File: NewChiralTest.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="-4.62" y2="1.1102230246251565e-16"/><atom id="a2" elementType="C" x2="-3.0800000000000005" y2="1.1102230246251565e-16"/><atom id="a3" elementType="C" x2="-2.3100000000000005" y2="1.3336999999999999"/><atom id="a4" elementType="C" x2="-0.7700000000000005" y2="1.3336999999999999"/><atom id="a5" elementType="C" x2="-4.440892098500626e-16" y2="1.1102230246251565e-16"/><atom id="a6" elementType="C" x2="0.7699999999999996" y2="1.3336999999999999"/><atom id="a7" elementType="C" x2="2.3099999999999996" y2="1.3336999999999999"/><atom id="a8" elementType="C" x2="3.08" y2="1.1102230246251565e-16"/><atom id="a9" elementType="Cl" x2="4.619999999999999" y2="1.1102230246251565e-16" lonePair="3"/><atom id="a10" elementType="C" x2="2.3099999999999996" y2="-1.3336999999999999"/><atom id="a11" elementType="C" x2="0.7699999999999996" y2="-1.3336999999999999"/><atom id="a12" elementType="C" x2="-0.7700000000000005" y2="-1.3336999999999999"/><atom id="a13" elementType="C" x2="-2.3100000000000005" y2="-1.3336999999999999"/></atomArray><bondArray><bond id="b1" atomRefs2="a2 a1" order="1"><bondStereo>W</bondStereo></bond><bond id="b2" atomRefs2="a2 a3" order="1"/><bond id="b3" atomRefs2="a3 a4" order="1"/><bond id="b4" atomRefs2="a5 a4" order="1"><bondStereo>H</bondStereo></bond><bond id="b5" atomRefs2="a5 a6" order="1"/><bond id="b6" atomRefs2="a6 a7" order="1"/><bond id="b7" atomRefs2="a8 a7" order="1"/><bond id="b8" atomRefs2="a8 a9" order="1"><bondStereo>H</bondStereo></bond><bond id="b9" atomRefs2="a8 a10" order="1"/><bond id="b10" atomRefs2="a10 a11" order="1"/><bond id="b11" atomRefs2="a5 a11" order="1"/><bond id="b12" atomRefs2="a5 a12" order="1"/><bond id="b13" atomRefs2="a12 a13" order="1"/><bond id="b14" atomRefs2="a2 a13" order="1"/></bondArray></molecule></MChemicalStruct><MElectronContainer occupation="0 0" radical="0" id="o1"><MElectron atomRefs="m1.a9" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a9" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o2"><MElectron atomRefs="m1.a9" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a9" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o3"><MElectron atomRefs="m1.a9" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a9" difLoc="0.0 0.0 0.0"/></MElectronContainer></MDocument></cml>