.01 0.19 -0.04 -0.00 0.10 -0.07 -0.00 -0.10 0.13 0.01 -0.01 -0.07 -0.00 -0.15 0.02 -0.00 0.12 -0.02 -0.00 -0.13 0.13 0.01 0.01 -0.01 0.11 0.01 0.01 -0.06 0.19 0.00 -0.08 -0.13 0.00 -0.07 -0.10 0.00 -0.04 0.10 -0.01 0.13 -0.01 0.00 -0.07 -0.15 0.00 -0.02 -0.13 0.00 0.02 0.12 -0.01 0.13 0.01 -0.11 -0.01 0.01 0.06 0.01 0.19 0.08 0.00 -0.13 0.07 0.00 -0.10 0.04 0.00 0.10 -0.13 -0.01 -0.01 0.07 0.00 -0.15 0.02 0.00 -0.13 -0.02 0.00 0.12 -0.13 -0.01 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.05 -0.01 0.00 -0.01 0.09 -0.00 0.02 0.00 -0.00 0.05 0.06 -0.00 0.00 0.02 -0.00 0.01 0.00 0.00 0.01 -0.09 0.00 -0.05 -0.00 -0.00 0.05 0.06 0.00 0.00 0.02 0.00 0.01 0.00 -0.00 0.01 -0.09 -0.00 -0.05 -0.00 0.00 0.00 -0.02 -0.00 0.06 -0.05 -0.00 -0.05 -0.00 -0.00 -0.01 0.09 0.00 0.02 0.00 0.00 0.00 -0.02 0.00 0.06 -0.05 0.00 -0.07 -0.00 0.00 -0.07 -0.01 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.37 0.05 0.01 0.00 0.02 0.00 0.38 0.05 -0.01 0.00 0.03 0.00 0.00 -0.05 -0.00 0.41 0.02 0.02 0.00 -0.06 0.00 0.42 0.02 -0.02 0.02 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 -0.02 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.06 -0.00 -0.01 0.08 0.00 0.12 0.05 0.01 -0.17 0.01 0.00 -0.05 0.04 0.00 0.05 -0.12 -0.01 0.00 0.08 0.00 0.13 -0.05 -0.00 -0.07 -0.01 -0.00 0.08 -0.13 -0.01 -0.03 0.02 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.05 0.00 -0.01 0.01 0.00 -0.00 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.06 -0.00 0.01 0.05 0.01 0.17 0.08 0.00 -0.12 0.04 0.00 -0.05 0.01 0.00 0.05 -0.12 -0.01 -0.00 0.08 0.00 -0.13 -0.01 -0.00 -0.08 -0.05 -0.00 0.07 -0.13 -0.01 0.03 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.09 -0.01 0.00 -0.00 0.05 -0.00 -0.02 -0.00 -0.00 -0.05 -0.06 -0.00 -0.00 0.05 -0.00 0.09 0.01 0.00 0.00 -0.02 0.00 -0.02 -0.00 0.00 -0.05 -0.06 0.00 -0.01 0.05 0.00 0.09 0.01 -0.00 0.00 -0.02 -0.00 0.06 -0.05 0.00 0.02 -0.00 0.00 0.00 -0.01 -0.00 -0.09 -0.01 -0.00 -0.00 0.05 0.00 0.06 -0.05 -0.00 0.02 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.01 0.01 -0.00 0.07 -0.00 -0.01 0.07 0.00 -0.06 -0.00 -0.00 0.02 -0.41 0.02 -0.05 -0.00 0.00 0.02 -0.42 -0.02 0.05 -0.37 -0.01 0.03 -0.00 0.00 0.05 -0.37 0.01 0.02 -0.00 0.00 -0.00 0.06 -0.01 0.00 -0.08 0.12 0.01 -0.05 -0.17 0.00 -0.01 -0.05 0.00 -0.04 0.05 -0.01 0.12 0.00 0.00 -0.08 0.13 -0.00 0.05 -0.07 -0.00 0.01 0.08 -0.01 0.13 -0.03 0.00 -0.02 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.00 -0.00 0.02 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.06 0.01 0.01 -0.05 0.17 0.00 -0.08 -0.12 0.00 -0.04 -0.05 0.00 -0.01 0.05 -0.01 0.12 -0.00 0.00 -0.08 -0.13 -0.00 0.01 -0.08 -0.00 0.05 0.07 -0.01 0.13 0.03 0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.05 0.00 0.00 -0.01 0.00 -0.00 0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.05 -0.04 -0.00 -0.01 -0.01 0.00 0.02 0.01 0.00 0.01 0.02 -0.00 0.01 -0.01 0.00 -0.04 -0.05 0.00 -0.01 0.01 -0.00 -0.02 -0.01 0.00 -0.01 -0.02 -0.00 -0.01 0.01 0.00 0.04 0.05 0.00 0.01 -0.01 -0.00 0.01 -0.02 -0.00 0.02 -0.01 0.00 -0.01 -0.01 -0.00 -0.05 0.04 -0.00 0.01 0.01 0.00 -0.01 0.02 -0.00 -0.02 0.01 0.00 -0.01 0.05 0.01 0.00 -0.05 0.01 0.05 0.01 -0.01 -0.05 -0.00 -0.01 0.10 0.01 -0.00 -0.00 0.09 -0.00 -0.09 -0.01 -0.00 0.00 -0.09 -0.00 0.01 -0.10 0.00 0.09 0.00 0.00 -0.01 0.09 0.00 -0.08 -0.00 0.00 0.00 0.00 -0.03 0.00 -0.11 0.16 0.01 -0.08 -0.22 -0.00 0.02 0.02 0.00 -0.01 0.01 -0.01 0.17 -0.00 0.01 -0.17 0.14 -0.01 0.09 -0.00 -0.00 0.02 0.01 -0.01 0.19 -0.08 0.00 -0.00 0.03 -0.12 -0.00 -0.16 -0.08 -0.01 0.22 0.02 0.00 -0.02 -0.01 -0.00 -0.01 0.17 0.01 0.00 -0.17 -0.01 -0.14 0.09 0.01 0.00 0.02 0.00 -0.01 0.19 0.01 0.08 -0.00 -0.00 -0.03 -0.01 0.08 -0.22 -0.00 0.12 0.16 -0.00 0.01 0.01 0.00 -0.02 0.02 0.01 -0.17 -0.00 -0.01 0.17 0.14 0.00 -0.02 0.01 0.01 -0.09 -0.00 0.01 -0.19 -0.08 -0.00 0.00 0.03 0.08 0.01 0.22 0.12 0.00 -0.16 0.01 0.00 -0.01 -0.02 -0.00 -0.02 -0.18 -0.01 0.00 0.17 0.01 -0.14 -0.02 -0.00 -0.01 -0.09 -0.01 0.00 -0.19 -0.01 0.08 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.03 0.01 0.00 0.05 0.07 -0.00 0.00 -0.01 0.00 0.03 0.03 -0.00 -0.02 0.01 -0.00 -0.00 0.00 -0.00 0.05 -0.05 0.00 -0.03 -0.01 -0.00 0.03 0.03 0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 0.05 -0.05 -0.00 -0.03 -0.01 0.00 -0.03 -0.01 0.00 0.03 -0.02 -0.00 -0.03 0.01 -0.00 0.05 0.07 0.00 0.00 -0.01 -0.00 -0.03 -0.01 -0.00 0.03 -0.02 0.00 -0.04 -0.01 -0.00 -0.04 -0.01 0.00 -0.07 -0.01 0.01 -0.07 -0.01 -0.01 0.31 0.02 0.01 -0.03 0.05 -0.01 0.32 0.02 -0.01 -0.03 0.06 0.01 -0.03 -0.05 -0.01 0.38 0.04 0.02 -0.03 -0.05 0.01 0.38 0.04 -0.02 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.02 -0.01 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.06 -0.00 0.03 -0.10 -0.01 -0.09 -0.06 -0.01 0.12 0.04 0.01 -0.10 0.02 -0.00 0.07 0.15 0.01 0.01 -0.24 -0.02 -0.01 0.02 0.01 -0.13 -0.07 -0.01 0.15 0.17 0.01 0.11 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 0.02 -0.01 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.00 0.01 0.01 -0.06 -0.00 -0.03 -0.06 -0.01 -0.12 -0.10 -0.01 0.09 0.02 -0.00 -0.07 0.04 0.01 0.10 0.14 0.01 -0.01 -0.24 -0.01 0.01 -0.07 -0.01 -0.15 0.02 0.01 0.13 0.17 0.01 -0.11 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.05 0.05 -0.00 0.01 -0.03 0.00 0.01 -0.03 -0.00 0.02 0.03 0.00 -0.01 -0.03 0.00 -0.07 0.05 -0.00 0.01 0.00 0.00 0.01 -0.03 0.00 0.02 0.03 -0.00 -0.01 -0.03 -0.00 -0.07 0.05 0.00 0.01 0.00 -0.00 -0.03 0.03 -0.00 -0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.05 0.05 0.00 0.01 -0.03 -0.00 -0.03 0.03 0.00 -0.01 -0.02 0.00 0.01 -0.07 -0.01 0.01 -0.07 0.01 0.01 -0.04 -0.00 0.01 -0.04 0.00 0.05 -0.03 0.01 -0.04 0.37 -0.02 0.05 -0.03 -0.01 -0.04 0.38 0.02 -0.02 0.32 0.01 -0.06 -0.03 -0.01 -0.02 0.31 -0.01 -0.05 -0.03 0.01 0.00 -0.06 -0.03 0.01 -0.10 0.09 0.01 -0.06 -0.12 -0.01 0.04 0.10 0.00 0.02 -0.07 -0.01 0.15 -0.01 0.01 -0.24 0.01 -0.01 0.02 0.13 0.01 -0.07 -0.15 -0.01 0.17 -0.11 0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.02 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.06 0.03 0.01 -0.06 0.12 0.01 -0.10 -0.09 0.00 0.02 0.07 -0.01 0.04 -0.10 -0.01 0.15 0.01 0.01 -0.24 -0.01 0.01 -0.07 0.15 -0.01 0.02 -0.13 -0.01 0.17 0.11 0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.01 0.02 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.05 -0.06 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.00 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.06 -0.05 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.06 0.05 0.00 0.00 0.00 -0.00 -0.02 0.00 -0.00 0.01 -0.02 -0.00 -0.00 0.00 -0.00 0.05 0.06 0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.00 -0.00 0.02 -0.00 -0.01 0.06 0.01 0.01 -0.06 0.01 -0.06 -0.01 0.01 0.06 0.01 0.01 0.07 0.02 -0.00 -0.01 -0.08 0.00 -0.07 -0.02 -0.00 0.01 0.08 0.00 -0.02 0.07 -0.00 0.09 -0.01 0.00 0.02 -0.06 -0.00 -0.08 0.01 0.00 0.00 -0.06 -0.03 0.00 -0.08 0.07 0.01 -0.04 -0.08 -0.01 0.04 0.11 0.00 0.02 -0.08 -0.01 0.13 -0.01 0.02 -0.25 -0.03 -0.00 -0.01 0.15 0.01 -0.11 -0.18 -0.01 0.15 -0.12 0.06 0.00 -0.03 0.08 0.00 0.06 0.04 0.01 -0.07 -0.04 -0.01 0.11 -0.02 0.00 -0.08 -0.13 -0.01 -0.01 0.24 0.02 -0.04 0.01 -0.00 0.15 0.11 0.01 -0.18 -0.15 -0.01 -0.12 -0.00 0.06 -0.02 -0.01 0.04 -0.07 -0.00 0.08 0.06 -0.00 -0.02 -0.08 0.01 -0.04 0.11 0.01 -0.13 -0.01 -0.02 0.24 -0.03 -0.01 0.11 -0.18 0.00 0.01 0.15 0.01 -0.15 -0.12 -0.06 -0.00 -0.03 -0.04 -0.01 -0.07 -0.08 -0.00 0.06 0.02 -0.00 -0.08 0.04 0.01 0.11 0.13 0.01 -0.01 -0.25 -0.02 -0.04 -0.11 -0.01 -0.19 -0.01 0.00 0.15 0.15 0.01 -0.12 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.03 0.02 0.00 0.00 0.01 0.00 -0.02 0.01 -0.00 0.01 -0.01 0.00 -0.00 0.01 0.00 0.02 0.03 -0.00 0.01 -0.00 -0.00 0.02 -0.01 -0.00 -0.02 0.01 0.00 0.00 -0.01 0.00 -0.02 -0.03 -0.00 -0.01 0.00 -0.00 0.01 0.02 0.00 -0.01 -0.02 -0.00 0.01 0.00 -0.00 0.03 -0.02 0.00 -0.00 -0.01 0.00 -0.01 -0.02 0.00 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.33 0.02 -0.01 0.08 -0.32 0.01 0.35 -0.03 -0.01 -0.08 0.31 0.01 0.03 0.35 0.01 -0.33 -0.08 -0.02 -0.02 -0.33 0.01 0.30 0.07 -0.01 0.00 -0.01 -0.00 0.00 -0.02 0.00 0.00 -0.01 0.00 -0.00 0.01 0.03 0.00 0.00 -0.03 -0.00 0.03 -0.00 0.01 -0.08 -0.04 0.00 -0.03 0.05 0.01 -0.06 -0.07 -0.00 0.03 -0.04 -0.01 -0.00 0.00 -0.02 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.03 0.00 -0.00 0.03 0.03 0.00 0.00 -0.08 -0.01 0.04 -0.03 -0.00 -0.06 -0.06 -0.01 0.08 0.03 0.00 0.04 -0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 0.02 0.00 -0.00 -0.00 -0.03 0.00 -0.01 0.04 0.00 -0.03 -0.00 -0.01 0.08 -0.04 -0.01 0.07 -0.08 -0.00 0.03 0.06 0.00 -0.03 -0.04 0.01 0.00 0.00 0.01 0.00 -0.00 0.02 0.00 -0.00 -0.00 0.00 0.03 -0.01 -0.00 -0.04 -0.03 -0.00 0.00 0.08 0.01 0.04 0.06 0.01 0.08 0.03 0.00 -0.06 -0.03 -0.00 0.04 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.01 -0.00 -0.03 -0.03 0.00 -0.01 0.03 -0.00 0.01 -0.05 0.00 -0.05 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.01 -0.05 -0.00 -0.05 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.02 -0.01 0.00 -0.01 0.01 0.00 0.03 -0.01 0.00 -0.03 -0.03 -0.00 -0.01 0.03 0.00 0.02 -0.01 -0.00 -0.01 0.01 -0.00 0.03 0.00 0.00 0.03 -0.00 -0.00 -0.00 0.04 0.00 -0.00 0.04 0.00 0.46 -0.07 0.01 -0.14 0.42 -0.02 0.47 -0.07 -0.01 -0.14 0.42 0.02 0.02 -0.14 -0.00 -0.20 -0.03 -0.01 0.02 -0.12 0.00 -0.21 -0.03 0.01 -0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.02 0.00 0.00 0.01 0.00 -0.01 0.00 -0.02 0.04 0.03 -0.00 0.02 -0.03 -0.01 0.04 0.04 0.00 -0.02 0.02 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.01 0.04 -0.02 -0.01 0.03 -0.03 -0.00 0.02 0.02 0.00 -0.01 -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.02 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.02 -0.00 -0.01 -0.01 -0.00 0.01 0.03 -0.00 0.03 -0.03 0.00 -0.03 -0.01 -0.00 0.01 0.02 0.00 -0.01 -0.01 0.00 0.01 0.03 0.00 0.03 -0.03 -0.00 -0.03 -0.01 0.00 0.05 0.01 0.00 0.00 -0.05 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.05 0.01 -0.00 0.00 -0.05 0.00 -0.04 -0.00 -0.00 -0.04 -0.00 -0.00 0.00 0.03 0.00 -0.00 0.03 -0.00 0.14 0.02 0.00 0.03 -0.20 0.01 0.12 0.02 -0.00 0.03 -0.21 -0.01 0.07 0.47 0.01 -0.42 -0.14 -0.02 0.07 0.46 -0.01 -0.42 -0.14 0.02 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.01 0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 0.01 0.00 0.00 -0.03 -0.01 0.02 -0.02 -0.00 -0.02 -0.03 -0.01 0.03 0.01 0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.02 -0.01 0.01 0.01 -0.02 0.02 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.02 0.01 0.00 -0.00 -0.05 -0.02 -0.03 -0.05 -0.01 -0.05 -0.03 -0.00 0.03 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.02 -0.00 0.00 0.03 -0.00 0.00 -0.03 -0.00 0.03 -0.00 0.00 -0.03 -0.00 0.00 -0.20 0.02 -0.01 0.05 -0.17 0.01 0.17 -0.02 -0.00 -0.05 0.17 0.01 0.02 0.16 0.00 -0.15 -0.04 -0.01 -0.02 -0.21 0.01 0.20 0.06 -0.01 -0.00 -0.01 0.00 -0.00 0.02 0.02 0.00 -0.00 -0.05 0.00 -0.00 -0.06 -0.00 0.00 0.05 0.00 -0.04 0.01 -0.02 0.19 0.13 -0.00 0.12 -0.13 -0.02 0.20 0.18 0.00 -0.05 0.09 -0.01 0.00 -0.00 0.03 0.00 -0.02 -0.00 -0.00 0.05 -0.00 -0.00 0.07 0.00 0.00 -0.05 -0.04 -0.00 -0.01 0.19 0.02 -0.13 0.12 0.00 0.13 0.21 0.02 -0.19 -0.06 -0.00 -0.09 -0.00 0.01 0.00 -0.00 0.00 -0.05 0.00 -0.02 0.02 0.00 -0.00 0.05 -0.00 0.00 -0.06 -0.00 0.04 0.01 0.02 -0.19 0.13 0.02 -0.20 0.19 0.00 -0.12 -0.13 -0.00 0.05 0.09 0.01 0.00 -0.00 0.00 0.00 0.05 -0.02 -0.00 -0.02 -0.00 -0.00 -0.05 0.00 0.00 0.06 0.04 0.00 -0.01 -0.18 -0.02 -0.13 -0.20 -0.02 -0.18 -0.11 -0.00 0.12 0.05 0.00 -0.09 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 0.00 0.04 0.03 -0.00 -0.01 -0.01 -0.00 0.01 0.01 0.00 -0.01 0.00 -0.00 -0.01 0.01 0.00 0.04 -0.02 0.00 -0.02 -0.01 0.00 0.01 0.01 -0.00 -0.01 0.00 0.00 -0.01 0.01 -0.00 0.04 -0.02 -0.00 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.02 -0.00 -0.01 0.01 -0.00 0.04 0.03 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.02 0.00 -0.02 -0.00 0.00 -0.02 -0.00 -0.00 -0.06 0.00 -0.01 -0.06 0.00 0.01 0.18 0.00 0.00 -0.01 -0.02 0.00 0.17 0.01 -0.00 -0.01 -0.03 -0.00 -0.00 0.07 0.00 0.09 -0.00 0.00 -0.00 0.08 -0.00 0.08 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.03 -0.00 -0.00 0.03 0.00 -0.03 -0.01 -0.00 0.09 0.00 -0.00 0.09 0.01 0.00 -0.06 -0.05 -0.00 -0.02 0.29 0.03 -0.21 0.19 0.01 0.18 0.33 0.03 -0.28 -0.07 -0.00 -0.14 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.00 0.00 -0.01 -0.00 -0.09 0.03 0.00 0.03 0.02 0.00 0.06 0.00 -0.00 -0.09 -0.06 -0.00 0.02 0.29 0.03 0.21 0.34 0.03 0.28 0.20 0.01 -0.19 -0.07 -0.00 0.14 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.02 0.04 -0.00 0.01 -0.02 -0.00 0.00 -0.00 0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 -0.03 0.04 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.02 0.01 -0.00 -0.01 -0.02 -0.00 -0.03 0.04 0.00 0.01 -0.01 0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.02 0.04 0.00 0.01 -0.02 0.00 -0.01 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.06 0.01 -0.00 -0.06 -0.01 0.00 -0.02 0.00 0.00 -0.02 -0.00 -0.07 -0.00 -0.00 0.00 0.09 -0.00 -0.08 0.00 0.00 0.00 0.08 0.00 -0.00 0.18 0.00 0.02 -0.01 0.00 -0.01 0.18 -0.00 0.03 -0.01 -0.00 0.00 -0.03 0.00 -0.00 0.03 0.03 0.00 -0.01 -0.09 0.00 0.00 -0.09 -0.00 0.01 0.06 0.00 -0.06 0.02 -0.03 0.29 0.21 -0.01 0.19 -0.19 -0.03 0.33 0.28 0.00 -0.07 0.14 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.00 0.00 -0.01 0.09 -0.00 0.03 -0.03 -0.00 0.02 -0.06 0.00 0.00 0.09 0.00 -0.06 -0.02 -0.03 0.29 -0.21 -0.03 0.33 -0.28 -0.01 0.19 0.18 0.00 -0.07 -0.14 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.01 0.00 -0.03 0.02 0.00 0.01 0.03 -0.00 0.01 0.07 -0.00 0.07 0.02 0.00 0.01 -0.02 0.00 -0.02 -0.03 0.00 -0.03 0.01 -0.00 -0.01 -0.07 -0.00 -0.07 -0.02 0.00 -0.01 0.02 0.00 0.02 0.03 0.00 0.03 -0.01 -0.00 -0.07 0.01 -0.00 -0.02 0.07 0.00 0.02 0.01 0.00 0.03 -0.02 0.00 -0.01 -0.03 -0.00 0.07 -0.01 -0.00 0.02 -0.07 0.00 -0.08 -0.00 -0.00 0.07 0.00 -0.00 0.00 -0.08 -0.00 -0.00 0.07 -0.00 -0.32 0.10 -0.01 0.15 -0.32 0.02 0.31 -0.09 -0.01 -0.14 0.31 0.02 -0.09 -0.30 -0.01 0.31 0.14 0.02 0.09 0.33 -0.01 -0.32 -0.15 0.02 -0.03 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.03 0.02 0.01 -0.01 0.02 -0.01 -0.01 0.02 0.02 0.01 -0.00 0.01 0.00 -0.03 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.03 0.01 -0.01 -0.01 -0.01 -0.02 -0.01 0.02 0.00 0.01 0.01 0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 -0.01 0.01 0.01 -0.02 0.01 0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.00 0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.03 0.01 0.02 0.01 0.02 0.01 0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.05 -0.06 0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 -0.02 -0.00 -0.00 -0.00 0.01 0.00 0.06 -0.05 0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 0.02 0.00 -0.00 0.00 -0.01 0.00 -0.06 0.05 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.02 -0.00 -0.01 -0.00 0.00 0.05 0.06 0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.02 -0.00 0.00 0.06 -0.01 -0.00 -0.06 -0.01 -0.06 0.00 -0.01 0.06 -0.00 -0.01 0.11 0.00 0.00 -0.01 -0.05 0.00 -0.10 -0.01 0.00 0.01 0.05 0.00 -0.00 0.10 0.00 0.05 -0.01 0.00 0.00 -0.11 0.00 -0.05 0.01 0.00 0.01 -0.05 -0.00 -0.00 0.01 0.03 0.00 -0.02 -0.07 0.00 0.01 -0.04 -0.00 0.02 0.03 0.00 -0.03 0.01 -0.02 0.20 0.16 -0.01 0.15 -0.11 -0.02 0.26 0.18 -0.00 -0.04 0.10 0.05 0.01 -0.00 -0.01 -0.00 0.03 0.02 0.00 -0.07 -0.01 0.00 -0.04 -0.02 -0.00 0.03 0.03 0.00 0.01 -0.20 -0.02 0.16 -0.15 -0.01 -0.11 -0.26 -0.02 0.18 0.04 -0.00 0.10 -0.01 0.05 -0.00 -0.00 0.02 -0.07 0.00 -0.01 0.03 0.00 -0.02 0.03 -0.00 -0.01 -0.04 -0.00 0.03 0.01 0.02 -0.20 0.16 0.02 -0.26 0.18 0.01 -0.15 -0.11 0.00 0.04 0.10 -0.05 -0.01 -0.00 -0.02 -0.00 -0.07 0.01 0.00 0.03 0.02 0.00 0.03 0.01 -0.00 -0.04 -0.03 -0.00 0.01 0.20 0.02 0.16 0.26 0.02 0.18 0.15 0.01 -0.11 -0.04 0.00 0.10 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 0.00 -0.03 0.01 -0.00 0.03 0.03 -0.00 0.02 -0.00 -0.00 -0.01 0.04 0.00 -0.01 -0.02 0.01 -0.16 -0.08 -0.01 0.18 -0.08 -0.00 0.04 0.08 0.00 0.00 -0.22 0.00 -0.00 0.02 -0.03 -0.00 -0.01 0.03 0.00 -0.03 0.02 0.00 0.00 -0.01 0.00 -0.04 -0.01 -0.00 0.02 -0.15 -0.01 0.08 0.17 0.01 0.08 0.04 0.00 -0.08 0.00 -0.00 0.21 -0.00 -0.00 -0.03 0.00 -0.05 0.04 -0.00 0.04 0.01 0.00 0.01 0.06 0.00 -0.02 -0.00 -0.00 0.01 -0.03 -0.02 0.23 -0.12 0.01 -0.06 0.12 0.02 -0.26 -0.11 -0.01 -0.00 -0.31 -0.01 0.00 0.04 -0.06 -0.01 -0.05 0.06 0.00 -0.01 0.01 -0.00 -0.07 -0.03 -0.00 0.01 0.02 0.00 0.04 0.30 0.03 0.15 -0.09 -0.01 -0.15 -0.34 -0.02 0.15 -0.00 0.01 0.41 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.02 -0.00 0.00 -0.00 -0.01 -0.00 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.03 -0.02 -0.00 0.04 -0.02 -0.00 0.01 0.02 0.00 0.00 -0.04 0.01 -0.00 0.04 -0.07 -0.00 -0.01 0.07 0.01 -0.06 0.04 0.00 0.01 -0.01 0.00 -0.09 -0.02 -0.00 0.05 -0.34 -0.03 0.17 0.39 0.02 0.17 0.10 0.01 -0.18 0.00 -0.01 0.47 -0.00 -0.00 -0.01 0.00 -0.02 0.01 -0.00 0.02 0.00 0.00 0.00 0.02 0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.08 -0.04 0.00 -0.02 0.04 0.01 -0.09 -0.04 -0.00 -0.00 -0.11 0.00 -0.00 -0.03 0.05 0.00 0.04 -0.05 -0.00 0.01 -0.01 0.00 0.06 0.03 0.00 -0.01 -0.02 -0.00 -0.03 -0.25 -0.02 -0.13 