File: bondArray_node.mrv

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rdkit 202503.1-5
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<cml xmlns="http://www.chemaxon.com" version="ChemAxon file format v18.11.0, 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_18_11_0.xsd"><MDocument><MChemicalStruct><reaction><arrow type="DEFAULT" x1="-1" y1="0.6041666666666666" x2="5.916792167536111" y2="0.6041666666666666"/><reactantList><molecule molID="m1"><atomArray><atom id="a1" elementType="C" x2="-10.16675999999925" y2="2.269259987679253"/><atom id="a2" elementType="C" x2="-11.500306655997544" y2="1.499259993839254"/><atom id="a3" elementType="C" x2="-11.500306655997544" y2="-0.040926660505919976"/><atom id="a4" elementType="C" x2="-10.16675999999925" y2="-0.8109266543459199"/><atom id="a5" elementType="C" x2="-8.833026677335786" y2="-0.040926660505919976"/><atom id="a6" elementType="C" x2="-8.833026677335786" y2="1.499259993839254"/></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"/></bondArray></molecule><molecule molID="m2"><atomArray><atom id="a1" elementType="C" x2="-4.541666666666668" y2="2.24745999052032"/><atom id="a2" elementType="C" x2="-5.787479990033493" y2="1.3421266644296534"/><atom id="a3" elementType="C" x2="-5.311666660506667" y2="-0.12245999052032008"/><atom id="a4" elementType="C" x2="-3.7716666728266675" y2="-0.12245999052032008"/><atom id="a5" elementType="C" x2="-3.2958533432998407" y2="1.3421266644296534"/></atomArray><bondArray><bond id="b1" atomRefs2="a1 a2" order="1"/><bond id="b2" atomRefs2="a1 a5" order="1"/><bond id="b3" atomRefs2="a2 a3" order="1"/><bond id="b4" atomRefs2="a3 a4" order="1"/><bond id="b5" atomRefs2="a4 a5" order="1"/></bondArray></molecule></reactantList><agentList><molecule molID="m3"><atomArray><atom id="a1" elementType="R" x2="-0.39842308880484967" y2="1.3125" sgroupRef="sg1"/></atomArray><bondArray/><molecule molID="m4" id="sg1" role="SuperatomSgroup" title="PdPPh3"><atomArray><atom id="a2" elementType="Pd" x2="-0.39842308880484967" y2="1.3125"/><atom id="a3" elementType="P" x2="-0.39842308880484967" y2="2.852500000000001"/><atom id="a4" elementType="C" x2="-1.7321022888048494" y2="2.0825000000000005"/><atom id="a5" elementType="C" x2="-3.0657814888048502" y2="2.852500000000001"/><atom id="a6" elementType="C" x2="-4.39946068880485" y2="2.0825000000000005"/><atom id="a7" elementType="C" x2="-4.39946068880485" y2="0.5425000000000004"/><atom id="a8" elementType="C" x2="-3.0657814888048502" y2="-0.22750000000000026"/><atom id="a9" elementType="C" x2="-1.7321022888048494" y2="0.5425000000000004"/><atom id="a10" elementType="C" x2="0.9352561111951505" y2="2.0825000000000005"/><atom id="a11" elementType="C" x2="0.9352561111951505" y2="0.5425000000000004"/><atom id="a12" elementType="C" x2="2.2689353111951505" y2="-0.22750000000000026"/><atom id="a13" elementType="C" x2="3.602614511195151" y2="0.5425000000000004"/><atom id="a14" elementType="C" x2="3.602614511195151" y2="2.0825000000000005"/><atom id="a15" elementType="C" x2="2.2689353111951505" y2="2.852500000000001"/><atom id="a16" elementType="C" x2="-0.39842308880484967" y2="4.392500000000001"/><atom id="a17" elementType="C" x2="0.9352561111951505" y2="5.1625000000000005"/><atom id="a18" elementType="C" x2="0.9352561111951505" y2="6.702500000000001"/><atom id="a19" elementType="C" x2="-0.39842308880484967" y2="7.472500000000001"/><atom id="a20" elementType="C" x2="-1.7321022888048494" y2="6.702500000000001"/><atom id="a21" elementType="C" x2="-1.7321022888048494" y2="5.1625000000000005"/></atomArray><bondArray><bond id="b1" atomRefs2="a20 a21" order="2"/><bond id="b2" atomRefs2="a19 a20" order="1"/><bond id="b3" atomRefs2="a18 a19" order="2"/><bond id="b4" atomRefs2="a17 a18" order="1"/><bond id="b5" atomRefs2="a16 a17" order="2"/><bond