File: DataSgroupMissingUnitsDisplayed.mrv

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rdkit 202503.1-5
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file content (46 lines) | stat: -rw-r--r-- 2,988 bytes parent folder | download | duplicates (2)
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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="6.3148" y2="-10.5751"/>
                    <atom id="a2" elementType="C" x2="8.9102" y2="-10.5744"/>
                    <atom id="a3" elementType="C" x2="7.615" y2="-9.825"/>
                    <atom id="a4" elementType="C" x2="8.9102" y2="-12.0758"/>
                    <atom id="a5" elementType="C" x2="6.3148" y2="-12.0825"/>
                    <atom id="a6" elementType="C" x2="7.6182" y2="-12.825"/>
                    <atom id="a7" elementType="C" x2="10.2093" y2="-9.8244" sgroupRef="sg1"/>
                    <atom id="a8" elementType="C" x2="11.5049" y2="-7.5754"/>
                    <atom id="a9" elementType="C" x2="10.2087" y2="-8.3233"/>
                    <atom id="a10" elementType="C" x2="12.8056" y2="-8.3253"/>
                    <atom id="a11" elementType="C" x2="11.5152" y2="-10.5772" sgroupRef="sg1"/>
                    <atom id="a12" elementType="C" x2="12.8095" y2="-9.8188"/>
                    <atom id="a13" elementType="S" x2="7.6159" y2="-8.325"/>
                    <atom id="a14" elementType="P" x2="10.21" y2="-12.8245"/>
                    <atom id="a15" elementType="I" x2="11.5206" y2="-12.0772"/>
                </atomArray>
                <bondArray>
                    <bond id="b1" atomRefs2="a3 a1" order="2"/>
                    <bond id="b2" atomRefs2="a4 a2" order="2"/>
                    <bond id="b3" atomRefs2="a1 a5" order="1"/>
                    <bond id="b4" atomRefs2="a2 a3" order="1">
                        <bondStereo>H</bondStereo>
                    </bond>
                    <bond id="b5" atomRefs2="a5 a6" order="2"/>
                    <bond id="b6" atomRefs2="a6 a4" order="1"/>
                    <bond id="b7" atomRefs2="a2 a7" order="1"/>
                    <bond id="b8" atomRefs2="a9 a7" order="2"/>
                    <bond id="b9" atomRefs2="a10 a8" order="2"/>
                    <bond id="b10" atomRefs2="a7 a11" order="1"/>
                    <bond id="b11" atomRefs2="a8 a9" order="1"/>
                    <bond id="b12" atomRefs2="a11 a12" order="2"/>
                    <bond id="b13" atomRefs2="a12 a10" order="1"/>
                    <bond id="b14" atomRefs2="a3 a13" order="1"/>
                    <bond id="b15" atomRefs2="a4 a14" order="1"/>
                    <bond id="b16" atomRefs2="a11 a15" order="1"/>
                </bondArray>
                <molecule molID="m2" id="sg1" role="DataSgroup" atomRefs="a7 a11" context="" fieldName="atropisomer" placement="" unitsDisplayed="" fieldData="test" x="0" y="0"/></molecule>
        </MChemicalStruct>
    </MDocument>
</cml>