0.08 0.01 0.13 0.29 0.02 -0.13 0.00 -0.01 -0.35 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.04 -0.00 0.06 -0.01 0.01 -0.06 -0.05 0.00 -0.03 0.01 0.00 0.01 -0.08 -0.00 0.02 0.04 -0.03 0.31 0.16 0.02 -0.36 0.16 0.01 -0.09 -0.16 -0.01 -0.00 0.43 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.06 0.01 -0.03 -0.07 -0.00 -0.03 -0.02 -0.00 0.03 -0.00 0.00 -0.08 -0.00 -0.00 -0.04 0.01 -0.06 0.05 -0.00 0.06 0.01 0.00 0.01 0.07 0.00 -0.03 -0.01 -0.00 0.02 -0.04 -0.03 0.29 -0.15 0.01 -0.09 0.15 0.02 -0.34 -0.15 -0.01 -0.00 -0.40 0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.00 -0.01 0.01 0.00 0.01 0.03 0.00 -0.01 0.00 -0.00 -0.04 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.02 0.00 0.00 -0.00 0.01 0.00 0.02 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.02 0.00 -0.01 -0.00 0.00 0.00 0.02 0.00 0.01 0.00 0.00 -0.00 0.00 0.03 -0.00 0.05 -0.01 0.00 -0.05 -0.04 0.00 -0.03 0.00 0.00 0.01 -0.06 -0.00 0.02 0.03 -0.02 0.25 0.12 0.02 -0.29 0.13 0.01 -0.08 -0.13 -0.01 -0.00 0.34 -0.00 -0.00 0.03 -0.04 -0.00 -0.01 0.04 0.00 -0.03 0.02 0.00 0.00 -0.01 0.00 -0.05 -0.01 -0.00 0.03 -0.21 -0.02 0.10 0.25 0.01 0.11 0.07 0.01 -0.11 0.00 -0.01 0.29 0.00 -0.00 0.03 -0.00 0.04 -0.03 0.00 -0.04 -0.01 -0.00 -0.01 -0.05 -0.00 0.02 0.00 0.00 -0.01 0.03 0.02 -0.21 0.10 -0.01 0.07 -0.11 -0.01 0.25 0.11 0.01 0.00 0.29 0.00 0.00 0.02 -0.04 -0.00 -0.03 0.04 0.00 -0.01 0.01 -0.00 -0.05 -0.02 -0.00 0.00 0.01 0.00 0.03 0.18 0.02 0.09 -0.07 -0.01 -0.10 -0.22 -0.01 0.09 -0.00 0.01 0.25 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.02 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.03 -0.15 -0.01 0.11 0.35 0.02 0.16 -0.18 -0.02 0.12 -0.03 0.01 -0.41 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.03 0.00 -0.01 -0.00 0.00 0.03 -0.18 -0.02 -0.13 -0.22 -0.02 -0.15 0.42 0.02 -0.20 -0.03 0.01 0.50 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.03 -0.02 -0.00 0.06 -0.03 0.00 -0.03 -0.02 -0.00 -0.01 0.07 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 0.00 -0.03 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.03 0.18 0.02 -0.13 -0.42 -0.02 -0.19 0.22 0.02 -0.15 0.03 -0.01 0.49 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.03 -0.02 -0.00 0.04 -0.03 0.00 -0.07 -0.03 0.00 0.01 0.08 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.02 0.00 -0.01 -0.00 0.00 0.03 -0.15 -0.01 -0.11 -0.18 -0.02 -0.12 0.34 0.02 -0.16 -0.03 0.01 0.40 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 -0.02 0.01 -0.00 0.01 0.00 0.00 0.00 -0.02 -0.01 0.14 0.10 0.02 -0.31 0.15 -0.01 0.17 0.11 0.01 0.03 -0.37 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.02 0.00 0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.02 -0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.03 -0.01 0.00 0.00 0.04 -0.02 0.20 -0.14 -0.02 0.24 -0.16 0.03 -0.45 -0.21 0.01 0.04 0.53 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 0.00 0.01 -0.02 -0.00 0.01 0.00 -0.00 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 0.03 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.03 0.02 -0.20 -0.14 -0.03 0.45 -0.21 0.02 -0.24 -0.16 -0.01 -0.04 0.52 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.03 -0.00 0.02 0.07 0.00 0.03 -0.04 -0.00 0.02 -0.01 0.00 -0.08 -0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.02 -0.01 0.00 0.00 0.02 -0.01 0.13 -0.10 -0.01 0.16 -0.11 0.02 -0.31 -0.14 0.01 0.02 0.36 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.03 0.00 0.02 0.03 0.00 0.02 -0.07 -0.00 0.03 0.01 -0.00 -0.08 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.07 -0.03 -0.00 0.01 0.01 -0.00 -0.04 0.06 0.00 -0.02 -0.00 -0.00 -0.00 0.02 -0.00 0.03 0.07 -0.00 -0.01 0.01 -0.00 -0.06 -0.04 0.00 0.02 0.00 -0.00 0.00 -0.02 -0.00 -0.03 -0.07 -0.00 0.01 -0.01 -0.00 0.06 0.04 0.00 0.00 -0.02 -0.00 -0.02 -0.00 -0.00 -0.07 0.03 -0.00 -0.01 -0.01 -0.00 0.04 -0.06 0.00 -0.00 0.02 -0.00 0.02 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.34 -0.02 0.01 0.06 -0.32 0.01 -0.34 0.02 0.01 -0.06 0.33 0.01 0.02 0.34 0.01 0.33 0.06 0.01 -0.02 -0.34 0.01 -0.32 -0.06 0.01 -0.00 0.03 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.01 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.04 0.01 0.01 -0.07 -0.03 0.00 -0.00 0.00 -0.03 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.01 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.04 0.00 0.01 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 -0.03 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.01 0.01 -0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.07 -0.03 -0.00 0.04 0.01 -0.00 0.00 0.00 0.03 0.00 -0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.07 -0.01 -0.03 -0.04 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.09 -0.00 0.01 -0.05 0.00 -0.01 -0.07 0.00 -0.02 -0.01 0.00 -0.02 0.03 -0.00 0.02 0.08 -0.00 -0.03 0.05 -0.00 -0.02 -0.10 0.00 -0.02 -0.01 -0.00 -0.02 0.03 0.00 0.02 0.08 0.00 -0.03 0.05 0.00 -0.02 -0.10 -0.00 -0.02 -0.03 -0.00 -0.01 0.02 0.00 -0.01 0.09 0.00 0.00 -0.05 -0.00 -0.01 -0.07 -0.00 -0.02 -0.03 0.00 -0.01 0.02 -0.00 0.06 0.01 0.00 0.06 0.01 -0.00 -0.04 -0.02 0.00 -0.04 -0.02 -0.00 0.39 -0.03 0.01 0.04 -0.29 0.01 0.38 -0.03 -0.01 0.04 -0.29 -0.01 -0.02 0.15 0.00 0.27 0.08 0.01 -0.02 0.14 -0.00 0.26 0.08 -0.01 -0.02 -0.02 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.02 -0.00 -0.01 0.06 0.03 0.00 0.00 0.01 0.08 0.01 0.01 0.02 0.00 -0.01 0.05 0.00 0.00 -0.02 -0.00 0.02 -0.04 -0.00 -0.03 -0.01 -0.00 -0.00 0.04 0.01 -0.03 -0.11 -0.01 -0.02 -0.27 -0.02 0.13 -0.01 -0.00 0.03 -0.02 -0.02 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.06 -0.03 -0.01 0.02 0.00 0.00 0.00 -0.01 0.08 0.01 -0.01 0.05 0.00 0.00 0.02 0.00 0.01 -0.04 -0.00 0.03 -0.02 -0.00 -0.02 -0.01 -0.00 0.00 0.04 0.01 0.03 -0.27 -0.02 -0.13 -0.11 -0.01 0.02 -0.01 -0.00 -0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.08 0.03 0.00 -0.05 -0.03 0.00 0.10 -0.02 -0.00 0.03 -0.02 0.00 -0.02 -0.01 -0.00 -0.09 -0.01 -0.00 0.05 0.01 0.00 0.07 -0.01 0.00 0.03 -0.02 -0.00 -0.02 -0.01 0.00 -0.09 -0.00 0.00 0.05 0.01 -0.00 0.07 -0.01 -0.00 0.01 -0.02 0.00 -0.03 -0.02 -0.00 -0.08 0.02 -0.00 -0.05 -0.03 -0.00 0.10 -0.02 0.00 0.01 -0.02 -0.00 -0.03 -0.02 0.00 0.02 -0.04 -0.00 0.02 -0.04 0.00 -0.01 0.06 0.00 -0.01 0.06 -0.00 -0.15 -0.02 -0.00 -0.08 0.27 -0.01 -0.14 -0.02 0.00 -0.08 0.26 0.01 0.03 0.38 0.01 0.29 0.04 0.01 0.03 0.39 -0.01 0.29 0.04 -0.01 -0.01 0.08 -0.01 -0.00 0.02 0.01 -0.00 0.05 0.00 0.00 -0.02 -0.02 0.00 -0.04 0.03 0.00 -0.01 0.00 -0.01 0.04 0.03 0.01 -0.11 0.02 0.02 -0.27 -0.13 0.00 -0.01 -0.03 0.02 -0.02 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.02 -0.01 -0.00 -0.06 -0.01 0.03 -0.00 0.00 0.01 -0.01 0.08 0.01 -0.00 0.05 -0.00 -0.00 0.02 -0.01 0.00 -0.04 -0.03 0.00 -0.02 0.02 0.00 -0.01 -0.00 -0.01 0.04 -0.03 0.02 -0.27 0.13 0.01 -0.11 -0.02 0.00 -0.01 0.03 0.02 -0.02 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.06 -0.01 -0.03 -0.02 -0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.04 -0.00 0.02 -0.02 -0.00 -0.04 -0.02 0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 0.04 -0.01 0.00 -0.02 -0.02 0.00 -0.02 0.04 -0.00 0.01 -0.00 0.00 -0.01 0.01 0.00 -0.04 0.01 0.00 0.02 0.02 0.00 0.02 -0.04 -0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.04 -0.00 -0.02 0.02 -0.00 0.04 0.02 0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.00 0.05 0.01 0.00 -0.05 0.01 0.05 0.01 -0.01 -0.05 -0.00 -0.01 -0.05 0.01 -0.00 0.01 -0.03 0.00 0.05 -0.01 -0.00 -0.01 0.04 0.00 0.01 0.05 0.00 -0.03 -0.01 -0.00 -0.01 -0.05 0.00 0.04 0.01 -0.00 -0.01 0.08 -0.04 -0.00 0.01 0.02 -0.01 0.08 -0.01 0.00 -0.02 -0.01 0.00 -0.04 0.04 0.00 -0.02 0.01 -0.01 0.15 0.12 0.00 -0.07 0.01 0.03 -0.37 -0.18 0.00 -0.01 -0.07 0.08 0.01 0.04 0.01 0.00 -0.02 0.08 0.01 0.01 -0.02 -0.00 0.01 -0.04 -0.00 -0.04 -0.02 -0.00 -0.01 0.15 0.01 -0.12 -0.07 -0.00 -0.01 -0.38 -0.03 0.18 -0.01 -0.00 0.07 0.01 -0.08 -0.04 0.01 -0.08 -0.01 0.00 -0.01 0.02 -0.00 0.04 0.04 -0.00 0.02 -0.01 -0.00 0.02 0.01 0.01 -0.15 0.12 -0.03 0.38 -0.18 -0.00 0.07 0.01 -0.00 0.01 -0.07 -0.08 -0.01 0.04 -0.08 -0.01 0.01 -0.01 -0.00 -0.02 0.04 0.00 -0.04 0.02 0.00 0.01 0.02 0.00 -0.01 -0.15 -0.01 -0.12 0.38 0.03 0.18 0.07 0.00 -0.01 0.01 0.00 0.07 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 -0.12 0.00 0.08 0.10 -0.00 -0.12 0.01 0.00 0.02 -0.02 0.00 0.03 -0.02 0.00 -0.12 -0.03 -0.00 0.10 -0.08 0.00 0.01 0.12 -0.00 -0.02 0.02 0.00 -0.03 0.02 0.00 0.12 0.03 -0.00 -0.10 0.08 0.00 -0.01 -0.12 -0.00 -0.02 -0.02 -0.00 -0.02 -0.03 -0.00 -0.03 0.12 0.00 -0.08 -0.10 -0.00 0.12 -0.01 0.00 0.02 0.02 -0.00 0.02 0.03 -0.00 -0.06 -0.01 0.00 0.06 0.01 -0.00 -0.01 0.06 -0.00 0.01 -0.06 -0.00 -0.32 -0.01 -0.01 -0.04 0.31 -0.01 0.31 0.01 -0.01 0.04 -0.31 -0.01 -0.01 0.32 0.01 0.31 0.04 0.01 0.01 -0.32 0.01 -0.31 -0.04 0.01 -0.02 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 0.01 0.00 0.00 0.00 -0.01 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.02 0.01 -0.01 0.00 -0.00 -0.00 0.02 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.04 -0.00 -0.05 -0.05 0.00 0.06 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.05 0.02 0.00 -0.04 0.02 -0.00 0.00 -0.02 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.05 0.02 -0.00 -0.04 0.02 0.00 0.00 -0.02 -0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.04 0.00 -0.05 -0.05 -0.00 0.06 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.00 0.03 0.01 0.00 0.03 0.01 -0.00 0.05 0.01 -0.01 0.05 0.01 0.01 0.09 -0.01 0.00 0.00 -0.10 0.00 0.09 -0.01 -0.00 0.00 -0.10 -0.00 -0.01 0.14 0.00 0.13 0.03 0.00 -0.01 0.14 -0.00 0.13 0.03 -0.01 -0.01 -0.01 0.01 0.00 0.00 -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.05 -0.04 -0.00 0.00 0.00 -0.01 0.08 0.04 -0.00 0.00 0.02 -0.04 -0.00 -0.07 0.00 -0.00 0.03 -0.09 -0.01 -0.01 0.02 0.00 0.00 0.03 0.00 0.04 0.02 0.00 0.01 -0.28 -0.03 0.23 -0.00 -0.00 -0.01 0.45 0.04 -0.23 0.02 0.00 -0.11 -0.01 -0.01 -0.01 0.00 -0.02 -0.00 0.00 0.00 0.01 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.05 0.04 -0.01 0.09 -0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.04 -0.00 0.07 -0.09 -0.01 0.01 0.00 -0.00 -0.03 0.03 0.00 -0.04 0.02 0.00 -0.00 0.02 0.00 -0.01 -0.27 -0.03 -0.22 0.44 0.04 0.23 -0.00 -0.00 0.01 0.02 0.00 0.11 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.05 -0.00 -0.02 -0.04 0.00 0.02 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 -0.04 -0.01 -0.00 0.05 -0.05 0.00 0.01 0.06 -0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.04 -0.01 0.00 0.05 -0.05 -0.00 0.01 0.06 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.02 0.05 0.00 -0.02 -0.04 -0.00 0.02 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.01 0.05 0.01 -0.01 0.05 -0.01 -0.01 0.03 0.00 -0.01 0.03 -0.00 -0.14 -0.01 -0.00 -0.03 0.13 -0.00 -0.14 -0.01 0.00 -0.03 0.13 0.01 0.01 0.09 0.00 0.10 0.00 0.00 0.01 0.10 -0.00 0.10 0.00 -0.00 0.00 -0.04 0.07 0.00 0.00 -0.03 0.01 -0.09 0.01 -0.00 0.02 -0.00 -0.00 0.03 -0.04 -0.00 0.02 -0.01 0.03 -0.27 -0.22 0.00 -0.00 0.01 -0.04 0.44 0.23 -0.00 0.02 0.11 0.01 -0.01 0.01 -0.00 0.00 -0.01 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.05 -0.00 -0.04 -0.00 -0.00 0.00 -0.08 -0.01 0.04 -0.00 -0.00 0.02 0.00 -0.05 -0.07 0.01 -0.09 -0.01 0.00 0.00 0.03 -0.00 0.03 0.04 -0.00 0.02 0.00 -0.00 0.02 0.01 0.03 -0.28 0.23 -0.04 0.45 -0.23 0.00 -0.00 -0.01 -0.00 0.02 -0.11 0.01 -0.01 -0.01 0.02 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.05 0.00 0.04 -0.09 -0.01 -0.05 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.00 0.02 0.03 -0.00 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.00 0.00 -0.03 0.03 -0.00 0.00 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.00 0.00 0.03 -0.03 -0.00 -0.00 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 -0.03 -0.03 -0.00 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.01 -0.00 0.04 -0.01 0.03 0.00 -0.01 -0.03 -0.00 -0.01 0.03 0.00 0.00 0.00 -0.03 0.00 -0.04 -0.00 0.00 -0.00 0.04 0.00 -0.00 0.04 0.00 0.03 0.00 0.00 0.00 -0.03 0.00 -0.03 -0.00 0.00 0.00 -0.03 0.06 0.00 0.00 -0.02 0.01 -0.07 0.01 -0.00 0.01 -0.00 -0.00 0.02 -0.03 -0.00 0.02 -0.01 0.02 -0.23 -0.18 0.00 -0.02 0.01 -0.03 0.34 0.18 -0.00 0.01 0.09 0.03 0.00 0.06 -0.00 0.00 -0.02 0.07 0.00 0.01 -0.01 -0.00 -0.00 -0.02 -0.00 -0.03 -0.02 -0.00 -0.01 0.22 0.02 -0.18 0.02 0.00 0.01 -0.33 -0.03 0.17 -0.01 -0.00 0.09 -0.00 0.03 0.05 -0.00 0.07 0.01 -0.00 -0.00 -0.02 0.00 -0.02 -0.03 0.00 -0.01 -0.00 0.00 -0.02 -0.01 -0.02 0.22 -0.18 0.03 -0.33 0.17 -0.00 0.02 0.01 0.00 -0.01 0.08 -0.03 -0.00 0.06 -0.07 -0.00 0.01 0.00 -0.00 -0.02 0.02 0.00 -0.03 0.01 0.00 -0.00 0.02 0.00 -0.01 -0.22 -0.02 -0.18 0.33 0.03 0.17 -0.02 -0.00 0.01 0.01 0.00 0.08 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.04 0.00 -0.02 0.02 0.00 0.05 0.02 -0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.04 0.01 -0.00 0.02 0.02 -0.00 0.02 -0.05 0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 0.05 -0.01 -0.00 -0.02 -0.02 -0.00 -0.01 0.04 0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.01 0.04 0.00 0.02 -0.02 0.00 -0.04 -0.02 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.04 0.01 -0.00 0.04 0.01 -0.04 -0.00 -0.01 0.04 0.00 -0.01 0.04 -0.00 -0.00 -0.01 0.03 -0.00 -0.04 0.00 -0.00 0.01 -0.04 -0.00 -0.00 -0.04 0.00 0.03 0.01 0.00 0.00 0.04 0.00 -0.03 -0.01 0.00 0.01 -0.08 -0.07 0.00 -0.03 0.01 -0.00 0.02 0.00 -0.00 0.01 0.04 -0.00 0.02 0.00 0.00 -0.01 0.01 -0.03 0.30 0.25 -0.01 0.19 -0.04 0.01 -0.12 -0.09 0.00 0.00 -0.09 -0.08 -0.01 0.07 -0.03 -0.00 -0.01 0.02 0.00 -0.00 0.01 0.00 -0.04 0.02 0.00 -0.00 -0.01 -0.00 -0.01 0.31 0.03 -0.25 0.19 0.01 0.04 -0.12 -0.01 0.09 0.00 -0.00 0.09 -0.01 0.08 -0.07 0.00 -0.02 0.00 -0.00 0.03 0.01 0.00 -0.02 0.00 0.00 -0.01 0.04 -0.00 0.01 0.01 0.03 -0.31 0.25 -0.01 0.12 -0.09 0.01 -0.19 -0.04 -0.00 -0.00 -0.09 0.08 0.01 0.07 -0.02 -0.00 -0.00 0.03 0.00 -0.01 -0.02 -0.00 -0.00 -0.01 -0.00 -0.04 0.01 0.00 -0.01 -0.30 -0.03 -0.25 0.12 0.01 0.09 -0.19 -0.01 0.04 -0.00 0.00 0.09 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.06 0.03 -0.00 -0.09 -0.01 0.00 0.02 -0.00 0.00 0.01 0.02 -0.00 -0.09 -0.01 -0.00 0.06 -0.01 0.00 -0.01 -0.00 -0.00 0.02 -0.00 -0.00 0.01 0.02 0.00 -0.09 -0.01 0.00 0.06 -0.01 -0.00 -0.01 0.00 0.00 0.02 -0.01 -0.00 0.01 0.01 0.00 -0.01 -0.01 -0.00 0.06 0.03 0.00 -0.09 -0.01 -0.00 0.02 -0.01 0.00 0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.07 -0.01 -0.02 -0.07 -0.01 0.02 -0.02 -0.00 0.00 0.00 0.08 -0.00 -0.02 -0.00 -0.00 0.00 0.08 0.00 0.01 -0.08 0.00 -0.03 -0.00 0.00 0.01 -0.08 -0.00 -0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.13 0.01 -0.10 0.05 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.06 -0.04 -0.00 -0.00 0.01 0.00 0.01 -0.42 -0.04 0.34 -0.28 -0.02 -0.06 0.12 0.01 -0.11 -0.00 0.00 -0.12 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.13 0.01 0.10 -0.01 -0.00 -0.00 0.05 0.00 -0.01 -0.04 -0.00 0.00 -0.01 -0.00 -0.06 0.01 0.00 -0.01 -0.42 -0.04 -0.35 0.12 0.01 0.11 -0.28 -0.02 0.06 -0.00 0.00 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.09 0.00 0.01 0.06 -0.00 0.00 -0.01 0.00 0.01 0.02 0.00 -0.01 0.01 -0.00 0.01 -0.01 0.00 -0.03 0.06 -0.00 0.01 -0.09 0.00 0.01 0.02 -0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 -0.03 0.06 0.00 0.01 -0.09 -0.00 0.00 0.02 0.00 -0.02 0.01 -0.00 0.01 -0.09 -0.00 0.01 0.06 0.00 0.00 -0.01 -0.00 0.00 0.02 -0.00 -0.02 0.01 0.00 0.01 -0.07 0.02 0.01 -0.07 -0.02 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.08 0.01 -0.00 0.00 -0.03 -0.00 0.08 0.01 0.00 0.00 -0.03 0.00 0.00 -0.02 0.00 -0.08 0.00 -0.00 0.00 -0.02 -0.00 -0.08 0.00 0.00 -0.01 0.13 0.10 -0.00 0.05 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.06 0.00 -0.04 0.00 -0.00 0.01 -0.01 0.04 -0.42 -0.35 0.02 -0.28 0.06 -0.01 0.12 0.11 -0.00 -0.00 0.12 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.13 -0.10 0.00 -0.01 0.00 -0.00 0.05 0.01 0.00 -0.04 -0.00 0.00 -0.01 0.06 -0.00 0.01 0.01 0.04 -0.42 0.34 -0.01 0.12 -0.11 0.02 -0.28 -0.06 -0.00 -0.00 -0.12 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.02 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.07 -0.00 -0.06 -0.07 0.00 0.07 0.02 -0.00 -0.01 -0.02 -0.00 0.02 0.01 -0.00 -0.07 0.01 -0.00 0.07 -0.06 0.00 -0.02 0.07 -0.00 0.01 0.02 -0.00 -0.02 -0.01 -0.00 0.07 -0.01 -0.00 -0.07 0.06 0.00 0.02 -0.07 -0.00 0.02 -0.01 -0.00 -0.01 0.02 -0.00 -0.01 -0.07 -0.00 0.06 0.07 0.00 -0.07 -0.02 -0.00 -0.02 0.01 -0.00 0.01 -0.02 -0.00 -0.01 0.07 -0.01 0.01 -0.07 -0.01 -0.07 -0.01 -0.01 0.07 0.01 -0.01 -0.01 -0.02 0.00 0.02 0.01 0.00 0.01 0.02 0.00 -0.02 -0.01 0.00 0.02 -0.01 0.00 -0.01 0.02 0.00 -0.02 0.01 0.00 0.01 -0.02 0.00 -0.01 0.11 0.07 -0.00 0.04 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.05 0.00 -0.03 0.01 0.00 0.00 -0.01 0.03 -0.29 -0.24 0.01 -0.22 0.05 -0.00 0.02 0.05 -0.00 -0.01 0.08 -0.10 -0.01 0.07 -0.04 -0.00 0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.04 0.03 0.00 0.01 -0.00 0.00 -0.01 0.29 0.03 -0.23 0.22 0.01 0.05 -0.02 -0.00 0.05 0.01 -0.00 0.07 0.01 -0.10 0.07 0.00 -0.01 -0.01 0.00 -0.04 0.00 -0.00 0.03 0.01 -0.00 0.01 -0.04 -0.00 -0.00 -0.01 -0.03 0.29 -0.24 0.00 -0.02 0.05 -0.01 0.22 0.05 0.00 0.01 0.07 0.10 0.01 0.07 0.01 0.00 -0.01 0.04 0.00 0.00 -0.03 -0.00 