id="b6" atomRefs2="a16 a21" order="1"/><bond id="b7" atomRefs2="a14 a15" order="2"/><bond id="b8" atomRefs2="a13 a14" order="1"/><bond id="b9" atomRefs2="a12 a13" order="2"/><bond id="b10" atomRefs2="a11 a12" order="1"/><bond id="b11" atomRefs2="a10 a11" order="2"/><bond id="b12" atomRefs2="a10 a15" order="1"/><bond id="b13" atomRefs2="a8 a9" order="2"/><bond id="b14" atomRefs2="a7 a8" order="1"/><bond id="b15" atomRefs2="a6 a7" order="2"/><bond id="b16" atomRefs2="a5 a6" order="1"/><bond id="b17" atomRefs2="a4 a5" order="2"/><bond id="b18" atomRefs2="a4 a9" order="1"/><bond id="b19" atomRefs2="a3 a4" order="1"/><bond id="b20" atomRefs2="a3 a10" order="1"/><bond id="b21" atomRefs2="a3 a16" order="1"/><bond id="b22" atomRefs2="a2 a3" order="1"/></bondArray></molecule></molecule><molecule molID="m5"><atomArray><atom id="a1" elementType="R" x2="0.2682435778618195" y2="-0.08333333333333459" sgroupRef="sg1"/></atomArray><bondArray/><molecule molID="m6" id="sg1" role="SuperatomSgroup" title="NaOH"><atomArray><atom id="a2" elementType="O" x2="0.2682435778618195" y2="-0.08333333333333459" formalCharge="-1"/><atom id="a3" elementType="Na" x2="-1.2717564098181806" y2="-0.08333333333333459" formalCharge="1"/></atomArray></molecule></molecule><molecule molID="m7"><atomArray><atom id="a1" elementType="R" x2="3.2265769111951506" y2="-0.3333333333333333" sgroupRef="sg1"/></atomArray><bondArray/><molecule molID="m8" id="sg1" role="SuperatomSgroup" title="PdCl2"><atomArray><atom id="a2" elementType="Cl" x2="3.2265769111951506" y2="-0.3333333333333333" formalCharge="-1"/><atom id="a3" elementType="Cl" x2="7.6264968759957945" y2="-0.3333333333333333" formalCharge="-1"/><atom id="a4" elementType="Pd" x2="1.6865769235151506" y2="-0.3333333333333333" formalCharge="2"/></atomArray></molecule></molecule><molecule molID="m9"><atomArray><atom id="a1" elementType="R" x2="3.5599102445284836" y2="1.4166666666666667" sgroupRef="sg1"/></atomArray><bondArray/><molecule molID="m10" id="sg1" role="SuperatomSgroup" title="KMnO4"><atomArray><atom id="a2" elementType="K" x2="3.5599102445284836" y2="1.4166666666666667" formalCharge="1"/><atom id="a3" elementType="O" x2="3.5599102445284836" y2="2.956666654346666" formalCharge="-1"/><atom id="a4" elementType="Mn" x2="3.5599102445284836" y2="4.496666642026668"/><atom id="a5" elementType="O" x2="3.5599102445284836" y2="6.036666629706669"/><atom id="a6" elementType="O" x2="5.099910232208483" y2="4.496666642026668"/><atom id="a7" elementType="O" x2="2.0199102568484837" y2="4.496666642026668"/></atomArray><bondArray><bond id="b1" atomRefs2="a3 a4" order="1"/><bond id="b2" atomRefs2="a4 a5" order="2"/><bond id="b3" atomRefs2="a4 a6" order="2"/><bond id="b4" atomRefs2="a4 a7" order="2"/></bondArray></molecule></molecule></agentList><productList><molecule molID="m11"><atomArray><atom id="a1" elementType="C" x2="8.58324000000075" y2="1.935926654345919"/><atom id="a2" elementType="C" x2="7.249693344002456" y2="1.16592666050592"/><atom id="a3" elementType="C" x2="7.249693344002456" y2="-0.3742599938392539"/><atom id="a4" elementType="C" x2="8.58324000000075" y2="-1.1442599876792539"/><atom id="a5" elementType="C" x2="9.916973322664214" y2="-0.3742599938392539"/><atom id="a6" elementType="C" x2="9.916973322664214" y2="1.16592666050592"/><atom id="a7" elementType="C" x2="11.381475622357591" y2="-0.8502524373589369"/><atom id="a8" elementType="C" x2="12.28679381172118" y2="0.39554005662303915"/><atom id="a9" elementType="C" x2="11.381723285285448" y2="1.6414372179450727"/></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="a7 a8" order="1"/><bond id="b8" atomRefs2="a8 a9" order="1"/><bond id="b9" atomRefs2="a5 a7" order="1"/><bond id="b10" atomRefs2="a6 a9" order="1"/></bondArray></molecule></productList></reaction></MChemicalStruct></MDocument></cml>