File: MultipleSgroupParentInMiddleOfAtomBlock.mrv

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rdkit 202503.1-5
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<cml xmlns="http://www.chemaxon.com" version="ChemAxon file format v20.20.0, generated by vunknown" 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" absStereo="true">
                <atomArray>
                    <atom id="a1" elementType="C" x2="-5.334466623990933" y2="-0.38490666358741343"/>
                    <atom id="a2" elementType="C" x2="-4.00091996799264" y2="0.3850933302525874"/>
                    <atom id="a3" elementType="C" x2="-2.667186645329174" y2="-0.38490666358741343"/>
                    <atom id="a4" elementType="C" x2="-1.3336399893308801" y2="0.3850933302525874" sgroupRef="sg1"/>
                    <atom id="a5" elementType="O" x2="-0.0000933333325878749" y2="-0.38490666358741343" lonePair="2" sgroupRef="sg1"/>
                    <atom id="a6" elementType="C" x2="1.3336399893308801" y2="0.3850933302525874" sgroupRef="sg1"/>
                    <atom id="a7" elementType="C" x2="2.6671866453291706" y2="-0.38490666358741343"/>
                    <atom id="a8" elementType="C" x2="4.000733301327468" y2="0.3850933302525874"/>
                    <atom id="a9" elementType="C" x2="5.334466623990934" y2="-0.38490666358741343"/>
                    <atom id="a10" elementType="O" x2="4.000733301327468" y2="1.9249066512674142" lonePair="2"/>
                    <atom id="a11" elementType="N" x2="-2.667186645329174" y2="-1.9249066512674133" lonePair="1"/>
                </atomArray>
                <bondArray>
                    <bond id="b1" atomRefs2="a4 a5" order="1"/>
                    <bond id="b2" atomRefs2="a5 a6" order="1"/>
                    <bond id="b3" atomRefs2="a1 a2" order="1"/>
                    <bond id="b4" atomRefs2="a2 a3" order="1"/>
                    <bond id="b5" atomRefs2="a3 a11" order="1"/>
                    <bond id="b6" atomRefs2="a7 a8" order="1"/>
                    <bond id="b7" atomRefs2="a8 a9" order="1"/>
                    <bond id="b8" atomRefs2="a8 a10" order="2"/>
                    <bond id="b9" atomRefs2="a7 a6" order="1"/>
                    <bond id="b10" atomRefs2="a3 a4" order="1"/>
                </bondArray>
                <molecule molID="m2" id="sg1" role="MultipleSgroup" atomRefs="a4 a5 a6" title="5"/></molecule>
        </MChemicalStruct>
        <MElectronContainer occupation="0 0" radical="0" id="o1">
            <MElectron atomRefs="m1.a5" difLoc="0.0 0.0 0.0"/>
            <MElectron atomRefs="m1.a5" difLoc="0.0 0.0 0.0"/>
        </MElectronContainer>
        <MElectronContainer occupation="0 0" radical="0" id="o2">
            <MElectron atomRefs="m1.a5" difLoc="0.0 0.0 0.0"/>
            <MElectron atomRefs="m1.a5" difLoc="0.0 0.0 0.0"/>
        </MElectronContainer>
        <MElectronContainer occupation="0 0" radical="0" id="o3">
            <MElectron atomRefs="m1.a10" difLoc="0.0 0.0 0.0"/>
            <MElectron atomRefs="m1.a10" difLoc="0.0 0.0 0.0"/>
        </MElectronContainer>
        <MElectronContainer occupation="0 0" radical="0" id="o4">
            <MElectron atomRefs="m1.a10" difLoc="0.0 0.0 0.0"/>
            <MElectron atomRefs="m1.a10" difLoc="0.0 0.0 0.0"/>
        </MElectronContainer>
        <MElectronContainer occupation="0 0" radical="0" id="o5">
            <MElectron atomRefs="m1.a11" difLoc="0.0 0.0 0.0"/>
            <MElectron atomRefs="m1.a11" difLoc="0.0 0.0 0.0"/>
        </MElectronContainer>
    </MDocument>
</cml>