File: marvin09.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="0.1125" y2="9.3"/><atom id="a2" elementType="C" x2="0.1125" y2="7.8"/><atom id="a3" elementType="C" x2="1.41154" y2="10.05"/><atom id="a4" elementType="C" x2="1.41154" y2="7.05"/></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="9.525"/><atom id="a6" elementType="C" x2="4.8375" y2="8.025"/><atom id="a7" elementType="C" x2="6.13654" y2="10.275"/><atom id="a8" elementType="C" x2="6.13654" y2="7.275"/><atom id="a9" elementType="O" x2="6.13654" y2="11.775"/><atom id="a10" elementType="O" x2="7.43558" y2="9.525"/><atom id="a11" elementType="O" x2="6.13654" y2="5.775"/><atom id="a12" elementType="O" x2="7.43558" y2="8.025"/><atom id="a13" elementType="O" x2="7.8" y2="6.525"/></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="0.525" y2="4.0875" formalCharge="-1" mrvValence="4"/><atom id="a15" elementType="Cl" x2="0.525" y2="5.5875"/><atom id="a16" elementType="Cl" x2="-0.975" y2="4.0875"/><atom id="a17" elementType="Cl" x2="0.525" y2="2.5875"/><atom id="a18" elementType="Cl" x2="2.025" y2="4.0875"/><atom id="a19" elementType="Na" x2="2.175" 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="8.97727" y2="6.41239"/><atom id="a21" elementType="C" x2="11.5727" y2="6.41312"/><atom id="a22" elementType="C" x2="10.2775" y2="7.16255"/><atom id="a23" elementType="C" x2="11.5727" y2="4.9117"/><atom id="a24" elementType="C" x2="8.97727" y2="4.90497"/><atom id="a25" elementType="C" x2="10.2807" y2="4.16245"/></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="7.9125" y2="2.3625"/><atom id="a27" elementType="C" x2="9.21154" y2="3.1125"/><atom id="a28" elementType="C" x2="10.5106" y2="2.3625"/><atom id="a29" elementType="C" x2="11.8096" y2="3.1125"/><atom id="a30" elementType="C" x2="13.1087" y2="2.3625"/><atom id="a31" elementType="C" x2="14.4077" y2="3.1125"/><atom id="a32" elementType="C" x2="15.7067" y2="2.3625"/></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="0.950981" y2="-1.12499"/><atom id="a34" elementType="C" x2="0.950981" y2="-2.62501"/><atom id="a35" elementType="C" x2="2.25" y2="-3.37502"/><atom id="a36" elementType="C" x2="3.54902" y2="-2.62501"/><atom id="a37" elementType="C" x2="3.54902" y2="-1.12499"/><atom id="a38" elementType="C" x2="2.25" y2="-0.374978"/><atom id="a39" elementType="C" x2="4.84806" y2="-0.374997"/><atom id="a40" elementType="C" x2="4.84806" y2="-3.375"/><atom id="a41" elementType="O" x2="6.1471" y2="-1.12501"/><atom id="a42" elementType="O" x2="4.84807" y2="1.125"/><atom id="a43" elementType="O" x2="4.84807" y2="-4.875"/><atom id="a44" elementType="O" x2="6.1471" y2="-2.62499"/></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="-1.7625"/></atomArray></molecule></productList><arrow type="DEFAULT" x1="5.57614" y1="5.275" x2="5.57614" y2="1.625"/></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="3.12452" y="8.6625"/><MPoint x="4.12452" y="8.6625"/><MPoint x="4.12452" y="9.6625"/><MPoint x="3.12452" y="9.6625"/></MReactionSign><MReactionSign id="o2" toptions="NOROT" fontScale="14.0" halign="CENTER" valign="CENTER" autoSize="true"><Field name="text">{D font=SansSerif,size=18,bold}+</Field><MPoint x="7.94855" y="-1.81875"/><MPoint x="8.94855" y="-1.81875"/><MPoint x="8.94855" y="-0.81875"/><MPoint x="7.94855" y="-0.81875"/></MReactionSign></MDocument></cml>