File: bondArray_node.mrv.expected.mrv

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rdkit 202503.1-5
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<?xml version="1.0" encoding="utf-8"?>
<cml xmlns="http://www.chemaxon.com" 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><reactantList><molecule molID="m1"><atomArray><atom id="a1" elementType="C" x2="-10.1668" y2="2.26926"/><atom id="a2" elementType="C" x2="-11.5003" y2="1.49926"/><atom id="a3" elementType="C" x2="-11.5003" y2="-0.0409267"/><atom id="a4" elementType="C" x2="-10.1668" y2="-0.810927"/><atom id="a5" elementType="C" x2="-8.83303" y2="-0.0409267"/><atom id="a6" elementType="C" x2="-8.83303" y2="1.49926"/></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="a7" elementType="C" x2="-4.54167" y2="2.24746"/><atom id="a8" elementType="C" x2="-5.78748" y2="1.34213"/><atom id="a9" elementType="C" x2="-5.31167" y2="-0.12246"/><atom id="a10" elementType="C" x2="-3.77167" y2="-0.12246"/><atom id="a11" elementType="C" x2="-3.29585" y2="1.34213"/></atomArray><bondArray><bond id="b7" atomRefs2="a7 a8" order="1"/><bond id="b8" atomRefs2="a7 a11" order="1"/><bond id="b9" atomRefs2="a8 a9" order="1"/><bond id="b10" atomRefs2="a9 a10" order="1"/><bond id="b11" atomRefs2="a10 a11" order="1"/></bondArray></molecule></reactantList><agentList><molecule molID="m3"><atomArray><atom id="a12" elementType="R" x2="-0.398423" y2="1.3125" sgroupRef="sg1"/></atomArray><molecule molID="m4" id="sg1" role="SuperatomSgroup" title="PdPPh3"><atomArray><atom id="a13" elementType="Pd" x2="-0.398423" y2="-0.1505" mrvValence="1"/><atom id="a14" elementType="P" x2="-0.398423" y2="1.3895"/><atom id="a15" elementType="C" x2="-1.7321" y2="0.6195"/><atom id="a16" elementType="C" x2="-3.06578" y2="1.3895"/><atom id="a17" elementType="C" x2="-4.39946" y2="0.6195"/><atom id="a18" elementType="C" x2="-4.39946" y2="-0.9205"/><atom id="a19" elementType="C" x2="-3.06578" y2="-1.6905"/><atom id="a20" elementType="C" x2="-1.7321" y2="-0.9205"/><atom id="a21" elementType="C" x2="0.935256" y2="0.6195"/><atom id="a22" elementType="C" x2="0.935256" y2="-0.9205"/><atom id="a23" elementType="C" x2="2.26894" y2="-1.6905"/><atom id="a24" elementType="C" x2="3.60261" y2="-0.9205"/><atom id="a25" elementType="C" x2="3.60261" y2="0.6195"/><atom id="a26" elementType="C" x2="2.26894" y2="1.3895"/><atom id="a27" elementType="C" x2="-0.398423" y2="2.9295"/><atom id="a28" elementType="C" x2="0.935256" y2="3.6995"/><atom id="a29" elementType="C" x2="0.935256" y2="5.2395"/><atom id="a30" elementType="C" x2="-0.398423" y2="6.0095"/><atom id="a31" elementType="C" x2="-1.7321" y2="5.2395"/><atom id="a32" elementType="C" x2="-1.7321" y2="3.6995"/></atomArray><bondArray><bond id="b12" atomRefs2="a31 a32" order="1"/><bond id="b13" atomRefs2="a30 a31" order="2"/><bond id="b14" atomRefs2="a29 a30" order="1"/><bond id="b15" atomRefs2="a28 a29" order="2"/><bond id="b16" atomRefs2="a27 a28" order="1"/><bond id="b17" atomRefs2="a27 a32" order="2"/><bond id="b18" atomRefs2="a25 a26" order="1"/><bond id="b19" atomRefs2="a24 a25" order="2"/><bond id="b20" atomRefs2="a23 a24" order="1"/><bond id="b21" atomRefs2="a22 a23" order="2"/><bond id="b22" atomRefs2="a21 a22" order="1"/><bond id="b23" atomRefs2="a21 a26" order="2"/><bond id="b24" atomRefs2="a19 a20" order="1"/><bond id="b25" atomRefs2="a18 a19" order="2"/><bond id="b26" atomRefs2="a17 a18" order="1"/><bond id="b27" atomRefs2="a16 a17" order="2"/><bond id="b28" atomRefs2="a15 