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/html/7/5/8/758fcbab-c641-428c-9bb2-81f0f5a73586/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\7\5\8\758fcbab-c641-428c-9bb2-81f0f5a73586\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">2-Methyl-3-(3-methylphenyl)acrylic acid</name><atomArray><atom id="a1" elementType="C"><label value="1" dictRef="cmlDict:locant"/><label value="C" dictRef="cmlDict:locant"/></atom><atom id="a15" elementType="H"/><atom id="a16" elementType="H"/><atom id="a17" elementType="H"/><atom id="a2" elementType="C"><label value="1" dictRef="cmlDict:locant"/><label value="C" dictRef="cmlDict:locant"/></atom><atom id="a18" elementType="H"/><atom id="a19" elementType="H"/><atom id="a20" elementType="H"/><atom id="a3" elementType="C" hydrogenCount="0"><label value="1" dictRef="cmlDict:locant"/></atom><atom id="a4" elementType="C"><label value="2" dictRef="cmlDict:locant"/></atom><atom id="a5" elementType="C" hydrogenCount="0"><label value="3" dictRef="cmlDict:locant"/></atom><atom id="a6" elementType="C"><label value="4" dictRef="cmlDict:locant"/></atom><atom id="a7" elementType="C"><label value="5" dictRef="cmlDict:locant"/></atom><atom id="a8" elementType="C"><label value="6" dictRef="cmlDict:locant"/></atom><atom id="a21" elementType="H"/><atom id="a22" elementType="H"/><atom id="a23" elementType="H"/><atom id="a24" elementType="H"/><atom id="a9" elementType="C" hydrogenCount="0"><label value="1" dictRef="cmlDict:locant"/></atom><atom id="a10" elementType="C" hydrogenCount="0"><label value="2" dictRef="cmlDict:locant"/></atom><atom id="a11" elementType="C"><label value="3" dictRef="cmlDict:locant"/></atom><atom id="a13" elementType="O" hydrogenCount="0"><label value="O'" dictRef="cmlDict:locant"/></atom><atom id="a14" elementType="O"><label value="O" dictRef="cmlDict:locant"/></atom><atom id="a25" elementType="H"/><atom id="a26" elementType="H"/></atomArray><bondArray><bond id="a1_a15" atomRefs2="a1 a15" order="S"/><bond id="a1_a16" atomRefs2="a1 a16" order="S"/><bond id="a1_a17" atomRefs2="a1 a17" order="S"/><bond id="a2_a18" atomRefs2="a2 a18" order="S"/><bond id="a2_a19" atomRefs2="a2 a19" order="S"/><bond id="a2_a20" atomRefs2="a2 a20" order="S"/><bond id="a3_a4" atomRefs2="a3 a4" order="D"/><bond id="a4_a5" atomRefs2="a4 a5" order="S"/><bond id="a5_a6" atomRefs2="a5 a6" order="D"/><bond id="a6_a7" atomRefs2="a6 a7" order="S"/><bond id="a7_a8" atomRefs2="a7 a8" order="D"/><bond id="a8_a3" atomRefs2="a8 a3" order="S"/><bond id="a4_a21" atomRefs2="a4 a21" order="S"/><bond id="a6_a22" atomRefs2="a6 a22" order="S"/><bond id="a7_a23" atomRefs2="a7 a23" order="S"/><bond id="a8_a24" atomRefs2="a8 a24" order="S"/><bond id="a2_a5" atomRefs2="a2 a5" order="S"/><bond id="a9_a10" atomRefs2="a9 a10" order="S"/><bond id="a10_a11" atomRefs2="a10 a11" order="D"/><bond id="a9_a13" atomRefs2="a9 a13" order="D"/><bond id="a9_a14" atomRefs2="a9 a14" order="S"/><bond id="a11_a25" atomRefs2="a11 a25" order="S"/><bond id="a14_a26" atomRefs2="a14 a26" order="S"/><bond id="a3_a11" atomRefs2="a3 a11" order="S"/><bond id="a1_a10" atomRefs2="a1 a10" order="S"/></bondArray></molecule></cml>