0.01 -0.01 -0.00 -0.04 0.00 -0.00 -0.01 -0.29 -0.03 -0.24 0.02 0.00 0.05 -0.22 -0.01 0.05 -0.01 0.00 0.08 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.09 0.24 -0.00 0.12 -0.11 -0.00 -0.25 0.06 0.01 0.07 0.08 -0.00 0.07 0.08 0.00 -0.24 -0.09 -0.00 0.11 0.12 -0.00 -0.06 -0.25 0.01 -0.07 -0.08 -0.00 -0.07 -0.08 0.00 0.24 0.09 -0.00 -0.11 -0.12 -0.00 0.06 0.25 0.01 -0.08 0.07 -0.00 -0.08 0.07 0.00 0.09 -0.24 -0.00 -0.12 0.11 -0.00 0.25 -0.06 0.01 0.08 -0.07 -0.00 0.08 -0.07 0.00 -0.03 -0.00 -0.00 0.03 0.00 -0.00 0.00 -0.03 -0.00 -0.00 0.03 -0.00 0.17 0.09 0.00 0.07 0.16 -0.00 -0.17 -0.09 0.00 -0.07 -0.16 -0.00 -0.09 0.17 0.00 -0.16 0.07 -0.00 0.09 -0.17 0.00 0.16 -0.07 -0.00 0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.14 0.20 -0.00 0.09 -0.11 0.00 -0.17 0.13 0.00 0.11 0.09 0.00 -0.03 -0.09 0.00 0.07 -0.05 0.00 -0.05 0.09 -0.00 0.01 -0.15 0.00 0.11 0.09 -0.00 -0.03 -0.09 -0.00 0.07 -0.05 -0.00 -0.05 0.09 0.00 0.01 -0.15 -0.00 0.07 -0.03 0.00 0.10 -0.09 -0.00 -0.14 0.20 0.00 0.09 -0.11 -0.00 -0.17 0.13 -0.00 0.07 -0.03 -0.00 0.10 -0.09 0.00 -0.05 -0.03 0.00 -0.05 -0.02 -0.00 0.03 0.03 0.00 0.03 0.03 -0.00 -0.29 0.12 -0.01 -0.11 0.31 -0.01 -0.29 0.11 0.01 -0.11 0.31 0.02 0.09 -0.16 -0.00 0.02 -0.13 -0.00 0.09 -0.16 0.00 0.02 -0.13 0.00 -0.01 0.01 0.01 0.00 0.01 0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.02 -0.00 -0.03 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.01 -0.02 0.01 0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.05 0.01 -0.04 0.05 0.01 0.01 0.02 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.01 0.00 0.01 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.03 0.02 -0.00 -0.01 -0.00 -0.00 -0.03 -0.01 0.00 -0.00 -0.01 -0.02 0.01 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.05 0.01 0.04 0.02 0.00 0.00 0.05 0.01 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.05 -0.07 0.00 0.09 0.05 -0.00 -0.15 -0.01 0.00 -0.03 -0.07 0.00 -0.09 -0.10 -0.00 0.20 0.14 0.00 -0.11 -0.09 -0.00 0.13 0.17 -0.00 -0.03 -0.08 -0.00 -0.09 -0.09 0.00 0.20 0.14 -0.00 -0.11 -0.09 0.00 0.13 0.17 0.00 0.09 -0.11 -0.00 -0.09 0.03 -0.00 -0.05 -0.07 -0.00 0.09 0.05 0.00 -0.15 -0.01 -0.00 0.09 -0.11 0.00 -0.09 0.03 0.00 0.03 -0.03 0.00 0.03 -0.03 -0.00 -0.02 0.05 -0.00 -0.02 0.05 0.00 -0.16 -0.09 -0.00 -0.13 -0.02 -0.00 -0.16 -0.09 0.00 -0.13 -0.02 0.00 0.12 0.30 0.01 0.32 0.11 0.02 0.12 0.30 -0.01 0.31 0.11 -0.01 0.01 0.02 0.01 -0.00 0.01 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.05 -0.04 0.01 -0.05 0.01 0.00 -0.02 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.01 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.00 0.02 -0.03 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.02 -0.01 -0.00 0.01 0.01 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 -0.05 0.04 0.00 -0.02 0.00 0.01 -0.05 -0.01 -0.00 -0.00 -0.01 0.01 0.01 0.01 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.03 -0.00 -0.02 -0.01 0.00 0.00 -0.03 0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.00 0.01 0.01 0.00 -0.01 0.00 0.00 0.02 0.02 -0.00 -0.02 -0.03 -0.00 0.06 -0.00 0.00 -0.03 0.02 0.00 0.01 -0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 -0.01 0.02 -0.00 0.01 -0.02 -0.00 0.00 0.02 0.00 -0.02 -0.01 0.00 0.05 0.01 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.02 0.00 0.00 -0.00 -0.06 0.02 0.00 -0.03 0.04 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.04 0.00 -0.03 -0.03 -0.00 0.01 0.02 -0.00 0.01 0.01 0.00 -0.00 -0.02 0.09 0.00 -0.05 -0.04 -0.00 0.06 -0.04 -0.00 0.04 -0.02 0.00 -0.04 -0.03 -0.00 -0.01 0.06 -0.00 0.02 0.00 -0.00 0.01 -0.01 0.00 -0.03 -0.02 0.00 0.00 -0.09 0.00 -0.00 0.02 0.01 0.00 -0.01 -0.02 -0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.01 0.00 -0.00 0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 -0.02 0.00 0.05 0.22 0.01 -0.16 -0.11 -0.01 0.12 -0.11 -0.01 0.10 -0.07 0.01 -0.11 -0.05 0.00 0.02 0.16 0.01 -0.06 0.01 -0.01 0.08 -0.06 0.00 -0.02 -0.02 -0.00 -0.01 -0.22 -0.08 0.00 0.38 0.28 0.02 -0.20 -0.21 -0.02 -0.20 -0.17 -0.02 -0.12 0.19 0.01 -0.09 -0.03 0.00 0.28 0.10 0.01 0.02 -0.15 -0.01 -0.10 0.04 0.00 -0.03 0.01 -0.01 -0.38 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.05 0.00 0.01 0.03 0.00 -0.01 -0.01 0.00 0.02 0.00 -0.00 -0.01 0.01 0.00 -0.02 -0.00 -0.00 0.01 0.02 0.00 0.01 -0.04 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.01 -0.02 -0.00 0.01 -0.01 0.00 -0.02 0.01 0.00 -0.00 -0.03 -0.00 0.01 0.01 -0.00 -0.03 -0.01 -0.00 0.02 -0.01 0.00 -0.03 0.01 -0.00 0.00 0.01 -0.02 0.00 0.01 0.01 0.00 0.01 0.01 0.00 0.01 -0.00 -0.01 0.00 0.00 -0.01 0.02 -0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.00 0.02 0.04 -0.00 0.04 0.02 -0.00 0.02 0.05 -0.00 0.03 0.03 0.00 0.00 0.03 -0.16 -0.01 0.09 0.08 0.01 -0.12 0.08 0.01 -0.08 0.04 -0.01 0.07 0.05 0.00 0.01 -0.12 0.00 -0.04 -0.01 0.00 -0.02 0.01 -0.01 0.06 0.04 -0.00 -0.01 0.16 0.01 -0.00 0.07 0.04 0.00 -0.04 -0.05 -0.00 -0.04 -0.04 -0.00 -0.02 0.03 0.00 -0.02 0.01 -0.00 0.05 -0.02 -0.00 0.00 -0.01 -0.00 -0.00 0.03 0.00 -0.02 -0.00 0.00 -0.07 0.00 0.08 0.37 0.01 -0.27 -0.19 -0.02 0.20 -0.19 -0.02 0.17 -0.12 0.01 -0.19 -0.09 0.01 0.03 0.27 0.01 -0.10 0.02 -0.01 0.14 -0.10 0.00 -0.04 -0.03 -0.01 -0.01 -0.37 0.04 -0.00 -0.18 -0.13 -0.01 0.09 0.10 0.01 0.09 0.08 0.01 0.06 -0.09 -0.01 0.04 0.01 -0.00 -0.13 -0.05 -0.01 -0.01 0.07 0.01 0.05 -0.02 -0.00 0.01 -0.01 0.00 0.18 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.01 0.00 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.02 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.03 -0.02 -0.00 0.02 0.02 -0.00 -0.04 0.01 0.00 0.02 -0.02 0.00 -0.01 0.05 0.00 -0.01 -0.00 0.00 0.02 -0.00 -0.00 0.00 0.05 0.00 0.00 -0.02 0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.01 -0.01 -0.02 0.00 -0.00 0.01 0.01 -0.01 -0.01 0.02 -0.00 0.00 0.01 -0.01 -0.00 0.05 -0.03 0.00 0.03 -0.05 0.00 -0.01 -0.03 -0.00 -0.01 -0.01 0.00 0.00 0.02 0.00 0.01 0.02 0.00 -0.00 -0.08 0.37 0.02 -0.21 -0.19 -0.02 0.27 -0.19 -0.01 0.19 -0.09 0.02 -0.17 -0.12 -0.00 -0.03 0.27 -0.01 0.10 0.02 -0.00 0.04 -0.03 0.01 -0.14 -0.10 0.01 0.02 -0.37 0.04 -0.00 0.20 0.11 0.01 -0.10 -0.15 -0.01 -0.10 -0.10 -0.01 -0.05 0.09 0.01 -0.06 0.02 -0.00 0.15 -0.05 -0.00 0.01 -0.02 -0.00 -0.01 0.08 0.01 -0.05 -0.01 0.00 -0.20 -0.00 0.01 0.06 0.00 -0.04 -0.03 -0.00 0.03 -0.03 -0.00 0.03 -0.02 0.00 -0.03 -0.02 0.00 0.00 0.05 0.00 -0.02 0.00 -0.00 0.02 -0.02 0.00 -0.01 -0.01 -0.00 -0.00 -0.06 0.03 -0.00 -0.13 -0.10 -0.01 0.07 0.07 0.01 0.07 0.06 0.01 0.04 -0.07 -0.00 0.03 0.01 -0.00 -0.10 -0.04 -0.00 -0.01 0.05 0.00 0.04 -0.02 -0.00 0.01 -0.01 0.00 0.13 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.02 -0.00 0.00 -0.05 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.02 -0.00 0.00 -0.01 0.00 0.01 0.02 -0.00 -0.05 -0.00 0.00 0.02 0.01 0.00 -0.00 -0.02 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.02 -0.00 -0.01 0.01 -0.00 0.01 -0.01 0.00 0.01 -0.02 -0.00 -0.00 0.01 0.00 0.01 0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.01 0.00 -0.02 0.00 -0.01 -0.00 0.00 -0.02 0.00 0.03 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.02 0.00 0.00 0.01 -0.00 0.01 0.02 0.00 0.03 0.02 -0.00 0.00 0.04 -0.16 -0.01 0.09 0.09 0.01 -0.12 0.09 0.01 -0.08 0.04 -0.01 0.08 0.05 0.00 0.01 -0.12 0.00 -0.05 -0.01 0.00 -0.02 0.01 -0.01 0.06 0.04 -0.00 -0.01 0.16 0.09 -0.01 0.39 0.22 0.02 -0.20 -0.29 -0.02 -0.20 -0.20 -0.01 -0.10 0.18 0.02 -0.13 0.03 -0.01 0.29 -0.11 -0.01 0.02 -0.05 -0.00 -0.03 0.15 0.01 -0.11 -0.02 0.01 -0.39 -0.00 -0.03 -0.11 -0.00 0.08 0.06 0.01 -0.06 0.06 0.00 -0.05 0.04 -0.00 0.06 0.03 -0.00 -0.01 -0.08 -0.00 0.03 -0.01 0.00 -0.04 0.03 -0.00 0.02 0.01 0.00 0.00 0.11 -0.02 0.00 0.08 0.06 0.00 -0.04 -0.04 -0.00 -0.04 -0.04 -0.00 -0.03 0.04 0.00 -0.02 -0.01 0.00 0.06 0.02 0.00 0.01 -0.03 -0.00 -0.02 0.01 0.00 -0.01 0.00 -0.00 -0.08 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.07 -0.00 -0.02 -0.02 0.00 0.07 -0.01 -0.00 0.11 0.06 0.00 -0.04 -0.12 0.00 0.07 0.03 0.00 -0.02 0.02 -0.00 -0.01 -0.07 0.00 -0.11 -0.06 0.00 0.05 0.12 0.00 -0.07 -0.03 0.00 0.02 -0.02 -0.00 0.01 0.07 0.00 0.06 -0.11 -0.00 -0.12 0.05 -0.00 0.03 -0.07 -0.00 0.02 0.02 0.00 -0.07 0.01 -0.00 -0.06 0.11 -0.00 0.12 -0.05 -0.00 -0.07 -0.01 0.00 0.07 0.01 0.00 -0.01 0.07 -0.00 0.01 -0.07 -0.00 -0.31 0.08 -0.01 -0.13 0.28 -0.01 0.31 -0.08 -0.01 0.13 -0.29 -0.01 0.08 0.31 0.01 0.29 0.13 0.01 -0.08 -0.31 0.01 -0.28 -0.13 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.17 0.14 -0.00 0.09 -0.07 -0.00 -0.18 0.14 0.00 -0.05 -0.09 0.00 -0.07 -0.05 -0.00 0.14 0.17 0.00 -0.08 -0.09 0.00 0.14 0.18 -0.00 0.05 0.09 0.00 0.07 0.05 -0.00 -0.14 -0.17 0.00 0.07 0.09 0.00 -0.14 -0.18 -0.00 -0.09 0.05 -0.00 -0.05 0.07 0.00 0.17 -0.14 -0.00 -0.09 0.08 -0.00 0.18 -0.14 0.00 0.09 -0.05 -0.00 0.05 -0.07 0.00 0.01 -0.12 0.00 -0.02 0.12 0.00 -0.12 -0.01 -0.00 0.12 0.01 -0.00 -0.05 -0.11 0.00 -0.09 -0.10 0.00 0.05 0.11 0.00 0.09 0.10 0.00 -0.11 0.05 -0.00 -0.10 0.09 -0.00 0.11 -0.05 -0.00 0.09 -0.09 -0.00 0.00 -0.03 0.01 0.00 -0.04 -0.04 0.00 -0.02 0.01 -0.00 -0.01 0.02 -0.00 0.01 -0.03 -0.00 0.01 0.03 -0.01 0.14 0.08 -0.01 0.16 -0.05 -0.00 0.05 -0.00 0.00 0.03 -0.09 -0.03 -0.00 -0.01 -0.04 -0.00 0.04 -0.02 -0.00 -0.01 -0.01 0.00 -0.02 0.01 0.00 0.03 0.01 0.00 -0.03 0.14 0.01 -0.08 0.16 0.01 0.05 0.05 0.00 0.00 0.03 -0.00 0.09 -0.00 0.03 0.01 -0.00 0.02 0.01 -0.00 0.04 -0.04 0.00 -0.01 -0.03 0.00 0.01 0.02 0.00 -0.01 0.03 0.01 -0.14 0.08 0.00 -0.05 -0.00 0.01 -0.16 -0.05 -0.00 -0.03 -0.09 0.03 0.00 -0.01 0.03 0.00 -0.01 0.04 0.00 0.04 -0.01 -0.00 0.03 0.01 -0.00 -0.02 -0.01 -0.00 -0.03 -0.14 -0.01 -0.08 -0.05 -0.00 0.00 -0.16 -0.01 0.05 -0.03 0.00 0.09 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.10 -0.00 -0.02 -0.03 0.00 0.11 -0.00 -0.00 -0.08 -0.07 -0.00 0.05 0.10 -0.00 -0.11 -0.03 -0.00 0.03 -0.02 0.00 0.00 0.11 -0.00 0.08 0.07 -0.00 -0.05 -0.09 -0.00 0.11 0.03 -0.00 -0.03 0.03 0.00 -0.01 -0.12 -0.00 0.07 -0.08 -0.00 -0.10 0.05 -0.00 0.03 -0.11 -0.00 0.02 0.03 0.00 -0.12 0.00 -0.00 -0.06 0.07 -0.00 0.09 -0.05 -0.00 0.02 -0.13 0.00 -0.01 0.14 0.00 0.14 0.02 0.00 -0.13 -0.01 0.00 0.19 -0.09 0.01 0.11 -0.19 0.01 -0.19 0.09 0.01 -0.11 0.19 0.01 0.09 0.20 0.01 0.20 0.12 0.01 -0.08 -0.18 0.01 -0.18 -0.11 0.01 0.00 -0.03 0.01 0.00 -0.04 -0.05 0.00 -0.03 0.01 0.00 -0.01 0.02 0.00 0.01 -0.03 -0.00 0.02 0.04 -0.01 0.15 0.09 -0.01 0.18 -0.06 -0.00 0.07 0.00 -0.00 0.03 -0.10 0.03 0.00 0.01 0.04 0.00 -0.04 0.03 0.00 0.01 0.01 0.00 0.02 -0.01 0.00 -0.03 -0.02 -0.00 0.03 -0.14 -0.01 0.08 -0.17 -0.01 -0.06 -0.06 -0.00 0.00 -0.03 -0.00 -0.09 -0.00 0.03 0.01 -0.00 0.03 0.01 -0.00 0.04 -0.04 -0.00 -0.01 -0.03 -0.00 0.01 0.02 0.00 -0.02 0.03 0.01 -0.14 0.08 0.00 -0.06 0.00 0.01 -0.17 -0.06 -0.00 -0.03 -0.09 -0.03 -0.00 0.01 -0.03 -0.00 0.01 -0.04 -0.00 -0.05 0.01 -0.00 -0.03 -0.01 -0.00 0.02 0.02 0.00 0.03 0.15 0.01 0.09 0.07 0.00 0.00 0.18 0.01 -0.06 0.03 0.00 -0.10 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.05 -0.14 0.00 0.01 0.04 -0.00 -0.10 0.00 0.00 0.09 0.03 0.00 -0.02 0.02 -0.00 -0.05 -0.05 -0.00 0.03 0.05 -0.00 -0.05 -0.14 0.00 0.08 0.03 -0.00 -0.02 0.02 0.00 -0.06 -0.05 0.00 0.04 0.05 0.00 -0.05 -0.13 -0.00 0.07 -0.09 -0.00 -0.13 0.06 -0.00 0.05 -0.14 -0.00 0.01 0.03 0.00 -0.08 0.00 -0.00 0.08 -0.10 0.00 -0.14 0.06 0.00 0.02 0.16 -0.00 0.02 0.15 0.00 0.07 0.06 0.00 0.08 0.06 -0.00 -0.08 0.05 -0.00 -0.03 0.09 -0.00 -0.07 0.04 0.00 -0.03 0.07 0.00 0.10 0.27 0.01 0.25 0.14 0.01 0.11 0.29 -0.01 0.27 0.15 -0.01 -0.00 -0.03 0.02 0.01 -0.05 -0.05 0.00 -0.04 0.01 0.00 -0.01 0.03 0.00 0.01 -0.04 -0.00 0.02 0.04 -0.02 0.17 0.10 -0.01 0.21 -0.07 -0.01 0.07 -0.00 -0.00 0.04 -0.11 -0.02 -0.01 -0.01 -0.03 -0.00 0.03 -0.02 -0.00 -0.01 -0.01 0.00 -0.02 0.01 0.00 0.02 0.01 0.00 -0.02 0.10 0.00 -0.06 0.13 0.01 0.05 0.04 0.00 0.00 0.02 -0.00 0.07 -0.00 -0.03 -0.02 0.00 -0.04 -0.02 0.01 -0.05 0.06 0.00 0.01 0.04 0.00 -0.02 -0.03 -0.00 0.02 -0.04 -0.02 0.18 -0.10 -0.01 0.08 0.00 -0.01 0.22 0.08 0.00 0.04 0.12 -0.01 -0.01 0.01 -0.02 -0.00 0.01 -0.02 -0.00 -0.03 0.01 0.00 -0.02 -0.01 0.00 0.02 0.01 0.00 0.02 0.09 0.00 0.05 0.04 0.00 -0.00 0.11 0.01 -0.04 0.02 -0.00 -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.05 0.06 -0.00 0.05 -0.03 -0.00 -0.14 0.05 0.00 -0.09 -0.08 -0.00 0.06 0.14 -0.00 -0.14 -0.05 -0.00 0.03 -0.01 0.00 0.00 0.09 -0.00 -0.09 -0.08 0.00 0.06 0.14 0.00 -0.14 -0.05 0.00 0.04 -0.01 -0.00 0.00 0.09 0.00 0.03 -0.09 -0.00 0.02 0.02 0.00 -0.05 0.06 0.00 0.05 -0.03 0.00 -0.13 0.05 -0.00 0.03 -0.09 0.00 0.02 0.02 -0.00 0.06 -0.08 0.00 0.06 -0.08 -0.00 0.15 -0.02 0.00 0.16 -0.02 -0.00 0.28 -0.10 0.01 0.15 -0.26 0.01 0.28 -0.10 -0.01 0.15 -0.26 -0.01 0.04 0.07 0.00 0.08 0.03 0.00 0.04 0.08 -0.00 0.08 0.03 -0.00 -0.01 0.02 -0.01 -0.00 0.03 0.03 -0.00 0.02 -0.01 0.00 0.01 -0.02 0.00 -0.01 0.02 0.00 -0.01 -0.02 0.00 -0.10 -0.05 0.01 -0.12 0.04 0.00 -0.04 0.00 -0.00 -0.02 0.07 -0.03 0.00 -0.02 -0.05 -0.01 0.05 -0.04 -0.00 -0.01 -0.02 -0.00 -0.03 0.01 -0.00 0.04 0.02 0.00 -0.04 0.18 0.02 -0.10 0.22 0.01 0.08 0.08 0.01 0.00 0.04 0.00 0.12 -0.01 0.02 0.01 -0.00 0.02 0.01 -0.00 0.03 -0.03 0.00 -0.01 -0.02 0.00 0.01 0.02 0.00 -0.01 0.02 0.00 -0.10 0.05 0.00 -0.04 -0.00 0.01 -0.12 -0.04 -0.00 -0.02 -0.07 -0.03 0.00 0.02 -0.04 -0.00 0.01 -0.05 -0.01 -0.05 0.01 -0.00 -0.04 -0.02 -0.00 0.03 0.02 0.00 0.04 0.18 0.02 0.10 0.08 0.01 -0.00 0.21 0.01 -0.08 0.04 0.00 -0.12 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.14 -0.07 0.00 0.05 -0.04 -0.00 0.04 0.14 -0.00 0.12 -0.07 0.00 -0.09 0.11 -0.01 0.07 -0.14 0.00 0.04 0.05 -0.00 -0.14 0.04 -0.00 -0.12 0.06 0.00 0.09 -0.11 -0.01 -0.07 0.14 0.00 -0.04 -0.05 -0.00 0.15 -0.04 -0.00 0.07 0.12 0.00 -0.11 -0.09 -0.01 0.14 0.07 0.00 -0.05 0.04 -0.00 -0.04 -0.15 -0.00 -0.06 -0.12 0.00 0.11 0.09 -0.01 0.14 0.02 -0.00 -0.14 -0.02 -0.00 -0.02 0.14 -0.00 0.02 -0.14 -0.00 -0.26 -0.06 0.00 -0.02 -0.26 0.00 0.26 0.06 0.00 0.02 0.26 0.00 0.06 -0.26 0.00 0.26 -0.02 0.00 -0.06 0.27 0.00 -0.26 0.02 0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.01 0.01 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.00 0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.02 0.00 -0.00 -0.00 0.00 0.02 0.00 -0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 -0.02 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.01 0.00 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.00 0.01 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.01 -0.02 -0.00 -0.01 -0.01 0.00 0.01 0.02 -0.00 0.02 0.01 0.00 -0.02 0.00 0.00 -0.01 0.01 -0.00 0.02 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.02 -0.06 0.00 -0.04 0.03 -0.01 0.07 0.03 -0.01 0.09 -0.00 0.01 -0.08 -0.01 0.00 -0.00 -0.05 -0.00 -0.01 0.07 0.01 -0.21 0.15 -0.01 0.12 0.15 -0.01 -0.03 0.31 -0.02 -0.00 0.06 -0.05 -0.00 -0.04 0.07 0.01 -0.03 0.10 0.01 0.00 -0.09 -0.01 0.01 -0.00 -0.00 0.06 -0.01 0.00 -0.08 -0.23 -0.01 -0.16 0.14 0.01 -0.16 -0.03 0.01 -0.34 -0.00 0.02 -0.06 0.01 -0.06 0.02 -0.00 0.04 0.03 -0.01 0.08 -0.01 0.01 -0.09 -0.00 -0.00 0.00 -0.05 0.00 0.02 0.06 0.01 -0.12 0.14 -0.01 0.21 0.14 0.01 0.03 0.30 0.02 0.00 0.06 -0.07 -0.01 -0.03 0.04 0.00 -0.04 0.09 0.01 0.01 -0.09 -0.01 0.00 0.00 0.00 0.06 0.01 -0.00 -0.07 -0.13 -0.01 -0.15 0.22 0.01 -0.15 0.03 -0.01 -0.32 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.02 0.00 -0.01 -0.00 -0.00 0.01 0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.01 0.02 -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.02 -0.00 -0.01 0.00 0.00 0.01 0.01 -0.00 0.01 -0.01 -0.00 0.02 0.00 0.01 0.03 0.00 -0.02 0.02 -0.00 0.00 0.01 -0.02 0.00 0.04 -0.01 -0.00 0.02 -0.03 -0.00 0.01 0.02 -0.00 0.02 0.00 0.00 0.02 0.03 0.00 0.03 0.01 -0.00 -0.00 0.01 0.03 -0.00 0.02 -0.01 0.00 -0.03 -0.01 0.00 -0.04 0.00 -0.00 0.04 0.01 -0.00 -0.00 0.02 0.00 -0.00 -0.04 -0.01 0.09 -0.07 0.01 -0.06 -0.07 0.00 0.01 -0.14 -0.03 -0.01 0.10 -0.08 -0.00 -0.05 0.11 0.01 -0.05 0.15 0.01 0.00 -0.15 -0.01 0.02 0.00 -0.00 0.08 0.01 0.00 -0.14 -0.32 -0.02 -0.23 0.23 0.02 -0.26 -0.04 0.01 -0.51 -0.00 -0.01 0.02 -0.00 0.02 -0.01 0.00 -0.01 -0.01 0.00 -0.02 0.00 -0.00 0.02 0.00 0.00 0.00 0.01 -0.00 0.00 -0.02 -0.00 0.04 -0.04 0.00 -0.05 -0.04 -0.00 -0.01 -0.08 -0.02 -0.00 -0.06 0.07 0.01 0.03 -0.05 -0.00 0.03 -0.10 -0.01 -0.01 0.10 0.01 -0.00 0.00 -0.00 -0.06 0.00 0.00 0.09 0.15 0.01 0.17 -0.21 -0.01 0.16 -0.03 0.01 0.33 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.02 -0.00 0.01 -0.02 0.00 -0.02 0.01 0.00 0.02 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.03 0.02 0.02 0.01 0.01 -0.01 0.00 0.00 0.01 0.00 0.00 0.01 -0.01 -0.00 -0.03 0.02 -0.00 -0.01 0.03 0.00 0.01 0.05 0.00 0.04 0.02 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.03 -0.10 0.00 -0.08 0.05 -0.01 0.11 0.05 -0.01 0.15 -0.00 0.01 -0.15 -0.02 0.00 0.00 -0.08 -0.00 0.01 0.14 0.02 -0.32 0.24 -0.02 0.23 0.26 -0.01 -0.04 0.51 0.01 0.00 -0.02 0.02 0.00 0.01 -0.02 -0.00 0.01 -0.03 -0.00 0.00 0.03 0.00 -0.00 -0.00 0.00 -0.02 -0.00 -0.00 0.03 0.06 0.00 0.04 -0.05 -0.00 0.05 0.01 -0.00 0.10 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.02 -0.02 0.00 -0.03 -0.02 -0.00 -0.00 -0.04 -0.02 -0.00 -0.07 0.07 0.01 0.03 -0.06 -0.00 0.03 -0.10 -0.01 -0.01 0.10 0.01 -0.00 0.00 -0.00 -0.06 0.01 0.00 0.09 0.16 0.02 0.18 -0.22 -0.01 0.16 -0.03 0.01 0.35 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 0.01 -0.00 -0.00 -0.02 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.02 -0.02 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.01 -0.01 0.00 -0.02 0.01 -0.00 -0.00 0.03 -0.02 -0.00 0.01 0.00 -0.02 0.00 -0.01 0.01 0.01 -0.00 -0.04 0.02 -0.00 -0.02 0.04 -0.00 -0.01 0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.04 -0.00 0.03 0.02 -0.00 0.00 -0.01 -0.03 0.00 -0.02 0.01 -0.00 0.03 0.01 -0.00 0.04 -0.00 0.00 -0.04 -0.01 0.00 0.00 -0.02 -0.00 0.00 0.04 0.01 -0.09 0.07 -0.01 0.06 0.07 -0.00 -0.01 0.15 -0.01 -0.00 0.02 -0.02 -0.00 -0.01 0.02 0.00 -0.01 0.03 0.00 0.00 -0.03 -0.00 0.01 0.00 -0.00 0.02 0.00 0.00 -0.03 -0.07 -0.00 -0.05 0.05 0.01 -0.06 -0.01 0.00 -0.12 0.01 -0.04 0.11 -0.01 0.12 -0.05 0.01 -0.09 -0.05 0.01 -0.16 0.02 -0.01 0.16 0.00 0.00 0.00 0.09 -0.00 0.01 -0.15 -0.02 0.25 -0.28 0.02 -0.35 -0.25 -0.01 -0.04 -0.55 0.02 0.00 0.05 -0.05 -0.00 -0.02 0.04 0.00 -0.02 0.07 0.01 0.01 -0.07 -0.01 0.00 -0.00 0.00 0.04 -0.01 -0.00 -0.07 -0.11 -0.01 -0.12 0.15 0.01 -0.11 0.02 -0.00 -0.24 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.09 0.05 -0.00 0.01 -0.01 0.00 -0.04 -0.09 0.00 -0.08 0.08 -0.00 0.09 -0.06 0.00 0.05 -0.09 0.00 -0.01 -0.01 -0.00 -0.09 0.04 -0.00 0.08 -0.08 -0.00 -0.09 0.06 0.00 -0.05 0.09 0.00 0.01 0.01 -0.00 0.09 -0.04 -0.00 0.08 0.08 0.00 -0.07 -0.09 -0.00 -0.09 -0.05 -0.00 -0.01 0.01 0.00 0.04 0.09 0.00 -0.08 -0.08 0.00 0.06 0.09 -0.00 0.00 -0.06 0.01 -0.00 0.06 0.01 -0.06 -0.00 -0.01 0.06 0.00 -0.01 0.05 0.09 -0.00 0.08 0.06 0.00 -0.05 -0.09 -0.00 -0.08 -0.06 0.00 0.09 -0.05 0.00 0.07 -0.08 -0.00 -0.09 0.06 0.00 -0.06 0.08 -0.00 -0.00 0.05 -0.02 0.01 -0.06 -0.05 0.00 -0.02 0.06 0.00 -0.01 0.04 0.01 -0.06 -0.06 -0.00 0.05 0.01 -0.02 0.21 0.14 -0.01 0.16 -0.04 -0.02 0.21 0.12 -0.01 0.06 0.05 0.05 0.00 0.02 -0.06 -0.01 0.05 -0.02 0.00 -0.06 -0.01 -0.00 -0.04 -0.06 -0.01 0.06 0.05 0.00 -0.01 0.21 0.02 -0.14 0.16 0.01 0.04 0.21 0.02 -0.12 0.06 0.01 -0.05 0.00 -0.05 -0.02 0.00 0.02 0.06 -0.01 0.06 -0.05 -0.01 0.06 -0.06 0.00 0.01 0.04 0.00 -0.05 0.01 0.02 -0.21 0.14 0.02 -0.21 0.12 0.01 -0.17 -0.04 0.01 -0.06 0.05 -0.05 -0.00 0.02 0.02 -0.00 -0.06 0.06 0.01 0.05 0.06 0.01 0.06 0.01 0.00 -0.04 -0.05 -0.00 -0.01 -0.21 -0.02 -0.14 -0.21 -0.02 -0.12 -0.17 -0.01 0.04 -0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.10 -0.02 0.00 0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.01 -0.06 0.00 -0.04 0.09 -0.00 0.00 -0.02 0.00 -0.02 0.01 -0.00 0.11 0.00 0.00 -0.01 -0.06 -0.00 -0.04 0.09 0.00 0.00 -0.02 -0.00 -0.02 0.01 0.00 0.11 0.00 -0.00 0.03 0.09 0.00 0.01 -0.07 -0.00 -0.10 -0.02 -0.00 0.01 0.01 0.00 0.00 -0.00 0.00 0.03 0.09 -0.00 0.01 -0.07 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.00 0.00 -0.02 0.00 0.08 -0.08 0.00 0.01 -0.16 0.01 0.08 -0.08 -0.00 0.01 -0.16 -0.01 0.03 -0.15 -0.00 -0.04 -0.09 -0.00 0.03 -0.15 0.00 -0.04 -0.09 0.00 -0.01 0.12 -0.02 0.01 -0.07 -0.07 0.00 -0.04 0.08 0.00 -0.05 0.06 0.01 -0.09 -0.09 -0.01 0.08 0.03 -0.03 0.29 0.17 -0.02 0.27 -0.08 -0.02 0.29 0.16 -0.01 0.09 0.02 -0.01 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 0.01 0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.03 -0.00 0.02 -0.02 -0.00 -0.01 -0.02 -0.00 0.01 -0.01 -0.00 0.00 -0.01 0.12 0.02 0.00 -0.04 -0.08 0.01 -0.07 0.07 0.01 -0.09 0.09 0.00 -0.05 -0.06 -0.01 0.08 -0.03 -0.03 0.29 -0.17 -0.02 0.29 -0.16 -0.02 0.27 0.08 -0.01 0.09 -0.02 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 0.01 0.00 0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.03 -0.00 -0.02 -0.03 -0.00 -0.02 -0.03 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.00 0.00 0.01 0.02 -0.00 0.00 -0.11 0.00 0.09 -0.03 0.00 -0.07 -0.01 -0.00 -0.02 0.10 -0.00 0.01 -0.01 0.00 -0.01 -0.00 0.00 0.09 -0.03 -0.00 -0.07 -0.01 0.00 -0.02 0.10 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.06 0.01 -0.00 0.09 0.04 0.00 -0.02 -0.00 -0.00 0.01 0.02 0.00 0.00 -0.11 -0.00 -0.06 0.01 0.00 0.09 0.04 -0.00 -0.02 -0.00 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.15 -0.03 -0.00 -0.09 0.04 -0.00 -0.15 -0.03 0.00 -0.09 0.04 0.00 -0.08 -0.08 -0.00 -0.16 -0.01 -0.01 -0.08 -0.08 0.00 -0.16 -0.00 0.01 0.00 0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.00 0.03 0.02 -0.00 0.03 -0.01 -0.00 0.03 0.02 -0.00 0.01 0.00 0.12 0.01 0.02 -0.07 -0.01 0.07 -0.04 -0.00 -0.08 -0.05 -0.00 -0.06 -0.09 -0.01 0.09 0.07 0.01 -0.03 0.29 0.03 -0.17 0.27 0.02 0.08 0.28 0.02 -0.16 0.09 0.01 -0.03 0.00 0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.02 -0.01 -0.00 0.02 -0.01 -0.00 0.02 0.01 -0.00 0.01 -0.00 0.12 0.01 -0.02 -0.04 -0.00 0.08 -0.07 -0.01 -0.07 -0.09 -0.01 -0.09 -0.05 -0.00 0.06 0.08 0.01 0.03 0.29 0.03 0.17 0.29 0.02 0.16 0.27 0.02 -0.08 0.09 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.04 -0.00 0.00 0.01 0.01 -0.00 0.01 -0.05 0.00 -0.03 -0.02 -0.00 0.01 0.04 -0.00 0.00 -0.04 0.00 -0.01 0.01 -0.00 0.04 0.01 0.00 0.04 0.02 -0.00 -0.01 -0.04 -0.00 -0.00 0.04 0.00 0.01 -0.01 -0.00 -0.04 -0.01 0.00 0.01 -0.04 -0.00 -0.04 0.01 -0.00 0.04 0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.04 0.00 -0.02 0.04 -0.00 0.04 -0.01 -0.00 0.00 -0.04 -0.00 -0.00 0.03 -0.00 0.04 0.00 -0.00 -0.03 -0.00 -0.00 0.08 -0.02 0.00 0.04 -0.07 0.00 -0.08 0.02 0.00 -0.04 0.08 0.00 0.02 0.08 0.00 0.07 0.04 0.00 -0.03 -0.08 0.00 -0.08 -0.04 0.00 0.01 -0.11 0.02 -0.01 0.05 0.06 -0.00 0.03 -0.07 -0.00 0.05 -0.04 -0.01 0.07 0.07 0.01 -0.06 -0.02 0.02 -0.22 -0.13 0.01 -0.22 0.07 0.02 -0.22 -0.12 0.01 -0.07 -0.01 0.11 0.01 0.02 -0.05 -0.01 0.06 -0.03 -0.00 -0.07 -0.05 -0.00 -0.05 -0.07 -0.01 0.07 0.06 0.01 -0.02 0.22 0.02 -0.13 0.22 0.01 0.07 0.22 0.02 -0.12 0.08 0.01 -0.01 -0.01 0.11 0.02 0.00 -0.03 -0.07 0.01 -0.05 0.06 0.01 -0.07 0.07 0.00 -0.05 -0.04 -0.01 0.06 -0.02 -0.02 0.22 -0.12 -0.02 0.22 -0.12 -0.01 0.21 0.07 -0.01 0.07 -0.01 -0.11 -0.01 0.02 0.03 0.00 -0.06 0.05 0.01 0.06 0.07 0.01 0.07 0.05 0.00 -0.04 -0.06 -0.01 -0.02 -0.22 -0.02 -0.12 -0.22 -0.02 -0.12 -0.21 -0.01 0.07 -0.07 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 0.04 -0.00 0.01 -0.01 0.00 -0.03 -0.03 0.00 -0.09 0.07 -0.00 0.08 -0.08 0.00 0.04 -0.03 0.00 -0.01 -0.01 0.00 -0.03 0.03 -0.00 0.09 -0.06 -0.00 -0.07 0.08 0.00 -0.04 0.03 0.00 0.01 0.01 0.00 0.03 -0.03 -0.00 0.06 0.09 0.00 -0.08 -0.08 -0.00 -0.03 -0.04 -0.00 -0.01 0.01 -0.00 0.03 0.04 0.00 -0.06 -0.09 0.00 0.08 0.08 -0.00 0.01 -0.11 0.00 -0.01 0.10 0.00 -0.11 -0.01 -0.00 0.10 0.01 -0.00 0.08 0.07 -0.00 0.06 0.08 -0.00 -0.07 -0.07 -0.00 -0.06 -0.08 -0.00 0.07 -0.07 0.00 0.08 -0.06 0.00 -0.07 0.08 0.00 -0.08 0.06 0.00 0.01 -0.12 0.01 -0.00 0.03 0.05 -0.00 0.02 -0.06 -0.00 0.06 -0.04 -0.01 0.07 0.06 0.00 -0.06 -0.02 0.02 -0.19 -0.10 0.01 -0.20 0.07 0.02 -0.19 -0.11 0.01 -0.07 0.00 -0.12 -0.01 -0.01 0.03 0.00 -0.05 0.02 0.00 0.06 0.06 0.00 0.04 0.07 0.01 -0.06 -0.06 -0.00 0.02 -0.19 -0.02 0.10 -0.20 -0.01 -0.07 -0.19 -0.02 0.11 -0.07 -0.01 -0.00 -0.01 0.13 0.01 0.00 -0.02 -0.06 0.00 -0.03 0.05 0.01 -0.07 0.07 0.00 -0.06 -0.04 -0.00 0.06 -0.02 -0.02 0.19 -0.10 -0.02 0.20 -0.11 -0.01 0.20 0.08 -0.01 0.07 0.00 0.13 0.01 -0.01 -0.02 -0.00 0.06 -0.03 -0.00 -0.05 -0.07 -0.01 -0.07 -0.06 -0.00 0.04 0.06 0.01 0.02 0.19 0.02 0.10 0.20 0.02 0.11 0.20 0.01 -0.08 0.07 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.06 -0.02 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.01 -0.06 0.00 -0.05 0.11 -0.00 0.02 -0.08 0.00 -0.01 0.01 -0.00 0.10 -0.02 0.00 0.01 -0.06 -0.00 -0.05 0.11 0.00 0.02 -0.08 -0.00 -0.01 0.01 0.00 0.10 -0.02 -0.00 0.11 0.18 0.01 -0.12 -0.14 -0.01 -0.06 -0.03 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.11 0.18 -0.01 -0.12 -0.14 0.01 -0.01 0.12 -0.00 -0.01 0.12 0.00 -0.06 0.00 -0.00 -0.06 0.00 0.00 0.06 -0.07 0.00 0.00 -0.18 0.01 0.05 -0.08 -0.00 0.00 -0.18 -0.01 0.12 -0.21 -0.00 0.14 -0.12 -0.00 0.12 -0.22 0.00 0.14 -0.12 0.00 0.01 -0.13 0.01 -0.00 0.03 0.05 -0.00 0.02 -0.06 -0.00 0.06 -0.04 -0.01 0.07 0.07 0.00 -0.06 -0.02 0.02 -0.19 -0.09 0.01 -0.20 0.08 0.02 -0.19 -0.11 0.01 -0.07 0.00 0.06 0.00 0.01 -0.01 -0.00 0.02 -0.01 0.00 -0.03 -0.03 -0.00 -0.02 -0.03 -0.00 0.03 0.03 0.00 -0.01 0.09 0.01 -0.04 0.09 0.01 0.04 0.09 0.01 -0.05 0.03 0.00 0.00 0.01 -0.13 -0.01 -0.00 0.02 0.06 -0.00 0.03 -0.05 -0.01 0.07 -0.06 -0.00 0.06 0.04 0.00 -0.06 0.02 0.02 -0.18 0.09 0.02 -0.19 0.11 0.01 -0.20 -0.08 0.01 -0.07 -0.00 0.06 0.00 -0.01 -0.01 0.00 0.03 -0.01 -0.00 -0.02 -0.03 -0.00 -0.03 -0.03 -0.00 0.02 0.03 0.00 0.01 0.09 0.01 0.04 0.09 0.01 0.05 0.09 0.01 -0.04 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.08 -0.02 0.00 0.01 0.01 -0.00 -0.02 -0.10 0.00 0.18 -0.11 0.01 -0.14 0.12 -0.01 -0.02 0.06 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.18 -0.11 -0.01 -0.14 0.12 0.01 -0.03 0.06 0.00 0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.05 -0.01 -0.00 0.11 0.05 0.00 -0.08 -0.03 -0.00 0.01 0.01 0.00 -0.02 -0.10 -0.00 -0.06 -0.01 0.00 0.11 0.05 -0.00 0.00 0.05 -0.00 0.00 0.06 0.00 0.12 0.01 0.00 0.12 0.01 -0.00 -0.21 -0.12 -0.00 -0.12 -0.14 -0.00 -0.22 -0.12 0.00 -0.12 -0.14 0.00 -0.07 -0.06 -0.00 -0.18 -0.00 -0.01 -0.08 -0.05 0.00 -0.18 -0.00 0.01 0.00 -0.06 0.01 -0.00 0.01 0.02 0.00 0.01 -0.03 -0.00 0.03 -0.02 -0.00 0.03 0.03 0.00 -0.03 -0.01 0.01 -0.09 -0.04 0.01 -0.10 0.04 0.01 -0.09 -0.05 0.00 -0.04 0.00 -0.13 -0.01 -0.01 0.03 0.00 -0.05 0.02 0.00 0.06 0.06 0.00 0.04 0.07 0.01 -0.07 -0.06 -0.01 0.02 -0.19 -0.02 0.10 -0.20 -0.01 -0.08 -0.20 -0.02 0.11 -0.07 -0.01 -0.00 0.00 -0.06 -0.01 0.00 0.01 0.03 -0.00 0.01 -0.02 -0.00 0.03 -0.03 -0.00 0.03 0.02 0.00 -0.03 0.01 0.01 -0.08 0.04 0.01 -0.09 0.05 0.00 -0.09 -0.03 0.00 -0.03 -0.00 -0.13 -0.01 0.01 0.02 0.00 -0.06 0.03 0.00 0.05 0.07 0.01 0.06 0.06 0.00 -0.04 -0.06 -0.00 -0.02 -0.18 -0.02 -0.09 -0.19 -0.02 -0.11 -0.19 -0.01 0.07 -0.07 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.19 -0.07 0.00 0.03 0.04 -0.00 -0.04 -0.19 0.00 -0.10 -0.02 -0.00 0.01 0.10 -0.00 0.07 -0.19 0.00 -0.04 0.03 -0.00 0.19 -0.04 0.00 0.11 0.02 -0.00 -0.01 -0.10 -0.00 -0.07 0.18 0.00 0.04 -0.03 -0.00 -0.19 0.04 0.00 0.02 -0.11 -0.00 -0.10 0.01 -0.00 0.19 0.07 0.00 -0.03 -0.04 -0.00 0.04 0.19 0.00 -0.02 0.10 -0.00 0.10 -0.01 -0.00 -0.01 0.16 -0.01 0.01 -0.16 -0.01 -0.16 -0.01 -0.01 0.16 0.01 -0.01 0.21 -0.05 0.01 0.08 -0.20 0.01 -0.21 0.05 0.01 -0.08 0.19 0.01 0.05 0.21 0.01 0.20 0.08 0.01 -0.05 -0.21 0.01 -0.20 -0.08 0.01 -0.01 0.08 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.02 0.00 -0.03 0.01 0.00 -0.03 -0.03 -0.00 0.02 0.01 -0.00 0.05 0.01 -0.00 0.07 -0.04 -0.01 0.07 0.04 -0.00 0.03 -0.01 -0.08 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.02 0.03 0.00 0.01 0.03 0.00 -0.03 -0.02 -0.00 0.01 -0.05 -0.00 0.01 -0.07 -0.00 -0.04 -0.07 -0.01 0.04 -0.03 -0.00 -0.01 0.01 -0.08 -0.00 0.00 -0.00 0.02 0.00 -0.00 -0.01 -0.00 0.03 -0.03 -0.00 0.03 0.01 0.00 -0.02 0.01 0.00 -0.05 0.01 0.01 -0.07 0.04 0.00 -0.07 -0.04 0.00 -0.03 -0.01 0.08 0.01 -0.00 0.00 0.00 0.02 0.00 0.00 -0.01 -0.03 -0.00 -0.03 -0.03 -0.00 0.01 0.02 0.00 0.01 0.05 0.00 0.01 0.07 0.01 0.04 0.07 0.00 -0.04 0.03 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.10 -0.04 0.00 0.02 -0.01 -0.00 0.03 0.12 -0.00 -0.18 0.13 -0.01 0.15 -0.16 0.01 0.04 -0.10 0.00 0.01 0.02 -0.00 -0.12 0.03 -0.00 0.18 -0.13 -0.01 -0.15 0.16 0.01 -0.04 0.11 0.00 -0.01 -0.02 -0.00 0.12 -0.03 -0.00 -0.13 -0.18 -0.01 0.16 0.15 0.01 0.11 0.04 0.00 -0.02 0.01 -0.00 -0.03 -0.12 -0.00 0.13 0.18 -0.01 -0.16 -0.15 0.01 0.21 0.01 -0.00 -0.21 -0.01 -0.00 -0.01 0.21 -0.00 0.01 -0.21 -0.00 0.13 0.15 -0.00 0.13 0.16 -0.00 -0.13 -0.15 -0.00 -0.13 -0.16 -0.00 -0.15 0.13 -0.00 -0.16 0.13 -0.00 0.15 -0.13 -0.00 0.15 -0.13 -0.00 0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.23 0.15 -0.01 -0.01 -0.01 0.00 -0.08 -0.16 0.00 0.13 -0.02 0.00 -0.04 0.01 -0.00 -0.01 0.04 -0.00 0.03 -0.02 0.00 -0.18 0.08 -0.00 0.13 -0.02 -0.00 -0.04 0.01 0.00 -0.01 0.04 0.00 0.03 -0.02 -0.00 -0.18 0.08 0.00 0.09 0.16 0.01 -0.19 -0.11 -0.01 0.22 0.15 0.01 -0.01 -0.01 -0.00 -0.09 -0.16 -0.00 0.09 0.16 -0.01 -0.19 -0.11 0.01 -0.02 -0.19 0.01 -0.02 -0.19 -0.01 0.08 0.06 0.00 0.08 0.06 -0.00 -0.20 -0.01 -0.00 -0.06 0.01 -0.00 -0.20 -0.01 0.00 -0.06 0.01 0.00 0.09 -0.21 -0.00 0.30 -0.03 0.01 0.09 -0.21 0.00 0.30 -0.03 -0.01 -0.00 0.06 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.01 0.00 -0.03 0.01 0.00 -0.03 -0.02 -0.00 0.02 0.01 0.00 0.02 -0.00 -0.00 0.05 -0.03 -0.00 0.05 0.03 -0.00 0.02 -0.01 -0.03 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.00 0.01 0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.02 -0.00 -0.01 -0.02 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.06 0.00 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.03 0.02 0.00 -0.03 -0.01 -0.00 0.02 -0.01 0.00 0.02 0.00 -0.00 0.05 -0.03 -0.00 0.05 0.03 -0.00 0.02 0.01 -0.03 -0.01 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.01 0.00 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.02 -0.00 -0.01 -0.02 -0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.04 -0.01 0.00 0.02 0.03 -0.00 -0.08 -0.18 0.00 -0.16 0.09 -0.01 0.11 -0.19 0.01 -0.15 0.23 -0.01 0.01 -0.01 0.00 0.16 -0.09 0.00 -0.16 0.09 0.01 0.11 -0.19 -0.01 -0.15 0.22 0.01 0.01 -0.01 -0.00 0.16 -0.08 -0.00 0.02 0.13 0.00 -0.01 -0.05 -0.00 -0.04 -0.01 -0.00 0.02 0.03 0.00 -0.08 -0.18 -0.00 0.02 0.13 -0.00 -0.00 -0.04 0.00 -0.06 0.09 -0.00 -0.06 0.08 0.00 0.19 -0.02 0.01 0.19 -0.02 -0.01 0.21 0.09 0.00 0.03 0.30 -0.01 0.21 0.09 -0.00 0.03 0.30 0.01 0.01 -0.20 -0.00 -0.01 -0.06 -0.00 0.00 -0.20 0.00 -0.01 -0.06 0.00 0.01 -0.03 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.02 0.01 0.00 -0.02 -0.01 0.00 -0.01 0.01 -0.06 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.03 0.00 0.01 0.03 0.00 -0.02 -0.02 -0.00 0.01 -0.02 0.00 -0.00 -0.05 -0.00 -0.03 -0.05 -0.00 0.03 -0.03 -0.00 -0.01 0.01 -0.03 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.00 0.00 -0.02 0.01 0.00 -0.02 -0.01 0.00 -0.01 -0.01 -0.06 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.03 0.00 0.02 0.03 0.00 -0.01 -0.02 -0.00 -0.01 -0.02 0.00 0.00 -0.05 -0.00 -0.03 -0.05 -0.00 0.03 -0.02 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.09 0.07 -0.00 0.00 -0.00 0.00 -0.05 -0.10 0.00 0.10 -0.05 0.00 -0.06 0.09 -0.00 0.06 -0.09 0.00 -0.00 -0.00 -0.00 -0.10 0.05 -0.00 -0.10 0.05 0.00 0.06 -0.09 -0.00 -0.07 0.10 0.00 0.00 0.00 -0.00 0.10 -0.05 -0.00 -0.05 -0.10 -0.00 0.09 0.06 0.00 -0.09 -0.07 -0.00 -0.00 0.00 -0.00 0.05 0.10 0.00 0.05 0.10 -0.00 -0.09 -0.06 0.00 0.00 -0.08 -0.00 -0.00 0.08 -0.00 -0.08 -0.01 0.01 0.09 0.00 0.00 -0.13 -0.04 -0.00 -0.03 -0.13 0.00 0.13 0.04 -0.00 0.02 0.13 0.00 -0.04 0.13 0.00 -0.13 0.03 -0.00 0.04 -0.13 0.00 0.13 -0.03 -0.00 -0.00 -0.02 0.08 0.00 -0.03 -0.06 -0.00 0.03 -0.05 -0.00 -0.02 0.07 -0.00 0.02 0.07 0.00 0.01 -0.13 -0.01 0.09 0.02 -0.01 0.06 0.04 0.00 -0.06 0.02 -0.00 -0.01 0.15 -0.03 0.00 -0.09 -0.04 -0.00 0.07 0.03 0.00 0.05 -0.03 0.00 -0.08 0.03 0.00 -0.08 0.01 -0.00 0.15 0.10 0.01 -0.03 0.08 0.01 -0.04 -0.07 -0.00 -0.03 -0.02 0.00 -0.18 0.00 0.03 0.11 0.00 -0.04 -0.06 -0.01 0.04 -0.08 0.00 -0.03 0.09 -0.00 0.04 0.10 -0.00 -0.01 -0.18 0.01 -0.12 0.03 -0.00 0.08 0.03 0.01 -0.09 0.05 0.00 0.01 0.21 0.03 -0.00 -0.14 -0.05 -0.00 0.08 0.05 0.01 0.10 -0.03 -0.01 -0.12 0.06 0.00 -0.13 -0.02 0.00 0.24 -0.16 -0.01 -0.04 0.10 0.01 -0.05 -0.13 -0.01 -0.06 0.01 -0.01 -0.28 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.03 -0.00 -0.01 0.01 -0.00 0.01 -0.02 0.00 -0.02 0.03 -0.00 0.00 -0.00 -0.00 0.02 -0.01 0.00 0.02 -0.01 -0.00 -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.01 0.02 0.00 -0.02 -0.01 -0.00 0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.02 0.00 0.01 0.01 -0.00 -0.01 0.01 0.01 -0.01 -0.01 0.00 0.02 -0.02 0.01 -0.01 -0.02 -0.01 0.02 0.00 -0.00 -0.00 0.03 -0.00 -0.02 -0.01 0.00 -0.01 -0.02 0.00 0.01 -0.02 -0.00 0.03 -0.00 -0.00 -0.00 0.03 -0.00 -0.01 0.00 0.00 0.00 0.01 -0.04 -0.00 0.01 0.03 0.00 -0.01 0.02 -0.00 0.02 -0.03 0.00 -0.01 -0.03 -0.00 -0.01 0.06 0.00 -0.04 -0.01 0.00 -0.03 -0.01 -0.00 0.02 -0.01 0.00 0.00 -0.07 0.01 -0.00 0.11 0.03 0.00 -0.08 -0.05 -0.00 -0.06 0.06 0.00 0.10 -0.02 -0.00 0.09 -0.02 0.00 -0.19 -0.13 -0.01 0.03 -0.12 -0.01 0.04 0.07 0.00 0.05 0.00 -0.00 0.22 -0.00 -0.01 -0.11 -0.00 0.05 0.06 0.00 -0.03 0.08 -0.00 0.01 -0.09 0.00 -0.05 -0.10 0.00 0.02 0.18 -0.01 0.13 -0.02 0.00 -0.07 -0.05 -0.01 0.12 -0.04 -0.01 -0.00 -0.21 0.00 -0.00 -0.22 -0.10 -0.00 0.12 0.06 0.01 0.16 -0.02 -0.01 -0.17 0.12 0.00 -0.20 -0.05 0.01 0.35 -0.25 -0.02 -0.04 0.12 0.01 -0.10 -0.24 -0.02 -0.06 0.00 -0.01 -0.42 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 0.01 0.00 0.00 -0.02 -0.00 0.02 0.00 -0.00 0.01 0.00 0.00 -0.01 0.01 -0.00 -0.00 0.03 -0.01 0.00 -0.19 -0.06 -0.01 0.14 0.08 0.00 0.10 -0.10 -0.00 -0.18 0.02 0.01 -0.15 0.04 -0.01 0.32 0.22 0.02 -0.04 0.21 0.02 -0.06 -0.11 -0.01 -0.09 -0.01 0.01 -0.37 -0.00 -0.01 -0.19 -0.00 0.08 0.10 0.01 -0.05 0.14 -0.01 0.02 -0.15 0.00 -0.10 -0.18 0.01 0.04 0.31 -0.02 0.22 -0.04 0.01 -0.11 -0.09 -0.02 0.20 -0.06 -0.01 -0.00 -0.37 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.02 0.00 0.00 0.00 -0.00 0.01 0.02 -0.00 -0.02 0.01 -0.00 0.01 -0.02 0.00 -0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.02 -0.00 0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.03 0.01 -0.00 0.01 0.02 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.00 -0.01 -0.01 0.00 0.02 0.01 -0.00 0.02 0.02 -0.01 0.02 -0.01 0.01 0.02 0.00 0.00 -0.02 -0.00 0.01 0.02 0.01 0.00 0.01 0.03 -0.00 -0.02 -0.00 -0.00 -0.00 -0.02 -0.00 0.01 -0.02 -0.00 0.02 -0.01 -0.00 -0.01 0.02 -0.00 -0.03 -0.00 0.00 0.00 0.01 -0.24 -0.01 0.07 0.17 0.00 -0.10 0.13 -0.00 0.12 -0.22 0.01 -0.03 -0.19 -0.01 -0.05 0.39 0.02 -0.27 -0.05 0.02 -0.25 -0.07 -0.01 0.14 -0.10 0.01 0.01 -0.45 -0.00 0.00 -0.10 -0.03 -0.00 0.07 0.04 0.00 0.05 -0.05 -0.00 -0.09 0.01 0.00 -0.07 0.02 -0.00 0.16 0.11 0.01 -0.02 0.10 0.01 -0.03 -0.05 -0.00 -0.04 -0.00 0.00 -0.18 0.00 -0.00 0.08 0.00 -0.04 -0.04 -0.00 0.02 -0.06 0.00 -0.01 0.06 -0.00 0.05 0.08 -0.00 -0.02 -0.13 0.01 -0.09 0.02 -0.00 0.04 0.04 0.01 -0.09 0.02 0.00 -0.00 0.15 -0.00 -0.00 -0.05 -0.02 -0.00 0.03 0.01 0.00 0.03 -0.00 -0.00 -0.04 0.03 0.00 -0.05 -0.01 0.00 0.08 -0.06 -0.00 -0.01 0.02 0.00 -0.02 -0.06 -0.00 -0.01 -0.00 -0.00 -0.09 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.12 0.08 -0.00 -0.00 -0.00 0.00 -0.06 -0.10 0.00 0.11 -0.05 0.00 -0.07 0.11 -0.01 0.08 -0.12 0.00 -0.00 0.00 -0.00 -0.10 0.05 -0.00 -0.11 0.05 0.00 0.07 -0.11 -0.01 -0.08 0.12 0.00 0.00 0.00 -0.00 0.10 -0.06 -0.00 -0.05 -0.11 -0.00 0.11 0.07 0.01 -0.11 -0.08 -0.00 -0.00 0.00 -0.00 0.05 0.10 0.00 0.05 0.11 -0.00 -0.11 -0.07 0.01 -0.01 -0.10 0.01 0.01 0.10 0.01 -0.10 0.01 -0.01 0.10 -0.01 -0.01 -0.13 -0.05 -0.00 -0.03 -0.15 0.00 0.14 0.05 -0.00 0.03 0.15 0.00 -0.05 0.14 0.00 -0.15 0.03 -0.00 0.05 -0.14 0.00 0.15 -0.03 -0.00 0.00 -0.02 -0.11 -0.00 0.02 0.08 0.00 -0.06 0.06 -0.00 0.08 -0.11 0.00 0.01 -0.08 -0.00 -0.04 0.18 0.01 -0.13 -0.01 0.01 -0.15 -0.02 -0.00 0.04 -0.07 0.01 -0.01 -0.21 -0.02 -0.00 0.09 0.01 0.00 -0.06 -0.05 -0.00 -0.04 0.07 0.00 0.09 0.01 -0.00 0.06 -0.03 0.00 -0.14 -0.10 -0.01 0.01 -0.12 -0.01 0.01 0.03 0.00 0.06 -0.01 -0.00 0.16 -0.00 0.02 -0.10 -0.00 0.05 0.05 0.00 -0.01 0.07 -0.00 -0.01 -0.07 0.00 -0.07 -0.09 0.00 0.03 0.15 -0.01 0.11 -0.01 0.00 -0.03 -0.06 -0.01 0.13 -0.01 -0.01 0.01 -0.18 0.02 0.00 0.08 0.05 0.00 -0.04 -0.01 -0.00 -0.06 -0.01 0.00 0.06 -0.07 -0.00 0.08 0.03 -0.00 -0.13 0.10 0.01 0.01 -0.03 -0.00 0.06 0.11 0.01 0.01 0.01 0.00 0.16 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.28 -0.12 0.01 0.03 0.01 -0.00 0.02 -0.05 -0.00 -0.01 0.06 -0.00 0.06 -0.10 0.00 0.03 0.01 0.00 0.03 -0.01 0.00 -0.31 0.08 -0.01 -0.01 0.07 0.00 0.06 -0.11 -0.00 0.03 0.03 -0.00 0.03 -0.01 -0.00 -0.31 0.08 0.01 0.04 0.11 0.00 0.01 -0.06 -0.00 -0.29 -0.12 -0.01 0.03 0.02 0.00 0.02 -0.05 0.00 0.04 0.12 -0.00 -0.00 -0.06 0.00 0.43 0.03 0.00 0.44 0.03 -0.00 0.00 0.03 -0.00 0.01 0.02 0.00 -0.09 0.10 -0.00 0.03 0.10 -0.00 -0.09 0.10 0.00 0.03 0.11 0.00 0.04 -0.11 -0.00 -0.08 -0.10 -0.01 0.04 -0.11 0.00 -0.07 -0.10 0.01 -0.03 -0.00 0.02 0.01 -0.00 -0.01 0.00 0.01 -0.01 0.00 -0.01 0.02 0.00 0.00 0.01 -0.00 0.00 -0.03 -0.03 0.02 0.00 -0.00 0.02 0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.03 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.03 -0.00 -0.02 0.00 0.01 0.01 0.01 -0.00 0.01 0.00 0.00 -0.01 0.00 -0.01 -0.02 -0.00 0.00 0.03 -0.03 0.02 -0.00 -0.00 -0.01 -0.01 -0.00 0.02 -0.00 -0.00 0.00 -0.03 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.02 0.03 -0.00 0.01 0.03 -0.00 -0.08 -0.31 0.01 -0.12 0.04 -0.00 0.06 0.00 0.00 0.12 -0.29 0.01 -0.02 0.03 -0.00 0.06 0.02 -0.00 -0.11 0.04 0.00 0.06 0.00 -0.00 0.12 -0.28 -0.01 -0.01 0.03 0.00 0.05 0.02 0.00 -0.07 -0.01 -0.00 0.10 0.06 0.00 -0.02 0.03 0.00 0.01 0.03 0.00 -0.08 -0.32 -0.01 -0.07 -0.01 0.00 0.10 0.06 -0.00 -0.03 0.00 0.00 -0.02 0.00 -0.00 -0.03 0.44 0.00 -0.03 0.43 -0.00 0.12 0.04 0.00 0.11 -0.07 0.01 0.11 0.04 -0.00 0.10 -0.07 -0.01 -0.10 -0.09 -0.00 -0.10 0.03 -0.00 -0.10 -0.08 0.00 -0.10 0.03 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.03 0.02 0.00 0.01 -0.01 -0.01 0.00 -0.01 0.01 0.00 0.02 -0.00 0.00 0.01 -0.00 -0.00 -0.03 -0.02 -0.03 0.00 -0.02 -0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 0.03 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.01 -0.01 0.00 -0.00 0.01 0.00 -0.03 -0.02 -0.01 0.00 0.01 0.00 0.01 0.01 -0.00 0.00 -0.01 0.01 0.00 -0.02 -0.00 -0.00 0.03 -0.02 -0.03 -0.00 0.01 -0.00 -0.01 -0.02 -0.00 -0.00 -0.00 -0.00 -0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.21 -0.07 0.00 0.02 0.03 -0.00 -0.04 -0.25 0.00 0.07 0.01 0.00 -0.01 -0.06 0.00 -0.06 0.20 -0.00 0.02 -0.02 0.00 -0.25 0.05 -0.00 -0.08 -0.01 0.00 0.01 0.06 0.00 0.07 -0.22 -0.00 -0.02 0.02 0.00 0.24 -0.04 -0.00 0.01 -0.07 -0.00 -0.06 0.01 -0.00 0.21 0.07 0.00 -0.02 -0.02 -0.00 0.04 0.24 0.00 -0.01 0.08 -0.00 0.06 -0.01 -0.00 0.32 0.01 0.00 -0.31 -0.01 -0.00 0.01 -0.31 -0.00 -0.02 0.32 -0.00 -0.13 0.03 -0.01 -0.05 0.10 -0.01 0.13 -0.02 -0.01 0.05 -0.10 -0.01 0.03 0.13 0.01 0.10 0.05 0.01 -0.03 -0.13 0.01 -0.10 -0.05 0.01 0.02 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.02 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.02 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.01 0.00 0.02 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.04 0.00 -0.00 0.03 0.00 0.05 0.00 0.00 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.11 -0.01 -0.01 0.15 0.06 -0.01 0.12 -0.02 0.01 -0.15 0.02 0.01 -0.12 -0.06 -0.01 0.07 0.02 0.01 -0.11 -0.13 -0.01 0.12 -0.11 -0.01 0.10 0.10 -0.01 0.08 -0.02 0.09 0.01 -0.01 -0.12 -0.01 0.05 -0.10 -0.01 -0.02 0.12 0.01 0.02 0.10 0.01 -0.05 -0.06 -0.00 0.01 0.09 0.01 -0.10 -0.10 -0.00 -0.09 -0.08 -0.01 0.08 -0.07 -0.00 -0.01 -0.01 0.13 -0.01 0.01 -0.15 -0.03 0.02 -0.18 0.07 -0.01 0.15 -0.07 -0.01 0.18 0.03 0.01 -0.08 0.02 -0.01 0.13 -0.16 0.01 -0.12 0.12 0.01 -0.14 -0.13 0.01 -0.10 -0.02 -0.17 -0.01 -0.01 0.19 0.01 -0.04 0.23 0.02 0.09 -0.19 -0.02 -0.09 -0.23 -0.02 0.04 0.10 0.01 0.02 -0.17 -0.02 -0.20 0.15 0.01 0.15 0.18 0.01 -0.16 0.13 0.01 -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 0.01 0.00 -0.00 0.05 0.01 0.00 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.19 -0.01 0.01 0.26 0.02 -0.10 0.22 0.01 0.04 -0.26 -0.02 -0.04 -0.22 -0.02 0.10 0.12 0.01 -0.03 -0.19 -0.02 0.22 0.21 0.01 0.18 0.17 0.02 -0.17 0.14 0.01 0.03 0.00 -0.07 0.01 -0.01 0.08 0.02 -0.01 0.10 -0.04 0.01 -0.08 0.04 0.01 -0.10 -0.02 -0.00 0.04 -0.01 0.01 -0.07 0.08 -0.01 0.06 -0.06 -0.00 0.08 0.07 -0.00 0.05 0.01 -0.16 -0.01 -0.01 0.18 0.01 -0.04 0.21 0.02 0.08 -0.18 -0.02 -0.08 -0.21 -0.01 0.04 0.10 0.01 0.02 -0.16 -0.02 -0.18 0.14 0.01 0.14 0.17 0.01 -0.15 0.12 0.01 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.05 -0.00 -0.01 0.05 0.00 -0.00 0.01 -0.00 -0.01 0.01 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.19 -0.02 -0.02 0.26 0.10 -0.01 0.21 -0.04 0.02 -0.25 0.04 0.02 -0.21 -0.10 -0.01 0.12 0.03 0.02 -0.19 -0.22 -0.01 0.20 -0.18 -0.02 0.17 0.17 -0.01 0.14 -0.03 0.05 0.00 -0.00 -0.06 -0.01 0.03 -0.05 -0.00 -0.01 0.06 0.00 0.01 0.05 0.00 -0.03 -0.03 -0.00 0.01 0.05 0.00 -0.06 -0.05 -0.00 -0.05 -0.04 -0.00 0.04 -0.04 -0.00 -0.01 0.01 -0.16 0.01 -0.01 0.19 0.04 -0.02 0.23 -0.09 0.02 -0.19 0.09 0.02 -0.22 -0.04 -0.01 0.10 -0.02 0.02 -0.17 0.20 -0.01 0.15 -0.15 -0.01 0.18 0.16 -0.01 0.12 0.03 0.02 0.00 0.00 -0.02 -0.00 0.00 -0.02 -0.00 -0.01 0.02 0.00 0.01 0.02 0.00 -0.00 -0.01 -0.00 -0.00 0.02 0.00 0.02 -0.01 -0.00 -0.01 -0.02 -0.00 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 0.01 0.01 -0.00 -0.01 -0.01 0.00 0.01 -0.04 0.00 -0.00 0.05 0.00 -0.04 -0.00 -0.00 0.05 0.01 -0.00 -0.02 -0.01 -0.00 -0.00 -0.01 0.00 0.02 0.01 -0.00 0.00 0.02 0.00 -0.01 0.02 0.00 -0.02 0.00 -0.00 0.01 -0.02 0.00 0.01 -0.00 -0.00 0.01 -0.14 -0.01 -0.02 0.18 0.07 -0.01 0.15 -0.03 0.01 -0.18 0.03 0.01 -0.15 -0.07 -0.01 0.08 0.02 0.01 -0.14 -0.16 -0.01 0.14 -0.13 -0.01 0.12 0.12 -0.01 0.10 -0.02 -0.14 -0.01 0.01 0.19 0.02 -0.07 0.16 0.01 0.03 -0.19 -0.01 -0.03 -0.16 -0.01 0.07 0.09 0.01 -0.02 -0.14 -0.02 0.16 0.15 0.01 0.13 0.13 0.01 -0.13 0.10 0.01 0.02 -0.01 0.13 -0.01 0.01 -0.14 -0.03 0.01 -0.17 0.07 -0.01 0.14 -0.07 -0.01 0.17 0.03 0.01 -0.08 0.02 -0.01 0.13 -0.15 0.01 -0.11 0.11 0.01 -0.13 -0.12 0.01 -0.09 -0.02 0.11 0.01 0.01 -0.13 -0.01 0.03 -0.15 -0.01 -0.06 0.13 0.01 0.06 0.15 0.01 -0.03 -0.07 -0.01 -0.02 0.11 0.01 0.13 -0.10 -0.01 -0.10 -0.12 -0.01 0.11 -0.08 -0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.04 -0.05 0.00 -0.00 -0.00 0.00 -0.01 0.03 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.04 0.00 -0.06 0.00 0.00 -0.00 0.01 0.00 0.03 -0.02 -0.00 -0.00 -0.49 -0.02 0.71 -0.04 -0.00 0.06 -0.18 -0.02 -0.40 0.19 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 -0.03 -0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.04 -0.06 0.00 -0.00 -0.00 0.00 -0.01 0.03 -0.00 0.02 -0.00 -0.02 0.49 0.71 -0.00 0.04 0.06 -0.02 0.18 -0.40 0.01 -0.19 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.00 0.05 -0.00 -0.00 0.00 -0.01 -0.00 -0.03 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.04 -0.06 0.00 -0.00 0.00 -0.00 0.01 0.03 -0.00 0.00 -0.00 0.00 -0.02 -0.00 0.02 -0.49 0.71 0.02 -0.18 -0.40 0.00 -0.04 0.06 -0.01 0.19 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 0.03 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.00 -0.06 0.00 0.00 0.00 -0.01 -0.00 0.03 -0.00 -0.00 -0.00 0.02 0.00 -0.00 0.49 0.02 0.71 0.19 0.02 -0.41 0.04 0.00 0.06 -0.20 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.02 0.00 -0.01 -0.02 0.00 -0.01 0.02 -0.00 0.05 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.02 -0.01 -0.00 0.02 -0.01 -0.00 -0.01 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.03 -0.00 0.02 0.02 -0.00 0.02 -0.03 0.00 -0.06 0.00 -0.01 0.22 0.32 0.01 -0.18 -0.26 0.02 -0.17 0.36 -0.06 0.74 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.03 -0.00 0.05 0.03 0.00 -0.04 0.03 0.00 0.05 -0.11 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.01 -0.01 0.00 -0.03 -0.00 -0.00 0.11 -0.15 0.01 -0.08 -0.17 0.00 -0.08 0.12 -0.03 0.35 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.02 0.03 0.00 -0.02 -0.03 0.00 -0.02 0.04 -0.01 0.07 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 0.03 0.01 0.00 -0.02 0.02 0.00 0.03 -0.06 -0.00 -0.00 0.20 0.01 -0.29 -0.16 -0.01 0.23 -0.15 -0.02 -0.33 0.66 0.05 0.05 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 0.03 0.00 -0.00 -0.00 -0.00 0.02 0.03 -0.00 0.01 -0.02 0.00 -0.06 -0.00 -0.01 0.20 -0.29 0.02 -0.15 -0.32 0.01 -0.16 0.23 -0.05 0.66 0.05 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.03 -0.00 -0.04 0.02 0.00 -0.05 0.02 0.00 0.03 -0.10 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.03 -0.04 -0.00 0.02 0.03 -0.00 0.02 -0.04 0.01 -0.09 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.03 0.00 0.00 -0.10 -0.00 0.15 0.08 0.00 -0.12 0.08 0.01 0.17 -0.33 -0.03 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.02 -0.03 0.00 -0.02 -0.04 0.00 -0.02 0.03 -0.01 0.08 0.01 -0.00 -0.00 0.00 -0.02 -0.00 -0.03 -0.00 -0.00 0.00 0.02 0.00 -0.03 0.02 0.00 0.02 -0.06 -0.00 0.01 0.23 0.01 0.33 -0.17 -0.02 0.36 -0.18 -0.01 -0.26 0.74 0.06 -0.05 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.00 0.01 0.02 -0.00 0.01 -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.00 0.02 0.01 0.00 -0.02 0.01 0.00 0.03 -0.05 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.01 0.03 0.00 -0.02 0.02 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.02 -0.00 -0.02 0.00 0.00 -0.00 0.03 0.00 -0.06 -0.03 -0.00 -0.04 0.02 0.00 0.00 0.15 0.01 0.21 -0.30 -0.04 0.64 0.33 0.01 0.49 -0.27 -0.02 0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.02 -0.01 -0.00 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.02 0.00 -0.00 -0.00 0.00 -0.03 -0.06 -0.00 0.03 -0.04 0.00 -0.02 0.00 0.01 -0.14 0.20 -0.04 0.30 0.64 0.01 -0.33 0.49 -0.02 0.26 0.02 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.03 -0.02 -0.00 -0.02 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.02 -0.00 0.01 -0.02 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.02 -0.00 0.02 0.02 0.00 0.03 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.03 -0.00 0.02 -0.02 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 0.02 0.01 0.00 0.02 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.02 0.03 0.00 -0.02 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 -0.02 0.03 0.00 -0.04 -0.03 -0.00 -0.06 -0.02 -0.00 0.00 -0.14 -0.01 0.20 -0.33 -0.01 0.49 0.30 0.04 0.64 0.27 0.02 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.01 0.03 0.00 -0.01 0.02 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.02 0.00 -0.03 -0.04 -0.00 0.03 -0.06 -0.00 0.02 0.00 -0.01 0.14 0.20 -0.01 0.33 0.49 0.04 -0.30 0.64 0.02 -0.27 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 0.02 0.00 -0.03 -0.02 -0.00 -0.04 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.00 0.02 0.00 -0.00 -0.02 0.00 -0.00 0.00 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.03 -0.00 0.03 -0.05 -0.00 0.05 0.00 -0.00 0.07 -0.09 0.02 -0.15 -0.32 0.01 -0.40 0.59 0.04 -0.55 -0.04 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.02 0.03 0.00 -0.06 0.07 0.00 0.11 0.10 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 -0.01 -0.05 -0.00 0.07 -0.02 -0.00 -0.03 -0.06 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.00 -0.00 -0.00 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.00 -0.01 -0.00 0.00 -0.01 0.02 -0.00 0.02 0.05 -0.00 0.07 -0.10 -0.01 0.09 0.01 0.00 0.00 -0.00 0.01 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.03 -0.03 -0.00 -0.05 -0.05 -0.00 0.00 -0.06 -0.00 -0.09 0.14 0.02 -0.30 0.40 0.01 0.58 0.54 0.04 -0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 -0.01 -0.02 -0.00 0.08 0.12 -0.00 0.03 -0.06 -0.01 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.05 0.00 -0.07 0.02 0.00 0.04 0.06 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.03 -0.00 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 0.03 -0.00 0.04 -0.06 -0.00 0.05 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.03 0.00 -0.01 0.01 0.00 -0.02 0.00 0.00 -0.03 -0.04 -0.01 0.19 0.29 -0.01 0.07 -0.15 -0.02 0.26 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.03 0.00 -0.05 0.01 0.00 0.03 0.05 0.00 0.00 0.06 0.00 -0.08 -0.36 -0.01 0.53 -0.13 -0.02 -0.28 -0.49 -0.04 -0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 -0.00 0.01 -0.01 0.00 -0.02 -0.03 0.00 -0.04 0.06 0.00 -0.06 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.01 0.01 0.00 -0.00 0.01 0.00 0.02 -0.03 -0.00 0.07 -0.09 -0.00 -0.13 -0.12 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.03 -0.05 0.00 -0.01 0.03 0.00 -0.04 0.00 0.00 -0.06 -0.08 -0.01 0.35 0.52 -0.02 0.13 -0.27 -0.04 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.00 0.03 -0.01 -0.00 -0.01 -0.02 -0.00 -0.00 -0.03 -0.00 0.04 0.19 0.01 -0.27 0.07 0.01 0.14 0.25 0.02 0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.00 0.02 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.00 -0.00 0.01 -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.03 -0.00 -0.00 -0.01 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.33 -0.01 -0.30 -0.06 -0.01 -0.02 -0.40 -0.01 0.37 0.07 -0.01 0.41 -0.02 0.01 -0.08 0.38 0.01 -0.30 0.01 0.01 0.06 -0.28 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.04 0.00 0.03 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.04 -0.00 0.04 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 0.00 -0.00 0.00 -0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 0.45 -0.01 -0.41 -0.08 -0.01 0.02 0.51 0.01 -0.47 -0.09 0.01 0.23 -0.01 0.01 -0.04 0.21 0.00 0.11 -0.00 -0.00 -0.02 0.09 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.01 0.02 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.00 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 0.00 -0.00 0.01 -0.04 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.04 0.00 0.00 0.01 -0.04 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.26 0.01 0.23 0.05 0.00 -0.00 -0.09 -0.00 0.07 0.01 -0.00 0.47 -0.02 0.01 -0.09 0.44 0.01 0.48 -0.02 -0.01 -0.09 0.44 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.02 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 0.00 0.03 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.03 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.00 0.00 -0.01 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 0.00 0.00 0.01 -0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.40 -0.01 -0.36 -0.07 -0.01 -0.01 -0.31 -0.01 0.28 0.06 -0.01 -0.29 0.01 -0.01 0.05 -0.26 -0.01 0.45 -0.02 -0.01 -0.08 0.40 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.02 0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.02 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 0.00 -0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.04 0.00 0.04 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.04 0.00 0.00 0.01 -0.04 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.00 0.00 -0.00 0.03 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.27 -0.01 0.29 0.06 0.01 -0.02 -0.40 -0.01 -0.42 -0.08 0.01 -0.41 0.02 -0.01 -0.08 0.43 0.01 0.24 -0.01 -0.01 0.05 -0.26 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 0.00 -0.05 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.04 -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.02 0.00 0.00 0.00 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.44 -0.01 0.47 0.09 0.01 0.02 0.46 0.01 0.48 0.09 -0.01 -0.20 0.01 -0.01 -0.04 0.22 0.00 -0.09 0.00 0.00 -0.02 0.10 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.00 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.04 0.00 0.00 0.01 -0.04 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.05 0.00 -0.00 0.01 -0.05 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.23 0.01 -0.25 -0.05 -0.01 -0.00 -0.04 -0.00 -0.05 -0.01 0.00 -0.41 0.02 -0.01 -0.08 0.42 0.01 -0.49 0.02 0.01 -0.10 0.52 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 0.00 -0.04 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.03 0.00 0.03 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.00 -0.00 -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.04 0.00 -0.00 0.01 -0.04 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.36 -0.01 0.38 0.07 0.01 -0.01 -0.30 -0.01 -0.31 -0.06 0.01 0.30 -0.01 0.01 0.06 -0.31 -0.01 -0.39 0.02 0.01 -0.08 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00</array>