a16" order="1"/><bond id="b29" atomRefs2="a15 a20" order="2"/><bond id="b30" atomRefs2="a14 a15" order="1"/><bond id="b31" atomRefs2="a14 a21" order="1"/><bond id="b32" atomRefs2="a14 a27" order="1"/><bond id="b33" atomRefs2="a13 a14" order="1"/></bondArray></molecule></molecule><molecule molID="m5"><atomArray><atom id="a33" elementType="R" x2="0.268244" y2="-0.0833333" sgroupRef="sg2"/></atomArray><molecule molID="m6" id="sg2" role="SuperatomSgroup" title="NaOH"><atomArray><atom id="a34" elementType="O" x2="1.03824" y2="-0.0833333" formalCharge="-1"/><atom id="a35" elementType="Na" x2="-0.501756" y2="-0.0833333" formalCharge="1"/></atomArray></molecule></molecule><molecule molID="m7"><atomArray><atom id="a36" elementType="R" x2="3.22658" y2="-0.333333" sgroupRef="sg3"/></atomArray><molecule molID="m8" id="sg3" role="SuperatomSgroup" title="PdCl2"><atomArray><atom id="a37" elementType="Cl" x2="2.27327" y2="-0.333333" formalCharge="-1"/><atom id="a38" elementType="Cl" x2="6.67319" y2="-0.333333" formalCharge="-1"/><atom id="a39" elementType="Pd" x2="0.73327" y2="-0.333333" formalCharge="2"/></atomArray></molecule></molecule><molecule molID="m9"><atomArray><atom id="a40" elementType="R" x2="3.55991" y2="1.41667" sgroupRef="sg4"/></atomArray><molecule molID="m10" id="sg4" role="SuperatomSgroup" title="KMnO4"><atomArray><atom id="a41" elementType="K" x2="3.55991" y2="-1.15" formalCharge="1"/><atom id="a42" elementType="O" x2="3.55991" y2="0.39" formalCharge="-1"/><atom id="a43" elementType="Mn" x2="3.55991" y2="1.93" mrvValence="7"/><atom id="a44" elementType="O" x2="3.55991" y2="3.47"/><atom id="a45" elementType="O" x2="5.09991" y2="1.93"/><atom id="a46" elementType="O" x2="2.01991" y2="1.93"/></atomArray><bondArray><bond id="b34" atomRefs2="a42 a43" order="1"/><bond id="b35" atomRefs2="a43 a44" order="2"/><bond id="b36" atomRefs2="a43 a45" order="2"/><bond id="b37" atomRefs2="a43 a46" order="2"/></bondArray></molecule></molecule></agentList><productList><molecule molID="m11"><atomArray><atom id="a47" elementType="C" x2="8.58324" y2="1.93593"/><atom id="a48" elementType="C" x2="7.24969" y2="1.16593"/><atom id="a49" elementType="C" x2="7.24969" y2="-0.37426"/><atom id="a50" elementType="C" x2="8.58324" y2="-1.14426"/><atom id="a51" elementType="C" x2="9.91697" y2="-0.37426"/><atom id="a52" elementType="C" x2="9.91697" y2="1.16593"/><atom id="a53" elementType="C" x2="11.3815" y2="-0.850252"/><atom id="a54" elementType="C" x2="12.2868" y2="0.39554"/><atom id="a55" elementType="C" x2="11.3817" y2="1.64144"/></atomArray><bondArray><bond id="b38" atomRefs2="a47 a48" order="2"/><bond id="b39" atomRefs2="a48 a49" order="1"/><bond id="b40" atomRefs2="a49 a50" order="2"/><bond id="b41" atomRefs2="a50 a51" order="1"/><bond id="b42" atomRefs2="a51 a52" order="2"/><bond id="b43" atomRefs2="a52 a47" order="1"/><bond id="b44" atomRefs2="a53 a54" order="1"/><bond id="b45" atomRefs2="a54 a55" order="1"/><bond id="b46" atomRefs2="a51 a53" order="1"/><bond id="b47" atomRefs2="a52 a55" order="1"/></bondArray></molecule></productList><arrow type="DEFAULT" x1="-2.79585" y1="0.916667" x2="6.74969" y2="0.916667"/></reaction></MChemicalStruct><MReactionSign id="o1" toptions="NOROT" fontScale="14.0" halign="CENTER" valign="CENTER" autoSize="true"><Field name="text">{D font=SansSerif,size=18,bold}+</Field><MPoint x="-7.31025" y="0.895833"/><MPoint x="-6.31025" y="0.895833"/><MPoint x="-6.31025" y="1.89583"/><MPoint x="-7.31025" y="1.89583"/></MReactionSign></MDocument></cml>