File: marvin09.mrv

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rdkit 202503.1-5
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<cml xmlns="http://www.chemaxon.com" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" version="ChemAxon file format v20.20.0, generated by vunknown" xsi:schemaLocation="http://www.chemaxon.com http://www.chemaxon.com/marvin/schema/mrvSchema_20_20_0.xsd"><MDocument xmlns=""><MChemicalStruct><reaction><reactantList><molecule molID="m1"><atomArray><atom id="a1" elementType="C" x2="0.11249999999999893" y2="9.3"/><atom id="a2" elementType="C" x2="0.11249999999999893" y2="7.800000000000001"/><atom id="a3" elementType="C" x2="1.4115381056766585" y2="10.05"/><atom id="a4" elementType="C" x2="1.4115381056766585" y2="7.049999999999999"/></atomArray><bondArray><bond id="b1" atomRefs2="a1 a2" order="1"/><bond id="b2" atomRefs2="a1 a3" order="2"/><bond id="b3" atomRefs2="a2 a4" order="2"/></bondArray></molecule><molecule molID="m2"><atomArray><atom id="a5" elementType="C" x2="4.8375" y2="9.525000000000002"/><atom id="a6" elementType="C" x2="4.8375" y2="8.025"/><atom id="a7" elementType="C" x2="6.136538105676658" y2="10.275000000000002"/><atom id="a8" elementType="C" x2="6.136538105676658" y2="7.275"/><atom id="a9" elementType="O" x2="6.136538105676658" y2="11.775000000000002"/><atom id="a10" elementType="O" x2="7.435576211353317" y2="9.525000000000002"/><atom id="a11" elementType="O" x2="6.136538105676658" y2="5.7749999999999995"/><atom id="a12" elementType="O" x2="7.435576211353317" y2="8.025"/><atom id="a13" elementType="O" x2="7.800000000000002" y2="6.5249999999999995"/></atomArray><bondArray><bond id="b4" atomRefs2="a5 a6" order="2"/><bond id="b5" atomRefs2="a5 a7" order="1"/><bond id="b6" atomRefs2="a6 a8" order="1"/><bond id="b7" atomRefs2="a7 a9" order="2"/><bond id="b8" atomRefs2="a7 a10" order="1"/><bond id="b9" atomRefs2="a8 a11" order="2"/><bond id="b10" atomRefs2="a8 a12" order="1"/></bondArray></molecule></reactantList><agentList><molecule molID="m3"><atomArray><atom id="a14" elementType="Al" x2="0.5249999999999995" y2="4.087499999999999" formalCharge="-1"/><atom id="a15" elementType="Cl" x2="0.5249999999999995" y2="5.5875"/><atom id="a16" elementType="Cl" x2="-0.9750000000000005" y2="4.087499999999999"/><atom id="a17" elementType="Cl" x2="0.5249999999999995" y2="2.5874999999999986"/><atom id="a18" elementType="Cl" x2="2.025000000000001" y2="4.087499999999999"/><atom id="a19" elementType="Na" x2="2.1750000000000003" y2="5.175" formalCharge="1"/></atomArray><bondArray><bond id="b11" atomRefs2="a14 a15" order="1"/><bond id="b12" atomRefs2="a14 a16" order="1"/><bond id="b13" atomRefs2="a14 a17" order="1"/><bond id="b14" atomRefs2="a14 a18" order="1"/></bondArray></molecule><molecule molID="m4"><atomArray><atom id="a20" elementType="C" x2="8.977273728192852" y2="6.412388374238089"/><atom id="a21" elementType="C" x2="11.572726271807152" y2="6.413116156234195"/><atom id="a22" elementType="C" x2="10.27745626423686" y2="7.162549666724718"/><atom id="a23" elementType="C" x2="11.572726271807152" y2="4.911701898266777"/><atom id="a24" elementType="C" x2="8.977273728192852" y2="4.904969914802794"/><atom id="a25" elementType="C" x2="10.280731283219339" y2="4.162450333275281"/></atomArray><bondArray><bond id="b15" atomRefs2="a22 a20" order="2"/><bond id="b16" atomRefs2="a23 a21" order="2"/><bond id="b17" atomRefs2="a20 a24" order="1"/><bond id="b18" atomRefs2="a21 a22" order="1"/><bond id="b19" atomRefs2="a24 a25" order="2"/><bond id="b20" atomRefs2="a25 