<array dataType="xsd:integer" dictRef="cc:atomicNumber" size="77">6 7 6 6 6 6 7 6 6 6 6 7 6 6 6 6 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 6 6 6 6 6 6 1 1 1 1 6 6 6 6 6 6 1 1 1 1 6 6 6 6 6 6 1 1 1 1 6 6 6 6 6 6 1 1 1 1 35 35 35 35 26</array>
</module>
</module>
<table id="l716.forcematrix"/>
</property>
<property dictRef="cc:thermochemistry">
<list id="l716.thermochemistry">
<scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.150</scalar>
<scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.00000</scalar>
<list cmlx:templateRef="mass">
<array dataType="xsd:integer" dictRef="cc:serial" size="77">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 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77</array>
<array dataType="xsd:integer" dictRef="x:elementType" size="77">6 7 6 6 6 6 7 6 6 6 6 7 6 6 6 6 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 6 6 6 6 6 6 1 1 1 1 6 6 6 6 6 6 1 1 1 1 6 6 6 6 6 6 1 1 1 1 6 6 6 6 6 6 1 1 1 1 35 35 35 35 26</array>
<array dataType="xsd:double" dictRef="cc:atomicmass" size="77">12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 78.91834 78.91834 78.91834 78.91834 55.93494</array>
</list>
<scalar cmlx:templateRef="molmass" dataType="xsd:double" dictRef="cc:molmass">979.80838</scalar>
<matrix cols="3" dataType="xsd:double" dictRef="cc:moi.eigenvectors" rows="3">0.99916 0.04098 -2.0E-5 -0.04098 0.99916 1.0E-5 2.0E-5 -0.0 1.0</matrix>
<scalar dataType="xsd:string" dictRef="g:top">asymmetric</scalar>
<scalar dataType="xsd:integer" dictRef="cc:symmnumber">1</scalar>
<array cmlx:templateRef="rottemp" dataType="xsd:double" dictRef="cc:rottemp" size="3">0.00163 0.00163 0.00100</array>
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.03400 0.03400 0.02083</array>
<scalar dataType="xsd:double" dictRef="cc:zpe" units="u:jmol-1">1449978.3</scalar>
<array dataType="xsd:double" dictRef="cc:vibtemp" size="225">17.40 21.58 22.75 22.83 22.99 33.50 50.21 50.40 58.06 60.71 64.77 64.80 66.56 100.90 128.17 136.14 136.14 178.29 179.51 182.00 182.09 196.82 205.58 220.78 255.30 255.33 315.52 315.54 321.91 331.71 376.94 376.95 383.41 386.45 386.50 390.90 396.08 418.51 432.12 434.66 434.66 441.22 466.81 469.42 469.46 512.25 512.27 524.83 544.63 573.31 586.76 586.77 635.39 649.64 659.19 665.17 665.24 672.55 689.70 698.09 698.10 773.08 808.13 808.16 826.00 827.98 828.00 834.67 848.96 918.15 935.15 935.16 941.00 955.41 955.42 958.05 967.94 985.99 1002.32 1002.38 1017.80 1022.91 1026.06 1026.06 1042.76 1046.85 1072.92 1072.94 1079.41 1084.57 1086.12 1089.84 1089.85 1097.43 1098.25 1098.26 1115.13 1206.93 1207.17 1214.52 1214.55 1229.50 1229.66 1229.68 1231.71 1263.14 1265.28 1265.34 1267.38 1272.55 1288.59 1288.61 1300.46 1387.50 1387.57 1388.03 1388.09 1431.66 1438.10 1440.39 1440.42 1443.14 1443.29 1443.31 1443.71 1468.99 1473.58 1484.64 1484.71 1496.70 1510.82 1510.91 1516.23 1527.61 1539.27 1539.28 1542.88 1547.68 1547.73 1555.81 1560.57 1622.91 1622.98 1623.04 1623.30 1654.72 1654.73 1654.77 1654.78 1723.46 1760.97 1760.98 1784.45 1794.96 1797.30 1797.35 1799.42 1835.28 1841.40 1841.49 1856.11 1900.52 1940.63 1940.67 1977.39 1977.56 1977.71 1978.03 2010.89 2025.22 2036.04 2038.34 2038.36 2066.92 2088.74 2089.76 2089.84 2089.88 2130.60 2150.31 2150.34 2159.15 2177.66 2182.44 2182.49 2245.22 2279.00 2290.86 2290.95 2331.49 2331.93 2332.02 2332.13 2332.88 2340.09 2340.21 2351.25 2377.86 2378.14 2378.17 2378.90 4561.92 4561.94 4562.01 4562.19 4579.05 4579.07 4579.07 4579.10 4595.15 4595.19 4595.24 4595.27 4607.99 4608.04 4608.07 4608.10 4611.86 4612.34 4612.37 4612.74 4642.10 4642.39 4642.43 4643.00</array>
</list>
</property>
<property dictRef="cc:zeropoint">
<list id="l716.zeropoint">
<scalar dataType="xsd:string" dictRef="cc:zpe.correction" units="nonsi:hartree">0.552268</scalar>
<scalar dataType="xsd:string" dictRef="cc:zpe.thermalcorrener" units="nonsi:hartree">0.595543</scalar>
<scalar dataType="xsd:string" dictRef="cc:zpe.thermalcorrenthalpy" units="nonsi:hartree">0.596487</scalar>
<scalar dataType="xsd:string" dictRef="cc:zpe.thermalcorrgfe" units="nonsi:hartree">0.468858</scalar>
<scalar dataType="xsd:string" dictRef="cc:zpe.sumelectzpe" units="nonsi:hartree">-13466.902222</scalar>
<scalar dataType="xsd:string" dictRef="cc:zpe.sumelectthermal" units="nonsi:hartree">-13466.858946</scalar>
<scalar dataType="xsd:string" dictRef="cc:zpe.sumelectthermalent" units="nonsi:hartree">-13466.858002</scalar>
<scalar dataType="xsd:string" dictRef="cc:zpe.sumelectthermalfe" units="nonsi:hartree">-13466.985632</scalar>
</list>
</property>
<property>
<module cmlx:templateRef="l716.thermoprops">
<list cmlx:templateRef="total">
<scalar dataType="xsd:double" dictRef="cc:ethermo.total">373.709</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.total">168.940</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.total">268.620</scalar>
</list>
<list cmlx:templateRef="elect">
<scalar dataType="xsd:double" dictRef="cc:ethermo.elect">0.000</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.elect">0.000</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.elect">0.000</scalar>
</list>
<list cmlx:templateRef="trans">
<scalar dataType="xsd:double" dictRef="cc:ethermo.trans">0.889</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.trans">2.981</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.trans">46.521</scalar>
</list>
<list cmlx:templateRef="rot">
<scalar dataType="xsd:double" dictRef="cc:ethermo.rot">0.889</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.rot">2.981</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.rot">40.719</scalar>
</list>
<list cmlx:templateRef="vib">
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">371.932</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">162.978</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">181.380</scalar>
</list>
<list cmlx:templateRef="vibn">
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">1</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.593</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.987</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">7.633</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">2</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.593</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.986</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">7.206</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">3</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.593</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.986</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">7.101</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">4</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.593</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.986</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">7.094</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">5</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.593</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.986</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">7.080</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">6</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.593</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.985</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">6.333</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">7</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.594</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.983</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">5.530</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">8</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.594</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.982</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">5.522</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">9</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.594</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.981</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">5.242</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">10</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.595</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.980</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">5.153</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">11</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.595</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.979</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">5.025</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">12</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.595</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.979</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">5.024</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">13</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.595</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.979</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">4.971</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">14</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.598</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.968</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">4.150</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">15</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.602</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.957</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">3.680</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">16</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.603</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.953</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">3.562</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">17</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.603</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.953</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">3.562</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">18</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.610</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.929</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">3.038</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">19</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.610</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.928</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">3.025</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">20</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.611</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.927</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">2.999</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">21</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.611</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.927</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">2.998</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">22</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.614</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.917</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">2.848</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">23</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.616</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.910</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">2.765</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">24</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.619</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.899</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">2.629</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">25</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.628</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.870</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">2.355</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">26</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.628</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.870</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">2.355</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">27</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.647</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.812</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.965</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">28</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.647</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.812</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.965</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">29</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.649</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.805</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.929</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">30</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.652</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.794</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.875</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">31</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.669</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.742</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.649</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">32</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.669</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.742</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.648</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">33</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.672</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.735</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.619</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">34</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.673</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.731</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.605</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">35</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.673</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.731</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.605</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">36</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.675</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.725</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.585</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">37</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.677</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.719</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.563</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">38</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.687</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.691</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.469</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">39</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.693</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.673</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.415</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">40</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.694</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.670</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.405</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">41</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.694</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.670</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.405</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">42</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.697</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.661</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.380</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">43</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.709