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/html/5/2/4/5245ff9c-762d-48af-afb1-5eb5902479f1/opsin.xml

https://bitbucket.org/petermr/crystaleyetestdata
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1<?xml version="1.0" encoding="UTF-8"?>
2<cml fileId="C:\Users\pm286\workspace\crystaleyeTestData\html\5\2\4\5245ff9c-762d-48af-afb1-5eb5902479f1\opsin.xml" xmlns="http://www.xml-cml.org/schema" xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"><molecule id="m1" xmlns:cmlDict="http://www.xml-cml.org/dictionary/cml/" xmlns:nameDict="http://www.xml-cml.org/schema/foo"><name dictRef="nameDict:unknown">Methylene bis(dithiobenzoate)</name><atomArray><atom id="a1" elementType="C"><label value="1" dictRef="cmlDict:locant"/><label value="C" dictRef="cmlDict:locant"/></atom><atom id="a22" elementType="H"/><atom id="a23" elementType="H"/><atom id="a3" elementType="C" hydrogenCount="0"><label value="alpha" dictRef="cmlDict:locant"/></atom><atom id="a4" elementType="C" hydrogenCount="0"><label value="1" dictRef="cmlDict:locant"/></atom><atom id="a5" elementType="C"><label value="2" dictRef="cmlDict:locant"/></atom><atom id="a6" elementType="C"><label value="3" dictRef="cmlDict:locant"/></atom><atom id="a7" elementType="C"><label value="4" dictRef="cmlDict:locant"/></atom><atom id="a8" elementType="C"><label value="5" dictRef="cmlDict:locant"/></atom><atom id="a9" elementType="C"><label value="6" dictRef="cmlDict:locant"/></atom><atom id="a11" elementType="S" hydrogenCount="0"><label value="S'" dictRef="cmlDict:locant"/></atom><atom id="a12" elementType="S" hydrogenCount="0"><label value="S" dictRef="cmlDict:locant"/></atom><atom id="a24" elementType="H"/><atom id="a25" elementType="H"/><atom id="a26" elementType="H"/><atom id="a27" elementType="H"/><atom id="a28" elementType="H"/><atom id="a13" elementType="C" hydrogenCount="0"><label value="alpha" dictRef="cmlDict:locant"/></atom><atom id="a14" elementType="C" hydrogenCount="0"><label value="1" dictRef="cmlDict:locant"/></atom><atom id="a15" elementType="C"><label value="2" dictRef="cmlDict:locant"/></atom><atom id="a16" elementType="C"><label value="3" dictRef="cmlDict:locant"/></atom><atom id="a17" elementType="C"><label value="4" dictRef="cmlDict:locant"/></atom><atom id="a18" elementType="C"><label value="5" dictRef="cmlDict:locant"/></atom><atom id="a19" elementType="C"><label value="6" dictRef="cmlDict:locant"/></atom><atom id="a20" elementType="S" hydrogenCount="0"><label value="S'" dictRef="cmlDict:locant"/></atom><atom id="a21" elementType="S" hydrogenCount="0"><label value="S" dictRef="cmlDict:locant"/></atom><atom id="a29" elementType="H"/><atom id="a30" elementType="H"/><atom id="a31" elementType="H"/><atom id="a32" elementType="H"/><atom id="a33" elementType="H"/></atomArray><bondArray><bond id="a1_a22" atomRefs2="a1 a22" order="S"/><bond id="a1_a23" atomRefs2="a1 a23" order="S"/><bond id="a3_a4" atomRefs2="a3 a4" order="S"/><bond id="a4_a5" atomRefs2="a4 a5" order="D"/><bond id="a5_a6" atomRefs2="a5 a6" order="S"/><bond id="a6_a7" atomRefs2="a6 a7" order="D"/><bond id="a7_a8" atomRefs2="a7 a8" order="S"/><bond id="a8_a9" atomRefs2="a8 a9" order="D"/><bond id="a4_a9" atomRefs2="a4 a9" order="S"/><bond id="a3_a11" atomRefs2="a3 a11" order="D"/><bond id="a3_a12" atomRefs2="a3 a12" order="S"/><bond id="a5_a24" atomRefs2="a5 a24" order="S"/><bond id="a6_a25" atomRefs2="a6 a25" order="S"/><bond id="a7_a26" atomRefs2="a7 a26" order="S"/><bond id="a8_a27" atomRefs2="a8 a27" order="S"/><bond id="a9_a28" atomRefs2="a9 a28" order="S"/><bond id="a12_a1" atomRefs2="a12 a1" order="S"/><bond id="a13_a14" atomRefs2="a13 a14" order="S"/><bond id="a14_a15" atomRefs2="a14 a15" order="D"/><bond id="a15_a16" atomRefs2="a15 a16" order="S"/><bond id="a16_a17" atomRefs2="a16 a17" order="D"/><bond id="a17_a18" atomRefs2="a17 a18" order="S"/><bond id="a18_a19" atomRefs2="a18 a19" order="D"/><bond id="a14_a19" atomRefs2="a14 a19" order="S"/><bond id="a13_a20" atomRefs2="a13 a20" order="D"/><bond id="a13_a21" atomRefs2="a13 a21" order="S"/><bond id="a15_a29" atomRefs2="a15 a29" order="S"/><bond id="a16_a30" atomRefs2="a16 a30" order="S"/><bond id="a17_a31" atomRefs2="a17 a31" order="S"/><bond id="a18_a32" atomRefs2="a18 a32" order="S"/><bond id="a19_a33" atomRefs2="a19 a33" order="S"/><bond id="a21_a1" atomRefs2="a21 a1" order="S"/></bondArray></molecule></cml>