File: RP-6306_atrop2.cxsmi.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><molecule molID="m1"><atomArray><atom id="a1" elementType="O" x2="2.0992" y2="3.5589"/><atom id="a2" elementType="C" x2="2.2694" y2="2.7517"/><atom id="a3" elementType="C" x2="1.6554" y2="2.2008"/><atom id="a4" elementType="C" x2="0.8712" y2="2.4571"/><atom id="a5" elementType="C" x2="1.8255" y2="1.3935"/><atom id="a6" elementType="N" x2="1.0637" y2="0.4452"/><atom id="a7" elementType="C" x2="0.8122" y2="-0.3353"/><atom id="a8" elementType="C" x2="-0.0126" y2="-0.3353"/><atom id="a9" elementType="C" x2="-0.264" y2="0.4452"/><atom id="a10" elementType="C" x2="-1.0482" y2="0.7015"/><atom id="a11" elementType="O" x2="-1.6621" y2="0.1505"/><atom id="a12" elementType="N" x2="-1.2182" y2="1.5087"/><atom id="a13" elementType="C" x2="0.3998" y2="0.9266"/><atom id="a14" elementType="N" x2="0.3998" y2="1.7516"/><atom id="a15" elementType="C" x2="-0.425" y2="-1.0498"/><atom id="a16" elementType="C" x2="-0.0126" y2="-1.7642"/><atom id="a17" elementType="C" x2="-0.425" y2="-2.4786"/><atom id="a18" elementType="C" x2="0.8122" y2="-1.7642"/><atom id="a19" elementType="C" x2="1.2247" y2="-2.4786"/><atom id="a20" elementType="N" x2="1.2247" y2="-1.0498"/><atom id="a21" elementType="C" x2="2.6096" y2="1.1372"/><atom id="a22" elementType="C" x2="2.7797" y2="0.33"/><atom id="a23" elementType="C" x2="3.2236" y2="1.6882"/><atom id="a24" elementType="C" x2="3.0535" y2="2.4954"/></atomArray><bondArray><bond id="b1" atomRefs2="a1 a2" order="1"/><bond id="b2" atomRefs2="a2 a3" order="2"/><bond id="b3" atomRefs2="a3 a4" order="1"/><bond id="b4" atomRefs2="a3 a5" order="1"/><bond id="b5" atomRefs2="a5 a6" order="1"/><bond id="b6" atomRefs2="a6 a7" order="1"><bondStereo>H</bondStereo></bond><bond id="b7" atomRefs2="a7 a8" order="2"/><bond id="b8" atomRefs2="a8 a9" order="1"/><bond id="b9" atomRefs2="a9 a10" order="1"/><bond id="b10" atomRefs2="a10 a11" order="2"/><bond id="b11" atomRefs2="a10 a12" order="1"/><bond id="b12" atomRefs2="a9 a13" order="2"/><bond id="b13" atomRefs2="a13 a14" order="1"/><bond id="b14" atomRefs2="a8 a15" order="1"/><bond id="b15" atomRefs2="a15 a16" order="2"/><bond id="b16" atomRefs2="a16 a17" order="1"/><bond id="b17" atomRefs2="a16 a18" order="1"/><bond id="b18" atomRefs2="a18 a19" order="1"/><bond id="b19" atomRefs2="a18 a20" order="2"/><bond id="b20" atomRefs2="a5 a21" order="2"/><bond id="b21" atomRefs2="a21 a22" order="1"/><bond id="b22" atomRefs2="a21 a23" order="1"/><bond id="b23" atomRefs2="a23 a24" order="2"/><bond id="b24" atomRefs2="a24 a2" order="1"/><bond id="b25" atomRefs2="a13 a6" order="1"/><bond id="b26" atomRefs2="a20 a7" order="1"/></bondArray></molecule></MChemicalStruct></MDocument></cml>