a23" order="1"/></bondArray></molecule><molecule molID="m5"><atomArray><atom id="a26" elementType="C" x2="7.9125000000000005" y2="2.3624999999999994"/><atom id="a27" elementType="C" x2="9.21153810567666" y2="3.112499999999999"/><atom id="a28" elementType="C" x2="10.510576211353316" y2="2.3624999999999994"/><atom id="a29" elementType="C" x2="11.809614317029975" y2="3.112499999999999"/><atom id="a30" elementType="C" x2="13.108652422706633" y2="2.3624999999999994"/><atom id="a31" elementType="C" x2="14.407690528383291" y2="3.112499999999999"/><atom id="a32" elementType="C" x2="15.70672863405995" y2="2.3624999999999994"/></atomArray><bondArray><bond id="b21" atomRefs2="a26 a27" order="1"/><bond id="b22" atomRefs2="a27 a28" order="1"/><bond id="b23" atomRefs2="a28 a29" order="1"/><bond id="b24" atomRefs2="a29 a30" order="1"/><bond id="b25" atomRefs2="a30 a31" order="1"/><bond id="b26" atomRefs2="a31 a32" order="1"/></bondArray></molecule></agentList><productList><molecule molID="m6"><atomArray><atom id="a33" elementType="C" x2="0.9509809475109847" y2="-1.1249889997176596"/><atom id="a34" elementType="C" x2="0.9509809475109847" y2="-2.625011000282343"/><atom id="a35" elementType="C" x2="2.25" y2="-3.3750220005646856"/><atom id="a36" elementType="C" x2="3.5490190524890166" y2="-2.625011000282343"/><atom id="a37" elementType="C" x2="3.5490190524890166" y2="-1.1249889997176596"/><atom id="a38" elementType="C" x2="2.25" y2="-0.3749779994353173"/><atom id="a39" elementType="C" x2="4.848061921453851" y2="-0.37499725003529805"/><atom id="a40" elementType="C" x2="4.848061921453851" y2="-3.375002749964705"/><atom id="a41" elementType="O" x2="6.147095263789935" y2="-1.1250055003226846"/><atom id="a42" elementType="O" x2="4.848071448082604" y2="1.1250027499344502"/><atom id="a43" elementType="O" x2="4.848071448082604" y2="-4.875002749934452"/><atom id="a44" elementType="O" x2="6.147095263789935" y2="-2.6249944996773182"/></atomArray><bondArray><bond id="b27" atomRefs2="a33 a38" order="1"/><bond id="b28" atomRefs2="a33 a34" order="1"/><bond id="b29" atomRefs2="a34 a35" order="1"/><bond id="b30" atomRefs2="a35 a36" order="1"/><bond id="b31" atomRefs2="a36 a37" order="2"/><bond id="b32" atomRefs2="a37 a38" order="1"/><bond id="b33" atomRefs2="a37 a39" order="1"/><bond id="b34" atomRefs2="a36 a40" order="1"/><bond id="b35" atomRefs2="a39 a41" order="1"/><bond id="b36" atomRefs2="a39 a42" order="2"/><bond id="b37" atomRefs2="a40 a43" order="2"/><bond id="b38" atomRefs2="a40 a44" order="1"/></bondArray></molecule><molecule molID="m7"><atomArray><atom id="a45" elementType="O" x2="9.75" y2="-1.7625000000000004"/></atomArray><bondArray/></molecule></productList><arrow type="DEFAULT" x1="4.7625" y1="5.775" x2="4.800000000000001" y2="2.0999999999999996"/></reaction></MChemicalStruct><MReactionSign id="o1" toptions="NOROT" fontScale="14.0" halign="CENTER" valign="CENTER" autoSize="true"><Field name="text"><![CDATA[ {D font=SansSerif,size=18,bold}+ ]]></Field><MPoint x="2.6750000000000007" y="8.4125"/><MPoint x="3.1750000000000007" y="8.4125"/><MPoint x="3.1750000000000007" y="8.9125"/><MPoint x="2.6750000000000007" y="8.9125"/></MReactionSign><MReactionSign id="o2" toptions="NOROT" fontScale="14.0" halign="CENTER" valign="CENTER" autoSize="true"><Field name="text"><![CDATA[ {D font=SansSerif,size=18,bold}+ ]]></Field><MPoint x="7.850000000000001" y="-2.0125"/><MPoint x="8.350000000000001" y="-2.0125"/><MPoint x="8.350000000000001" y="-1.5125000000000004"/><MPoint x="7.850000000000001" y="-1.5125000000000004"/></MReactionSign></MDocument></cml>