File: ShortAtropisomerArom.cxsmi.expected.mrv

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rdkit 202503.1-5
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<?xml version="1.0" encoding="utf-8"?>
<cml xmlns="http://www.chemaxon.com" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.chemaxon.com http://www.chemaxon.com/marvin/schema/mrvSchema_20_20_0.xsd"><MDocument><MChemicalStruct><molecule molID="m1"><atomArray><atom id="a1" elementType="C" x2="2.67903" y2="0.414223"/><atom id="a2" elementType="C" x2="1.35094" y2="1.18102"/><atom id="a3" elementType="C" x2="0.0228505" y2="0.41407"/><atom id="a4" elementType="N" x2="0.0228505" y2="-1.11952"/><atom id="a5" elementType="C" x2="1.26445" y2="-2.03017"/><atom id="a6" elementType="C" x2="0.790107" y2="-3.48125"/><atom id="a7" elementType="C" x2="-0.744559" y2="-3.48125"/><atom id="a8" elementType="C" x2="-1.21905" y2="-2.03017"/><atom id="a9" elementType="C" x2="-2.67903" y2="-1.56089"/><atom id="a10" elementType="C" x2="-1.30539" y2="1.18087"/><atom id="a11" elementType="C" x2="-2.63348" y2="0.41407"/><atom id="a12" elementType="C" x2="-1.30539" y2="2.71446"/><atom id="a13" elementType="C" x2="0.0228505" y2="3.48125"/><atom id="a14" elementType="C" x2="1.35094" y2="2.71461"/></atomArray><bondArray><bond id="b1" atomRefs2="a1 a2" order="1"/><bond id="b2" atomRefs2="a2 a3" order="2"/><bond id="b3" atomRefs2="a3 a4" order="1"/><bond id="b4" atomRefs2="a4 a5" order="1"/><bond id="b5" atomRefs2="a5 a6" order="2"/><bond id="b6" atomRefs2="a6 a7" order="1"/><bond id="b7" atomRefs2="a7 a8" order="2"/><bond id="b8" atomRefs2="a8 a9" order="1"/><bond id="b9" atomRefs2="a3 a10" order="1"><bondStereo>W</bondStereo></bond><bond id="b10" atomRefs2="a10 a11" order="1"/><bond id="b11" atomRefs2="a10 a12" order="2"/><bond id="b12" atomRefs2="a12 a13" order="1"/><bond id="b13" atomRefs2="a13 a14" order="2"/><bond id="b14" atomRefs2="a14 a2" order="1"/><bond id="b15" atomRefs2="a8 a4" order="1"/></bondArray></molecule></MChemicalStruct></MDocument></cml>