File: AtropManyChirals.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="O" x2="2.633824935249589" y2="0.9717135641521274" lonePair="2"/><atom id="a2" elementType="C" x2="2.1089649469058003" y2="-0.47608545250583356"/><atom id="a3" elementType="C" x2="3.191693952897853" y2="-0.9217894601294392"/><atom id="a4" elementType="C" x2="3.314205076585108" y2="-2.271054060953147"/><atom id="a5" elementType="N" x2="2.2071709146872727" y2="-3.051939306439604" lonePair="1"/><atom id="a6" elementType="C" x2="0.9772971810494017" y2="-2.483559951102353"/><atom id="a7" elementType="N" x2="0.8546218333357564" y2="-1.1342953502786453" lonePair="1"/><atom id="a8" elementType="C" x2="-0.5118862902589456" y2="-0.5634526345455382"/><atom id="a9" elementType="C" x2="-1.4139688672215338" y2="-1.6561993061474065"/><atom id="a10" elementType="C" x2="-0.8232550442951858" y2="0.8876308626402313"/><atom id="a11" elementType="C" x2="-0.8076537617880957" y2="2.3626910676790027"/><atom id="a12" elementType="C" x2="-0.12858741266370047" y2="3.615884613064313"/><atom id="a13" elementType="Br" x2="-1.8000595532654164" y2="3.3498416903118295" lonePair="3"/><atom id="a14" elementType="C" x2="0.5496578163287427" y2="1.2086888342335065"/><atom id="a15" elementType="F" x2="1.0367462786027344" y2="-0.07160167550622402" lonePair="3"/><atom id="a16" elementType="C" x2="1.8360246150449189" y2="1.7713203486470925"/><atom id="a17" elementType="C" x2="-2.2574234667627415" y2="0.6603448101158871"/><atom id="a18" elementType="Cl" x2="-3.314205076585108" y2="1.5982282248315876" lonePair="3"/><atom id="a19" elementType="C" x2="-3.1739577580476874" y2="-0.4282962608262207"/><atom id="a20" elementType="O" x2="0.09771329570230113" y2="-3.615884613064313" lonePair="2"/></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="2"/><bond id="b4" atomRefs2="a4 a5" order="1"/><bond id="b5" atomRefs2="a5 a6" order="1"/><bond id="b6" atomRefs2="a7 a6" order="1"/><bond id="b7" atomRefs2="a7 a2" order="1"><bondStereo>W</bondStereo></bond><bond id="b8" atomRefs2="a7 a8" order="1"/><bond id="b9" atomRefs2="a8 a9" order="2"/><bond id="b10" atomRefs2="a10 a8" order="1"/><bond id="b11" atomRefs2="a10 a11" order="1"/><bond id="b12" atomRefs2="a11 a12" order="1"/><bond id="b13" atomRefs2="a11 a13" order="1"><bondStereo>W</bondStereo></bond><bond id="b14" atomRefs2="a10 a14" order="1"><bondStereo>W</bondStereo></bond><bond id="b15" atomRefs2="a14 a15" order="1"><bondStereo>H</bondStereo></bond><bond id="b16" atomRefs2="a14 a16" order="1"/><bond id="b17" atomRefs2="a10 a17" order="1"/><bond id="b18" atomRefs2="a17 a18" order="1"><bondStereo>W</bondStereo></bond><bond id="b19" atomRefs2="a17 a19" order="1"/><bond id="b20" atomRefs2="a6 a20" order="2"/></bondArray></molecule></MChemicalStruct><MElectronContainer occupation="0 0" radical="0" id="o1"><MElectron atomRefs="m1.a1" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a1" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o2"><MElectron atomRefs="m1.a1" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a1" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o3"><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="o4"><MElectron atomRefs="m1.a7" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a7" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o5"><MElectron atomRefs="m1.a13" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a13" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o6"><MElectron atomRefs="m1.a13" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a13" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o7"><MElectron atomRefs="m1.a13" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a13" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o8"><MElectron atomRefs="m1.a15" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a15" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o9"><MElectron atomRefs="m1.a15" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a15" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o10"><MElectron atomRefs="m1.a15" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a15" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o11"><MElectron atomRefs="m1.a18" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a18" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o12"><MElectron atomRefs="m1.a18" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a18" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o13"><MElectron atomRefs="m1.a18" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a18" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o14"><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="o15"><MElectron atomRefs="m1.a20" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a20" difLoc="0.0 0.0 0.0"/></MElectronContainer></MDocument></cml>