File: modification_sgroup.mrv.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="P" x2="21.9795" y2="-8.5811"/><atom id="a2" elementType="O" x2="21.8333" y2="-7.048"/><atom id="a3" elementType="O" x2="23.3803" y2="-9.2209"/><atom id="a4" elementType="O" x2="20.5366" y2="-9.1191"/><atom id="a5" elementType="O" x2="20.999" y2="-9.7686"/><atom id="a6" elementType="O" x2="15.741" y2="-7.918" sgroupRef="sg1"/><atom id="a7" elementType="Mo" x2="15.3425" y2="-9.4055" mrvValence="6" sgroupRef="sg1"/><atom id="a8" elementType="O" x2="15.6882" y2="-10.6971" sgroupRef="sg1"/><atom id="a9" elementType="O" x2="13.8549" y2="-9.0069" sgroupRef="sg1"/><atom id="a10" elementType="O" x2="22.2284" y2="-13.2629" sgroupRef="sg2"/></atomArray><bondArray><bond id="b1" atomRefs2="a1 a2" order="1"/><bond id="b2" atomRefs2="a1 a3" order="2"/><bond id="b3" atomRefs2="a1 a4" order="1"/><bond id="b4" atomRefs2="a1 a5" order="1"/><bond id="b5" atomRefs2="a7 a6" order="2"/><bond id="b6" atomRefs2="a7 a8" order="2"/><bond id="b7" atomRefs2="a7 a9" order="2"/></bondArray><molecule molID="m2" id="sg1" role="MultipleSgroup" atomRefs="a6 a7 a8 a9" title="12"/><molecule molID="m3" id="sg2" role="ModificationSgroup" atomRefs="a10" title="mod" connect="ht" correspondence="" bondList=""/></molecule></MChemicalStruct></MDocument></cml>