</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.627</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.288</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">44</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.710</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.623</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.279</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">45</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.710</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.623</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.278</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">46</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.732</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.563</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.139</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">47</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.732</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.563</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.139</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">48</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.738</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.545</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.102</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">49</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.749</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.516</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.045</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">50</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.765</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.473</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.968</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">51</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.772</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.453</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.934</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">52</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.772</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.453</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.934</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">53</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.801</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.379</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.822</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">54</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.810</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.358</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.791</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">55</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.816</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.343</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.771</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">56</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.820</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.334</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.759</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">57</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.820</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.334</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.759</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">58</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.825</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.322</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.745</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">59</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.836</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.296</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.712</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">60</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.841</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.283</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.696</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">61</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.841</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.283</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.696</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">62</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.892</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.168</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.571</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">63</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.917</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.114</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.520</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">64</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.917</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.114</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.520</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">65</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.930</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.087</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.496</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">66</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.932</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.084</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.494</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">67</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.932</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.084</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.494</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">68</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.937</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.074</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.485</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">69</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.947</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.053</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.467</scalar>
</list>
</list>
<list cmlx:templateRef="totalv0">
<scalar dataType="xsd:double" dictRef="cc:q.v0">0.232218e+39</scalar>
<scalar dataType="xsd:double" dictRef="cc:logq.v0">38.365896</scalar>
<scalar dataType="xsd:double" dictRef="cc:lnq.v0">88.340741</scalar>
</list>
<list cmlx:templateRef="vibv0">
<scalar dataType="xsd:double" dictRef="cc:q.vibv0">0.108927e+22</scalar>
<scalar dataType="xsd:double" dictRef="cc:logq.vibv0">21.037135</scalar>
<scalar dataType="xsd:double" dictRef="cc:lnq.vibv0">48.439794</scalar>
</list>
<list cmlx:templateRef="elect">
<scalar dataType="xsd:double" dictRef="cc:q.elect">0.100000e+01</scalar>
<scalar dataType="xsd:double" dictRef="cc:logq.elect">0.000000</scalar>
<scalar dataType="xsd:double" dictRef="cc:lnq.elect">0.000000</scalar>
</list>
<list cmlx:templateRef="trans">
<scalar dataType="xsd:double" dictRef="cc:q.trans">0.120550e+10</scalar>
<scalar dataType="xsd:double" dictRef="cc:logq.trans">9.081166</scalar>
<scalar dataType="xsd:double" dictRef="cc:lnq.trans">20.910157</scalar>
</list>
<list cmlx:templateRef="rot">
<scalar dataType="xsd:double" dictRef="cc:q.rot">0.176846e+09</scalar>
<scalar dataType="xsd:double" dictRef="cc:logq.rot">8.247595</scalar>
<scalar dataType="xsd:double" dictRef="cc:lnq.rot">18.990790</scalar>
</list>
</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">-0.0006 -0.0027 0.0059</array>
<scalar dataType="xsd:double" dictRef="x:dipole">0.0065</scalar>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-390.5353 -390.5218 -371.6015</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">0.0096 -0.0129 0.0105</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-6.3158 -6.3023 12.6181 0.0096 -0.0129 0.0105</array>
<array dataType="xsd:double" dictRef="cc:octapole" size="10">0.2478 0.0432 0.0198 -0.1296 -0.0148 105.1811 -0.0077 -0.0573 -105.0483 19.0816</array>
<array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-25312.2038 -25310.2227 -4558.6571 385.5074 -0.9428 -385.2707 1.1079 0.5380 -0.1178 -10056.6305 -5485.6549 -5485.0583 -0.3081 0.4476 -0.0170</array>
</list>
</property>
<property dictRef="cc:virtualorbs">
<array dataType="xsd:string" delimiter="|" size="709">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
</property>
<property dictRef="cc:occupiedorbs">
<array dataType="xsd:string" delimiter="|" size="242">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
</property>
</propertyList>
<module dictRef="cc:userDefinedModule" id="otherComponents">
<module cmlx:templateRef="l9999.archive" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
<scalar dataType="xsd:string" dictRef="cc:electronicstate">1-A</scalar>
<scalar dataType="xsd:double" dictRef="cc:hfenergy" units="nonsi:hartree">-13467.4544897</scalar>
<scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">1.345E-9</scalar>
<scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">9.334E-5</scalar>
<scalar dataType="xsd:string" dictRef="x:ZeroPoint">0.5522676</scalar>
<scalar dataType="xsd:string" dictRef="x:Thermal">0.5955433</scalar>
<scalar dataType="xsd:string" dictRef="x:ETot">-13466.8589464</scalar>
<scalar dataType="xsd:string" dictRef="x:HTot">-13466.8580022</scalar>
<scalar dataType="xsd:string" dictRef="x:GTot">-13466.9856321</scalar>
<scalar dataType="xsd:string" dictRef="x:Quadrupole">-4.6954043,-4.6858259,9.3812302,0.0072773,0.0079715,-0.0055998</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C44H24Br4Fe1N4)]</scalar>
<array dataType="xsd:double" dictRef="cc:dipole" size="3" units="nonsi:debye">0.0002451 0.0010392 0.0023031</array>
<array dataType="xsd:double" dictRef="cc:dipolederiv" size="693" units="nonsi:unknown">-0.7825352 0.4355237 -0.0108358 0.2247576 -0.3947213 0.0107642 0.0299226 -0.0709202 0.0096616 -0.4159123 0.3471808 0.0038039 0.3513895 -0.3350708 0.0079598 0.0189582 0.0264864 -0.1934891 -0.4895081 0.2663447 0.0221079 0.4762245 -0.7091504 0.0069445 -0.0298467 0.0323243 0.0050519 1.0766809 0.9618302 -0.0073359 -0.3117323 -0.6602742 -0.0001472 -0.0590638 -0.1093708 -0.2493484 -0.729938 -0.5302774 -0.0082845 0.7428827 1.1087284 0.0258567 0.0834355 0.0675833 -0.2561432 -0.3950046 -0.2250272 -0.0106679 -0.4356358 -0.7829018 -0.0107375 0.0705777 0.0298618 0.0097825 -0.3348209 -0.3512556 -0.00783 -0.3473644 -0.4165913 0.0040044 -0.0262509 0.0191666 -0.1935241 -0.7092589 -0.4771285 -0.0067922 -0.265966 -0.4888154 0.0220375 -0.0322187 -0.0293269 0.0049954 1.0765166 0.9613791 0.0075857 -0.3123222 -0.6610283 0.000061 0.0590833 0.1095412 -0.2493627 -0.729562 -0.5302639 0.0082495 0.7432125 1.1087685 -0.0260211 -0.0839639 -0.067863 -0.256024 -0.3943421 -0.2248063 0.0105971 -0.4360152 -0.7830368 0.0106793 -0.0709825 -0.0300937 0.0096558 -0.3353428 -0.3513932 0.0077875 -0.3472108 -0.4161234 -0.0040047 0.0264068 -0.0191069 -0.1934339 -0.7095366 -0.476606 0.0068258 -0.2663683 -0.4891279 -0.0220252 0.0322781 0.0312297 0.0048046 -0.6609579 0.3122928 0.0000403 -0.9617459 1.0764608 -0.0075888 0.1092955 -0.0591296 -0.249379 1.109089 -0.7434103 -0.0258009 0.5302046 -0.7291763 -0.008146 -0.0679491 0.0840477 -0.255971 -0.7832051 0.4362645 0.0106871 0.2250503 -0.3946718 -0.0104894 -0.0300854 0.0700544 0.0097982 -0.4166735 0.3475101 -0.0039508 0.3512364 -0.3349878 -0.0079237 -0.0192944 -0.0261822 -0.193492 -0.4885577 0.2659351 -0.0220659 0.4773493 -0.7097322 -0.0066553 0.0306119 -0.032279 0.0048491 -0.6603029 0.3117192 -0.0001074 -0.9614082 1.076962 0.0071428 -0.1093826 0.0589519 -0.2493307 1.1081917 -0.7426371 0.0262835 0.5301598 -0.7301391 0.0083432 0.0677751 -0.0837472 -0.2561174 1.1736068 0.0747295 0.0126505 0.077194 -0.1244845 -0.0193795 0.0053677 -0.0441707 -0.1342124 1.1737552 0.0737271 -0.0125551 0.0771483 -0.1244374 0.019041 -0.0049438 0.0422982 -0.1342358 -0.1245645 -0.0770795 0.0192316 -0.0745768 1.1738447 0.0126218 0.0431778 0.0051718 -0.1342175 -0.1240534 -0.0772834 -0.0188551 -0.0735365 1.173788 -0.0125986 -0.0430352 -0.0052993 -0.1341583 0.1266432 0.0015192 0.0008409 -0.0783466 -0.2113047 -0.0111638 0.0080309 0.0092902 0.1751635 -0.2005523 -0.1184232 0.0079513 -0.0413834 0.1134282 -0.001298 -0.0114529 -0.008679 0.1768485 0.1271564 0.0014449 -0.0008686 -0.0783341 -0.2109551 0.0112196 -0.0080251 -0.0094458 0.1751643 -0.2006152 -0.1184204 -0.0080162 -0.0413646 0.1134818 0.0013042 0.0115404 0.0087335 0.1768077 -0.2108884 0.078318 0.0111936 -0.0014404 0.127207 0.0008783 -0.0093184 0.0080257 0.1751666 0.1134582 0.0413844 0.0012957 0.1184617 -0.2007011 0.0080217 0.0087507 -0.0114315 0.1768069 -0.211336 0.0783466 -0.0113187 -0.0015691 0.1265763 -0.0008185 0.0091834 -0.0079638 0.1751651 0.1134156 0.0413687 -0.0013375 0.1184027 -0.2004954 -0.0078745 -0.0087514 0.0117224 0.1768508 0.0441862 -0.0627296 -0.0169779 -0.0601156 1.1103755 0.1369943 -0.0030722 -0.0693869 -0.2609238 -0.1541193 0.0060575 0.0156335 -0.0028102 -0.1655289 -0.0774168 0.0028515 0.0330371 0.0896413 -0.1122117 -0.0187724 0.0524896 -0.021057 0.0911558 -0.405851 0.0449594 -0.3072388 1.1247887 -0.1397634 0.0107425 0.0021449 0.0020282 -0.1683539 -0.0060952 -0.0025688 0.0653732 0.0293238 -0.1027049 0.004854 -0.0086298 0.0113391 -0.2432681 0.1044309 -0.0050136 0.0368041 -0.2181585 -0.1432658 -0.0087546 0.0021426 -0.0060634 -0.0147041 0.051855 0.0069759 0.0118057 0.0288595 0.1384427 0.0021993 0.0000688 0.0024038 0.0444397 -0.1039849 -0.0001716 -0.0835522 -0.0629167 0.149623 0.0090007 -0.0103056 0.0110269 -0.0048716 0.0899656 -0.0127733 0.1264713 -0.0901153 0.1486245 0.0060762 0.0005255 0.0056502 0.0281987 -0.0508929 0.0021675 -0.1109706 -0.0285851 0.1472275 0.0156614 -0.0030118 0.0174655 -0.1491931 0.024873 -0.0032386 0.0263511 0.079246 1.1100703 0.0599661 -0.1368844 0.0632371 0.0444252 -0.0172279 0.0703913 -0.0034129 -0.2617806 -0.1652035 0.0029604 0.0776451 -0.0064692 -0.1541964 0.0161136 -0.0334351 0.0032351 0.0894753 0.0906935 0.0216386 0.4052648 0.0193985 -0.1120309 0.0536706 0.3064221 0.0464219 1.1261341 -0.1684688 -0.0018257 0.0060149 -0.0111862 -0.1397412 0.0026193 -0.0654213 -0.0021854 0.0294624 -0.2430482 -0.0114355 -0.1040156 -0.0042988 -0.1027127 -0.0088818 -0.0366886 -0.0053658 -0.218614 -0.0148267 0.0058481 -0.0520438 0.0083958 -0.1432494 0.0022638 -0.0120105 0.0073484 0.0288401 0.0443492 -0.0022886 0.1040556 -0.0019841 0.1384693 -0.0003989 0.0837385 -0.0004357 -0.0624943 -0.0048011 -0.0112003 -0.0899364 -0.0090162 0.1495782 -0.0107247 -0.1264312 -0.0132199 -0.0902535 0.028265 -0.0055904 0.0508985 -0.0060075 0.1486441 0.0004107 0.110899 0.0019732 -0.0282919 -0.1490651 -0.0174735 -0.0249978 -0.0159089 0.1472219 -0.0031514 -0.0265286 -0.0033415 0.0791891 0.044311 -0.0632027 0.0174413 -0.05991 1.1106912 -0.1377126 0.0036353 0.0692465 -0.2608176 -0.1119757 -0.0197819 -0.0542955 -0.0218258 0.0917859 0.4067133 -0.0469528 0.3084056 1.1242652 -0.1540716 0.0064864 -0.0162382 -0.0029927 -0.1654109 0.0777238 -0.0032301 -0.0330901 0.0895993 -0.1028168 0.0043671 0.0089617 0.0115553 -0.2432512 -0.1043753 0.0053975 -0.0367297 -0.2183077 -0.1397234 0.0112748 -0.0026528 0.0018229 -0.168351 0.0061373 0.0021373 -0.0652253 0.029379 -0.1432877 -0.0084307 -0.0022917 -0.0058498 -0.0149377 -0.052101 -0.0074069 -0.0119633 0.0289251 0.1384374 0.0019034 0.0004609 0.0022765 0.0445584 0.1039079 0.0005198 0.0834216 -0.063121 0.1486595 0.0059471 -0.0003023 0.0055766 0.0282108 0.0509142 -0.0018865 0.1108117 -0.0285212 0.1495808 0.009054 0.0107575 0.0112276 -0.0049612 -0.0900111 0.0132615 -0.1265069 -0.0899081 0.1472012 0.0159219 0.0031455 0.0174738 -0.1493746 -0.0246793 0.0033231 -0.0258593 0.0792622 1.1106158 0.0599766 0.1375643 0.0629115 0.0441495 0.0173039 -0.0693943 0.0033024 -0.2608939 0.0917123 0.0215032 -0.4065136 0.0190758 -0.112106 -0.0535846 -0.3080208 -0.0460526 1.1246308 -0.165364 0.0028188 -0.0777165 -0.0065953 -0.1541287 -0.0157242 0.0330975 -0.0030863 0.0895755 -0.2433361 -0.0114845 0.1044008 -0.0047305 -0.1028244 0.0087622 0.036821 0.0050839 -0.2184462 -0.168419 -0.0020998 -0.0061602 -0.010695 -0.1397419 -0.0026335 0.0652651 0.0027393 0.0294161 -0.0148775 0.0062856 0.05211 0.0084103 -0.1432608 -0.0021838 0.0119385 -0.0071514 0.0289586 0.0445024 -0.0023121 -0.1039027 -0.0020351 0.1384549 -0.0001039 -0.0834621 0.0003633 -0.0630681 0.0281713 -0.0056312 -0.0509434 -0.0060877 0.1486578 -0.0003609 -0.110814 -0.0019976 -0.0284743 -0.0049117 -0.0110483 0.0899907 -0.0092443 0.1496024 0.0108057 0.1264993 0.0128282 -0.0899721 -0.1493176 -0.0176237 0.0247432 -0.0153993 0.1472358 0.0029671 0.0259447 0.003271 0.0792507 -0.248106 -0.0141765 -0.231436 -0.0130106 -0.045415 -0.0319503 -0.1406956 -0.03043 -0.7437649 -0.0451379 0.0133136 0.0321358 0.0140942 -0.248965 -0.2317512 0.0307405 -0.1420775 -0.74274 -0.2487463 -0.014042 0.2316898 -0.0131705 -0.045105 0.0319585 0.1418985 0.0300313 -0.7429331 -0.0449649 0.0128995 -0.0315623 0.0140818 -0.2483238 0.2313943 -0.0293877 0.1413112 -0.743108 0.4868159 0.0003404 0.000024 -0.000341 0.4868339 0.0000039 -0.0001116 0.0001628 0.0738539</array>
