File: marvin05.mrv

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rdkit 202503.1-4
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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><reaction><arrow type="DEFAULT" x1="-6.5094641677926335" y1="1.1839663869488983" x2="0.9710015574545503" y2="1.3806418857594651"/><reactantList><molecule molID="m1"><atomArray><atom id="a1" elementType="C" x2="-17.5211" y2="2.8918"/><atom id="a2" elementType="C" x2="-18.8547" y2="2.1218"/><atom id="a3" elementType="C" x2="-18.8547" y2="0.5816"/><atom id="a4" elementType="C" x2="-17.5211" y2="-0.1884"/><atom id="a5" elementType="C" x2="-16.1874" y2="0.5816"/><atom id="a6" elementType="C" x2="-16.1874" y2="2.1218"/></atomArray><bondArray><bond id="b1" atomRefs2="a2 a3" order="1"/><bond id="b2" atomRefs2="a5 a6" order="2"/><bond id="b3" atomRefs2="a3 a4" order="2"/><bond id="b4" atomRefs2="a4 a5" order="1"/><bond id="b5" atomRefs2="a1 a2" order="2"/><bond id="b6" atomRefs2="a6 a1" order="1"/></bondArray></molecule><molecule molID="m2"><atomArray><atom id="a1" elementType="C" x2="-9.4583" y2="1.9358" mrvStereoGroup="and1"/><atom id="a2" elementType="C" x2="-10.7921" y2="1.1658"/><atom id="a3" elementType="C" x2="-10.7921" y2="-0.3744"/><atom id="a4" elementType="C" x2="-9.4583" y2="-1.1442"/><atom id="a5" elementType="C" x2="-8.1246" y2="-0.3744"/><atom id="a6" elementType="C" x2="-8.1246" y2="1.1658"/><atom id="a7" elementType="C" x2="-9.4583" y2="3.4758"/><atom id="a8" elementType="O" x2="-12.1257" y2="-1.1444" lonePair="2"/></atomArray><bondArray><bond id="b1" atomRefs2="a2 a3" order="1"/><bond id="b2" atomRefs2="a3 a4" order="1"/><bond id="b3" atomRefs2="a4 a5" order="1"/><bond id="b4" atomRefs2="a5 a6" order="1"/><bond id="b5" atomRefs2="a3 a8" order="2"/><bond id="b6" atomRefs2="a1 a2" order="1"/><bond id="b7" atomRefs2="a1 a6" order="1"/><bond id="b8" atomRefs2="a1 a7" order="1"><bondStereo>H</bondStereo></bond></bondArray></molecule></reactantList><agentList><molecule molID="m3"><atomArray><atom id="a1" elementType="R" x2="-4.052216666666671" y2="2.3933666666666653" sgroupRef="sg1"/></atomArray><bondArray/><molecule molID="m4" id="sg1" role="SuperatomSgroup" title="THF"><atomArray><atom id="a2" elementType="C" x2="-4.052216666666671" y2="2.3933666666666653"/><atom id="a3" elementType="C" x2="-2.806403343299844" y2="1.488220007241172"/><atom id="a4" elementType="C" x2="-3.282216672826671" y2="0.02344668562602542"/><atom id="a5" elementType="C" x2="-4.822216660506671" y2="0.02344668562602542"/><atom id="a6" elementType="O" x2="-5.2982166566986715" y2="1.488220007241172"/></atomArray><bondArray><bond id="b1" atomRefs2="a2 a3" order="1"/><bond id="b2" atomRefs2="a2 a6" order="1"/><bond id="b3" atomRefs2="a3 a4" order="1"/><bond id="b4" atomRefs2="a4 a5" order="1"/><bond id="b5" atomRefs2="a5 a6" order="1"/></bondArray></molecule></molecule></agentList><productList><molecule molID="m5"><atomArray><atom id="a1" elementType="C" x2="3.7499" y2="2.6026"/><atom id="a2" elementType="C" x2="2.4164" y2="1.8326"/><atom id="a3" elementType="C" x2="2.4164" y2="0.2924"/><atom id="a4" elementType="C" x2="3.7499" y2="-0.4776"/><atom id="a5" elementType="C" x2="5.0836" y2="0.2924"/><atom id="a6" elementType="C" x2="5.0836" y2="1.8326"/><atom id="a7" elementType="C" x2="3.7499" y2="4.1426"/><atom id="a8" elementType="N" x2="5.0835" y2="4.9126" lonePair="1"/><atom id="a9" elementType="C" x2="5.0835" y2="6.4527"/><atom id="a10" elementType="C" x2="3.75" y2="7.2228"/><atom id="a11" elementType="C" x2="2.4162" y2="6.4528"/><atom id="a12" elementType="C" x2="2.4162" y2="4.9126"/></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="2"/><bond id="b6" atomRefs2="a6 a1" order="1"/><bond id="b7" atomRefs2="a9 a10" order="2"/><bond id="b8" atomRefs2="a10 a11" order="1"/><bond id="b9" atomRefs2="a11 a12" order="2"/><bond id="b10" atomRefs2="a12 a7" order="1"/><bond id="b11" atomRefs2="a1 a7" order="1"/><bond id="b12" atomRefs2="a7 a8" order="2"/><bond id="b13" atomRefs2="a8 a9" order="1"/></bondArray></molecule></productList></reaction></MChemicalStruct><MReactionSign toption="NOROT" fontScale="14.0" halign="CENTER" valign="CENTER" autoSize="true" id="o1"><Field name="text"><![CDATA[{D font=SansSerif,size=18,bold}+]]></Field><MPoint x="-13.6877" y="1.2267"/><MPoint x="-13.174366666666666" y="1.2267"/><MPoint x="-13.174366666666666" y="1.7400333333333333"/><MPoint x="-13.6877" y="1.7400333333333333"/></MReactionSign></MDocument></cml>