File: BMS-986142_atrop3.cxsmi.expected.mrv

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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="F" x2="1.5201" y2="0.661"/><atom id="a2" elementType="C" x2="0.8072" y2="1.0763"/><atom id="a3" elementType="C" x2="0.0597" y2="0.6523"/><atom id="a4" elementType="C" x2="0.0502" y2="-0.1724"/><atom id="a5" elementType="C" x2="0.7599" y2="-0.5931"/><atom id="a6" elementType="C" x2="1.479" y2="-0.1889"/><atom id="a7" elementType="C" x2="0.7503" y2="-1.418"/><atom id="a8" elementType="N" x2="1.7725" y2="-1.7496"/><atom id="a9" elementType="C" x2="2.3791" y2="-1.1905"/><atom id="a10" elementType="O" x2="2.1983" y2="-0.3856"/><atom id="a11" elementType="C" x2="3.1666" y2="-1.4364"/><atom id="a12" elementType="C" x2="3.3474" y2="-2.2413"/><atom id="a13" elementType="N" x2="2.7407" y2="-2.8003"/><atom id="a14" elementType="C" x2="2.9216" y2="-3.6053"/><atom id="a15" elementType="C" x2="1.9533" y2="-2.5545"/><atom id="a16" elementType="O" x2="1.3466" y2="-3.1136"/><atom id="a17" elementType="C" x2="4.1637" y2="-2.5099"/><atom id="a18" elementType="F" x2="4.3352" y2="-3.317"/><atom id="a19" elementType="C" x2="4.8001" y2="-1.9326"/><atom id="a20" elementType="C" x2="4.6117" y2="-1.0941"/><atom id="a21" elementType="C" x2="3.7894" y2="-0.8443"/><atom id="a22" elementType="C" x2="0.0311" y2="-1.8223"/><atom id="a23" elementType="C" x2="-0.6783" y2="-1.4015"/><atom id="a24" elementType="C" x2="-0.6688" y2="-0.5767"/><atom id="a25" elementType="C" x2="-0.6775" y2="1.0934"/><atom id="a26" elementType="C" x2="-0.6775" y2="1.9185"/><atom id="a27" elementType="N" x2="-1.4621" y2="2.1734"/><atom id="a28" elementType="C" x2="-1.9471" y2="1.5059"/><atom id="a29" elementType="C" x2="-1.4621" y2="0.8385"/><atom id="a30" elementType="C" x2="-1.7995" y2="0.0482"/><atom id="a31" elementType="C" x2="-2.6534" y2="-0.048"/><atom id="a32" elementType="C" x2="-3.1585" y2="0.647"/><atom id="a33" elementType="C" x2="-3.9793" y2="0.5639"/><atom id="a34" elementType="O" x2="-4.8001" y2="0.4808"/><atom id="a35" elementType="C" x2="-4.0624" y2="1.3846"/><atom id="a36" elementType="C" x2="-3.8962" y2="-0.2568"/><atom id="a37" elementType="C" x2="-2.803" y2="1.4293"/><atom id="a38" elementType="C" x2="0.0598" y2="2.3595"/><atom id="a39" elementType="C" x2="0.0502" y2="3.1844"/><atom id="a40" elementType="O" x2="-0.6687" y2="3.5887"/><atom id="a41" elementType="N" x2="0.7599" y2="3.6053"/><atom id="a42" elementType="C" x2="0.8073" y2="1.9356"/></atomArray><bondArray><bond id="b1" atomRefs2="a1 a2" order="1"/><bond id="b2" atomRefs2="a2 a3" order="1"/><bond id="b3" atomRefs2="a3 a4" order="1"/><bond id="b4" atomRefs2="a4 a5" order="2"/><bond id="b5" atomRefs2="a5 a6" order="1"/><bond id="b6" atomRefs2="a5 a7" order="1"/><bond id="b7" atomRefs2="a7 a8" order="1"/><bond id="b8" atomRefs2="a8 a9" order="1"><bondStereo>H</bondStereo></bond><bond id="b9" atomRefs2="a9 a10" order="2"/><bond id="b10" atomRefs2="a9 a11" order="1"/><bond id="b11" atomRefs2="a11 a12" order="2"/><bond id="b12" atomRefs2="a12 a13" order="1"/><bond id="b13" atomRefs2="a13 a14" order="1"/><bond id="b14" atomRefs2="a13 a15" order="1"/><bond id="b15" atomRefs2="a15 a16" order="2"/><bond id="b16" atomRefs2="a12 a17" order="1"/><bond id="b17" atomRefs2="a17 a18" order="1"/><bond id="b18" atomRefs2="a17 a19" order="2"/><bond id="b19" atomRefs2="a19 a20" order="1"/><bond id="b20" atomRefs2="a20 a21" order="2"/><bond id="b21" atomRefs2="a7 a22" order="2"/><bond id="b22" atomRefs2="a22 a23" order="1"/><bond id="b23" atomRefs2="a23 a24" order="2"/><bond id="b24" atomRefs2="a3 a25" order="2"/><bond id="b25" atomRefs2="a25 a26" order="1"/><bond id="b26" atomRefs2="a26 a27" order="1"/><bond id="b27" atomRefs2="a27 a28" order="1"/><bond id="b28" atomRefs2="a28 a29" order="2"/><bond id="b29" atomRefs2="a29 a30" order="1"/><bond id="b30" atomRefs2="a30 a31" order="1"/><bond id="b31" atomRefs2="a31 a32" order="1"/><bond id="b32" atomRefs2="a32 a33" order="1"><bondStereo>H</bondStereo></bond><bond id="b33" atomRefs2="a33 a34" order="1"/><bond id="b34" atomRefs2="a33 a35" order="1"/><bond id="b35" atomRefs2="a33 a36" order="1"/><bond id="b36" atomRefs2="a32 a37" order="1"/><bond id="b37" atomRefs2="a26 a38" order="2"/><bond id="b38" atomRefs2="a38 a39" order="1"/><bond id="b39" atomRefs2="a39 a40" order="2"/><bond id="b40" atomRefs2="a39 a41" order="1"/><bond id="b41" atomRefs2="a38 a42" order="1"/><bond id="b42" atomRefs2="a42 a2" order="2"/><bond id="b43" atomRefs2="a24 a4" order="1"/><bond id="b44" atomRefs2="a29 a25" order="1"/><bond id="b45" atomRefs2="a15 a8" order="1"/><bond id="b46" atomRefs2="a37 a28" order="1"/><bond id="b47" atomRefs2="a21 a11" order="1"/></bondArray></molecule></MChemicalStruct></MDocument></cml>