File: marvin06.mrv

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rdkit 202503.1-4
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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/marvin/schema/mrvSchema_20_20_0.xsd" version="ChemAxon file format v20.20.0, generated by v21.18.0">
<MDocument><MChemicalStruct><molecule molID="m1"><atomArray atomID="a1 a2 a3 a4 a5 a6 a7 a8 a9 a10 a11" elementType="C C C C C C Cl C N O O" formalCharge="0 0 0 0 0 0 0 0 1 0 -1" lonePair="0 0 0 0 0 0 3 0 0 2 3" x2="-4.3334 -5.6670 -5.6670 -4.3334 -2.9997 -2.9997 -4.3335 -1.6660 -7.0007 -1.6660 -0.3323" y2="1.7693 0.9993 -0.5409 -1.3109 -0.5409 0.9993 3.3093 -1.3109 -1.3109 -2.8509 -0.5410"></atomArray><bondArray><bond id="b1" atomRefs2="a1 a2" order="2"></bond><bond id="b2" atomRefs2="a2 a3" order="1"></bond><bond id="b3" atomRefs2="a3 a4" order="2"></bond><bond id="b4" atomRefs2="a4 a5" order="1"></bond><bond id="b5" atomRefs2="a5 a6" order="2"></bond><bond id="b6" atomRefs2="a6 a1" order="1"></bond><bond id="b7" atomRefs2="a5 a8" order="1"></bond><bond id="b8" atomRefs2="a1 a7" order="1"></bond><bond id="b9" atomRefs2="a3 a9" order="1"></bond><bond id="b10" atomRefs2="a8 a10" order="2"></bond><bond id="b11" atomRefs2="a8 a11" order="1"></bond></bondArray></molecule></MChemicalStruct><MElectronContainer id="o2" occupation="0 0" radical="0"><MElectron atomRefs="m1.a7" difLoc="0.0 0.0 0.0"></MElectron><MElectron atomRefs="m1.a7" difLoc="0.0 0.0 0.0"></MElectron></MElectronContainer><MElectronContainer id="o3" occupation="0 0" radical="0"><MElectron atomRefs="m1.a10" difLoc="0.0 0.0 0.0"></MElectron><MElectron atomRefs="m1.a10" difLoc="0.0 0.0 0.0"></MElectron></MElectronContainer><MElectronContainer id="o4" occupation="0 0" radical="0"><MElectron atomRefs="m1.a11" difLoc="0.0 0.0 0.0"></MElectron><MElectron atomRefs="m1.a11" difLoc="0.0 0.0 0.0"></MElectron></MElectronContainer></MDocument>
</cml>