File: DoubleBond.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="-0.988999999999999" y2="0.8186333333333333"/><atom id="a2" elementType="C" x2="0.34469999999999956" y2="1.5886333333333333"/><atom id="a3" elementType="C" x2="0.34469999999999956" y2="3.128633333333333"/><atom id="a4" elementType="C" x2="1.6784" y2="3.8986333333333336"/><atom id="a5" elementType="C" x2="0.6884999999999994" y2="5.078333333333333"/><atom id="a6" elementType="C" x2="2.6683000000000003" y2="5.078333333333333"/><atom id="a7" elementType="C" x2="3.658200000000001" y2="6.258033333333333"/><atom id="a8" elementType="C" x2="1.4886" y2="6.068233333333333"/><atom id="a9" elementType="C" x2="3.8480000000000008" y2="4.088433333333334"/><atom id="a10" elementType="C" x2="3.0121" y2="3.128633333333333"/><atom id="a11" elementType="C" x2="3.0121" y2="1.5886333333333333"/><atom id="a12" elementType="C" x2="4.3458000000000006" y2="0.8186333333333333"/><atom id="a13" elementType="C" x2="1.6784" y2="0.8186333333333333"/><atom id="a14" elementType="C" x2="1.6784" y2="-0.7213666666666667"/><atom id="a15" elementType="C" x2="0.34469999999999956" y2="-1.4913666666666667"/><atom id="a16" elementType="C" x2="0.34469999999999956" y2="-3.031366666666667"/><atom id="a17" elementType="C" x2="-0.988999999999999" y2="-3.8013666666666666"/><atom id="a18" elementType="C" x2="-0.988999999999999" y2="-5.341366666666667"/><atom id="a19" elementType="C" x2="-2.3225999999999996" y2="-3.031366666666667"/><atom id="a20" elementType="Cl" x2="-3.6563" y2="-3.8013666666666666" lonePair="3"/><atom id="a21" elementType="C" x2="-2.3225999999999996" y2="-1.4913666666666667"/><atom id="a22" elementType="C" x2="-3.6563" y2="-0.7213666666666667"/><atom id="a23" elementType="C" x2="-3.6563" y2="0.8186333333333333"/><atom id="a24" elementType="C" x2="-4.989999999999999" y2="1.5886333333333333"/><atom id="a25" elementType="Cl" x2="-2.3225999999999996" y2="1.5886333333333333" lonePair="3"/><atom id="a26" elementType="C" x2="-0.988999999999999" y2="-0.7213666666666667"/></atomArray><bondArray><bond id="b1" atomRefs2="a1 a2" order="2"/><bond id="b2" atomRefs2="a2 a3" order="1"/><bond id="b3" atomRefs2="a3 a4" order="1"/><bond id="b4" atomRefs2="a4 a5" order="1"/><bond id="b5" atomRefs2="a4 a6" order="1"/><bond id="b6" atomRefs2="a6 a7" order="1"/><bond id="b7" atomRefs2="a6 a8" order="1"/><bond id="b8" atomRefs2="a6 a9" order="1"/><bond id="b9" atomRefs2="a4 a10" order="1"/><bond id="b10" atomRefs2="a10 a11" order="1"/><bond id="b11" atomRefs2="a11 a12" order="2"/><bond id="b12" atomRefs2="a11 a13" order="1"/><bond id="b13" atomRefs2="a2 a13" order="1"/><bond id="b14" atomRefs2="a13 a14" order="2"/><bond id="b15" atomRefs2="a14 a15" order="1"/><bond id="b16" atomRefs2="a15 a16" order="2"/><bond id="b17" atomRefs2="a16 a17" order="1"/><bond id="b18" atomRefs2="a17 a18" order="1"/><bond id="b19" atomRefs2="a17 a19" order="2"/><bond id="b20" atomRefs2="a19 a20" order="1"/><bond id="b21" atomRefs2="a19 a21" order="1"/><bond id="b22" atomRefs2="a21 a22" order="1"/><bond id="b23" atomRefs2="a23 a22" order="1"/><bond id="b24" atomRefs2="a23 a24" order="1"/><bond id="b25" atomRefs2="a23 a25" order="1"><bondStereo>H</bondStereo></bond><bond id="b26" atomRefs2="a21 a26" order="2"/><bond id="b27" atomRefs2="a15 a26" order="1"/></bondArray></molecule></MChemicalStruct><MElectronContainer occupation="0 0" radical="0" id="o1"><MElectron atomRefs="m1.a20" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a20" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o2"><MElectron atomRefs="m1.a20" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a20" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o3"><MElectron atomRefs="m1.a20" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a20" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o4"><MElectron atomRefs="m1.a25" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a25" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o5"><MElectron atomRefs="m1.a25" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a25" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o6"><MElectron atomRefs="m1.a25" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a25" difLoc="0.0 0.0 0.0"/></MElectronContainer></MDocument></cml>