<array dataType="xsd:double" delimiter="|" dictRef="cc:polarizability" size="6" units="nonsi:unknown">1386.581918|0.0278337|1386.5588206|-0.0731704|-0.0337764|739.6014864</array>
</module>
</module>
<molecule formalCharge="-2" id="mol9999" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="1.38931845" y3="-2.70462604" z3="-0.03886189">
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.77" size="3">0.000054533 -0.000020889 -0.000183926</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.78" size="3">0.000155637 0.000032387 0.000038325</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.79" size="3">-0.000079929 0.000115465 0.000057882</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.80" size="3">-0.000004102 -0.000264235 0.000061266</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.81" size="3">-0.000150141 0.000251917 -0.000094331</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.82" size="3">-0.000047225 0.000006806 0.000214362</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.83" size="3">0.000053518 -0.000165472 -0.000062422</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.84" size="3">0.000123677 0.000106724 -0.000027788</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.85" size="3">-0.000308574 0.000240772 0.000037352</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.86" size="3">0.000280749 -0.000187111 -0.000072766</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.87" size="3">-0.000046675 0.000147491 0.000195694</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.88" size="3">-0.000095677 0.000076651 -0.000063540</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.89" size="3">-0.000065099 -0.000003705 -0.000000068</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.90" size="3">-0.000203859 -0.000299981 -0.000047041</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.91" size="3">0.000198741 0.000265325 0.000081692</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.92" size="3">-0.000082784 0.000011009 -0.000203373</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.93" size="3">-0.000100838 -0.000100716 0.000070156</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.94" size="3">0.000033444 -0.000031627 0.000002384</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.95" size="3">0.000253552 0.000001779 -0.000067211</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.96" size="3">-0.000262371 -0.000124158 0.000088159</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.97" size="3">0.000032968 -0.000050196 -0.000055260</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.98" size="3">0.000032203 -0.000019125 -0.000070881</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.99" size="3">0.000014554 -0.000029994 0.000065721</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.100" size="3">0.000066788 -0.000068805 -0.000055724</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.101" size="3">0.000045578 0.000012741 0.000012836</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.102" size="3">0.000003876 -0.000044483 -0.000092140</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.103" size="3">0.000085132 -0.000006337 0.000015347</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.104" size="3">-0.000020361 0.000039338 -0.000090141</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.105" size="3">0.000010250 0.000086619 -0.000016808</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.106" size="3">-0.000039115 -0.000013932 0.000088578</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.107" size="3">-0.000010070 0.000046458 -0.000016462</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.108" size="3">0.000042921 0.000002526 0.000088035</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.109" size="3">0.000099915 0.000002613 0.000076263</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.110" size="3">-0.000023787 -0.000065109 -0.000028580</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.111" size="3">0.000034389 0.000112035 -0.000003364</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.112" size="3">0.000019764 -0.000040277 -0.000000219</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.113" size="3">-0.000074638 -0.000026352 -0.000005686</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.114" size="3">0.000036241 -0.000006639 -0.000027331</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.115" size="3">-0.000016848 -0.000012775 0.000014846</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.116" size="3">-0.000011313 0.000036368 0.000007081</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.117" size="3">-0.000026102 -0.000043483 -0.000053635</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.118" size="3">-0.000007620 0.000021162 0.000044203</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.119" size="3">-0.000006307 -0.000124308 0.000268662</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.120" size="3">-0.000085655 0.000042082 -0.000171920</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.121" size="3">0.000120377 0.000018137 -0.000253669</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.122" size="3">0.000005740 -0.000053686 0.000044135</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.123" size="3">-0.000078442 0.000029915 0.000061553</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.124" size="3">-0.000036574 0.000029361 0.000025760</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.125" size="3">0.000026069 0.000019477 0.000021964</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.126" size="3">0.000033360 -0.000009197 -0.000013458</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.127" size="3">-0.000034391 -0.000000519 0.000057693</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.128" size="3">0.000020242 0.000016022 -0.000040925</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.129" size="3">-0.000115095 -0.000062378 0.000030402</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.130" size="3">0.000003450 -0.000042932 0.000046895</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.131" size="3">0.000059813 0.000073140 -0.000029590</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.132" size="3">0.000042289 -0.000056691 -0.000208903</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.133" size="3">-0.000056405 0.000017176 -0.000000946</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.134" size="3">0.000023354 0.000010678 0.000231043</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.135" size="3">0.000014825 0.000029295 0.000028694</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.136" size="3">-0.000001237 0.000088082 -0.000016770</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.137" size="3">-0.000011200 -0.000023414 0.000001704</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.138" size="3">0.000018758 -0.000010383 -0.000064139</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.139" size="3">-0.000068065 0.000087024 -0.000004209</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.140" size="3">-0.000076414 0.000035501 -0.000058494</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.141" size="3">0.000068297 0.000069203 0.000022110</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.142" size="3">-0.000056959 -0.000120409 0.000217933</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.143" size="3">0.000025827 -0.000140979 -0.000022983</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.144" size="3">0.000044804 0.000168770 -0.000229430</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.145" size="3">0.000024308 -0.000010751 -0.000026848</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.146" size="3">0.000093013 -0.000037902 0.000015591</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.147" size="3">-0.000015614 -0.000004634 -0.000000336</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.148" size="3">-0.000012258 -0.000005889 0.000060936</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.149" size="3">-0.000012109 -0.000035307 -0.000037483</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.150" size="3">-0.000028310 0.000038172 0.000110677</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.151" size="3">0.000039267 0.000036816 -0.000109325</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.152" size="3">0.000035104 -0.000051027 0.000115498</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.153" size="3">-0.000005163 -0.000009230 0.000006689</array>
</property>
</atom>
<atom elementType="N" id="a2" x3="1.47656485" y3="-1.31316331" z3="0.0011014"/>
<atom elementType="C" id="a3" x3="2.84836514" y3="-1.06417108" z3="0.04540309"/>
<atom elementType="C" id="a4" x3="-2.28230669" y3="-3.59622328" z3="-0.0381124"/>
<atom elementType="C" id="a5" x3="-3.3052284" y3="-2.68685959" z3="0.02136529"/>
<atom elementType="C" id="a6" x3="-2.70436916" y3="-1.38945769" z3="0.03833293"/>
<atom elementType="N" id="a7" x3="-1.31294065" y3="-1.47664103" z3="-0.00158748"/>
<atom elementType="C" id="a8" x3="-1.06390309" y3="-2.84846692" z3="-0.04545024"/>
<atom elementType="C" id="a9" x3="2.28277227" y3="3.595754" z3="-0.03850038"/>
<atom elementType="C" id="a10" x3="3.30545006" y3="2.68627933" z3="0.02144157"/>
<atom elementType="C" id="a11" x3="2.70455428" y3="1.38892055" z3="0.03874943"/>
<atom elementType="N" id="a12" x3="1.31313972" y3="1.47631501" z3="-0.00158169"/>
<atom elementType="C" id="a13" x3="1.06414139" y3="2.84802692" z3="-0.04597055"/>
<atom elementType="C" id="a14" x3="-3.59594345" y3="2.28240746" z3="0.03761614"/>
<atom elementType="C" id="a15" x3="-2.68647739" y3="3.3051393" z3="-0.0221123"/>
<atom elementType="C" id="a16" x3="-1.38905975" y3="2.70431824" z3="-0.03929458"/>
<atom elementType="N" id="a17" x3="-1.47638316" y3="1.31290375" z3="0.00078309"/>
<atom elementType="C" id="a18" x3="-2.84813341" y3="1.06380778" z3="0.04496218"/>
<atom elementType="C" id="a19" x3="3.59609272" y3="-2.28261166" z3="0.0385658"/>
<atom elementType="C" id="a20" x3="2.68673174" y3="-3.30553419" z3="-0.02123063"/>
<atom elementType="C" id="a21" x3="0.20127947" y3="-3.43346732" z3="-0.06632646"/>
<atom elementType="C" id="a22" x3="-0.20106151" y3="3.43322682" z3="-0.06698803"/>
<atom elementType="C" id="a23" x3="-3.4332631" y3="-0.20138952" z3="0.06580875"/>
<atom elementType="C" id="a24" x3="3.433371" y3="0.20103205" z3="0.06664809"/>
<atom elementType="H" id="a25" x3="-2.35131874" y3="-4.68403157" z3="-0.06563594"/>
<atom elementType="H" id="a26" x3="-4.37784723" y3="-2.88102698" z3="0.04405237"/>
<atom elementType="H" id="a27" x3="2.35044299" y3="4.68361548" z3="-0.06632945"/>
<atom elementType="H" id="a28" x3="4.37811699" y3="2.88033334" z3="0.04427863"/>
<atom elementType="H" id="a29" x3="-4.68381306" y3="2.35001925" z3="0.06539548"/>
<atom elementType="H" id="a30" x3="-2.88056281" y3="4.37779976" z3="-0.04478025"/>
<atom elementType="H" id="a31" x3="4.6838832" y3="-2.35164175" z3="0.06669154"/>
<atom elementType="H" id="a32" x3="2.88090769" y3="-4.37815525" z3="-0.043591"/>
<atom elementType="C" id="a33" x3="-0.28837635" y3="4.91644694" z3="-0.13421156"/>
<atom elementType="C" id="a34" x3="-0.35485843" y3="5.55646699" z3="-1.38254872"/>
<atom elementType="C" id="a35" x3="-0.30737228" y3="5.74549736" z3="0.99978728"/>
<atom elementType="C" id="a36" x3="-0.43580552" y3="6.94220411" z3="-1.5006021"/>
<atom elementType="C" id="a37" x3="-0.38700456" y3="7.13665927" z3="0.90270002"/>
<atom elementType="C" id="a38" x3="-0.45152289" y3="7.73499812" z3="-0.35381155"/>
<atom elementType="H" id="a39" x3="-0.34131965" y3="4.93274249" z3="-2.28117826"/>
<atom elementType="H" id="a40" x3="-0.48561448" y3="7.40275621" z3="-2.49008095"/>
<atom elementType="H" id="a41" x3="-0.39850867" y3="7.7486318" z3="1.80682991"/>
<atom elementType="H" id="a42" x3="-0.51389325" y3="8.82311451" z3="-0.43002605"/>
<atom elementType="C" id="a43" x3="4.91654288" y3="0.28852169" z3="0.13389003"/>
<atom elementType="C" id="a44" x3="5.55552335" y3="0.35716217" z3="1.38287175"/>
<atom elementType="C" id="a45" x3="5.74640227" y3="0.3059097" z3="-0.99919708"/>
<atom elementType="C" id="a46" x3="6.9411114" y3="0.43865838" z3="1.50166001"/>
<atom elementType="C" id="a47" x3="7.13753267" y3="0.38622369" z3="-0.90148186"/>
<atom elementType="C" id="a48" x3="7.7348706" y3="0.4523296" z3="0.35541536"/>
<atom elementType="H" id="a49" x3="4.93066784" y3="0.34512936" z3="2.28070747"/>
<atom elementType="H" id="a50" x3="7.40102259" y3="0.49056757" z3="2.49135129"/>
<atom elementType="H" id="a51" x3="7.74997012" y3="0.39716298" z3="-1.80529156"/>
<atom elementType="H" id="a52" x3="8.82291549" y3="0.51495545" z3="0.43243084"/>
<atom elementType="C" id="a53" x3="0.28864502" y3="-4.91672481" z3="-0.13232599"/>
<atom elementType="C" id="a54" x3="0.30554944" y3="-5.74493071" z3="1.00237679"/>
<atom elementType="C" id="a55" x3="0.3575568" y3="-5.55778428" z3="-1.38002903"/>
<atom elementType="C" id="a56" x3="0.38565086" y3="-7.13606283" z3="0.90665017"/>
<atom elementType="C" id="a57" x3="0.43896817" y3="-6.94362474" z3="-1.49689714"/>
<atom elementType="C" id="a58" x3="0.45214793" y3="-7.73542044" z3="-0.34948033"/>
<atom elementType="H" id="a59" x3="0.34591814" y3="-4.93492256" z3="-2.27928938"/>
<atom elementType="H" id="a60" x3="0.39612785" y3="-7.74781957" z3="1.81091636"/>
<atom elementType="H" id="a61" x3="0.4911682" y3="-7.40501951" z3="-2.485863"/>
<atom elementType="H" id="a62" x3="0.51460889" y3="-8.82368452" z3="-0.42358163"/>
<atom elementType="C" id="a63" x3="-4.91649542" y3="-0.28879215" z3="0.13227479"/>
<atom elementType="C" id="a64" x3="-5.74502391" y3="-0.30667303" z3="-1.00214191"/>
<atom elementType="C" id="a65" x3="-5.55724113" y3="-0.35647044" z3="1.3802447"/>
<atom elementType="C" id="a66" x3="-7.13616279" y3="-0.38659128" z3="-0.90594058"/>
<atom elementType="C" id="a67" x3="-6.9431112" y3="-0.43685005" z3="1.4976256"/>
<atom elementType="C" id="a68" x3="-7.73518898" y3="-0.45259027" z3="0.35039922"/>
<atom elementType="H" id="a69" x3="-4.9340987" y3="-0.34374088" z3="2.27929888"/>
<atom elementType="H" id="a70" x3="-7.74820541" y3="-0.39728961" z3="-1.81001511"/>
<atom elementType="H" id="a71" x3="-7.40430336" y3="-0.48741492" z3="2.48677291"/>
<atom elementType="H" id="a72" x3="-8.82341174" y3="-0.51524724" z3="0.42488271"/>
<atom elementType="Br" id="a73" x3="4.98267621" y3="0.21927786" z3="-2.74517969"/>
<atom elementType="Br" id="a74" x3="0.21809256" y3="-4.9787499" z3="2.74694783"/>
<atom elementType="Br" id="a75" x3="-4.97936881" y3="-0.22039316" z3="-2.7470025"/>
<atom elementType="Br" id="a76" x3="-0.22266415" y3="4.98086989" z3="2.74509766"/>
<atom elementType="Fe" id="a77" x3="0.000109" y3="-0.00011815" z3="-0.0003871"/>
</atomArray>
<bondArray/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">959.9585999999999</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/44C.4Br.Fe.4N.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;22;23;24;33;34;35;36;37;38;43;44;45;46;47;48;53;54;55;56;57;58;63;64;65;66;67;68;73;74;75;76;77;2;7;12;17;25;26;27;28;29;30;31;32;39;40;41;42;49;50;51;52;59;60;61;62;69;70;71;72/rA:77nC0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0C0C0H0H0H0H0Br0Br0Br0Br0Fe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3893,-2.7046,-.0389;1.4766,-1.3132,.0011;2.8484,-1.0642,.0454;-2.2823,-3.5962,-.0381;-3.3052,-2.6869,.0214;-2.7044,-1.3895,.0383;-1.3129,-1.4766,-.0016;-1.0639,-2.8485,-.0455;2.2828,3.5958,-.0385;3.3055,2.6863,.0214;2.7046,1.3889,.0387;1.3131,1.4763,-.0016;1.0641,2.848,-.046;-3.5959,2.2824,.0376;-2.6865,3.3051,-.0221;-1.3891,2.7043,-.0393;-1.4764,1.3129,.0008;-2.8481,1.0638,.045;3.5961,-2.2826,.0386;2.6867,-3.3055,-.0212;.2013,-3.4335,-.0663;-.2011,3.4332,-.067;-3.4333,-.2014,.0658;3.4334,.201,.0666;-2.3513,-4.684,-.0656;-4.3778,-2.881,.0441;2.3504,4.6836,-.0663;4.3781,2.8803,.0443;-4.6838,2.35,.0654;-2.8806,4.3778,-.0448;4.6839,-2.3516,.0667;2.8809,-4.3782,-.0436;-.2884,4.9164,-.1342;-.3549,5.5565,-1.3825;-.3074,5.7455,.9998;-.4358,6.9422,-1.5006;-.387,7.1367,.9027;-.4515,7.735,-.3538;-.3413,4.9327,-2.2812;-.4856,7.4028,-2.4901;-.3985,7.7486,1.8068;-.5139,8.8231,-.43;4.9165,.2885,.1339;5.5555,.3572,1.3829;5.7464,.3059,-.9992;6.9411,.4387,1.5017;7.1375,.3862,-.9015;7.7349,.4523,.3554;4.9307,.3451,2.2807;7.401,.4906,2.4914;7.75,.3972,-1.8053;8.8229,.515,.4324;.2886,-4.9167,-.1323;.3055,-5.7449,1.0024;.3576,-5.5578,-1.38;.3857,-7.1361,.9067;.439,-6.9436,-1.4969;.4521,-7.7354,-.3495;.3459,-4.9349,-2.2793;.3961,-7.7478,1.8109;.4912,-7.405,-2.4859;.5146,-8.8237,-.4236;-4.9165,-.2888,.1323;-5.745,-.3067,-1.0021;-5.5572,-.3565,1.3802;-7.1362,-.3866,-.9059;-6.9431,-.4369,1.4976;-7.7352,-.4526,.3504;-4.9341,-.3437,2.2793;-7.7482,-.3973,-1.81;-7.4043,-.4874,2.4868;-8.8234,-.5152,.4249;4.9827,.2193,-2.7452;.2181,-4.9787,2.7469;-4.9794,-.2204,-2.747;-.2227,4.9809,2.7451;.0001,-.0001,-.0004;</scalar>
</formula>
</molecule>
</module>
</module>
</module>
</module>
