File: BMS-986142_atrop5.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="2.7255" y2="0.1923"/><atom id="a2" elementType="C" x2="2.0126" y2="0.6076"/><atom id="a3" elementType="C" x2="1.2651" y2="0.1836"/><atom id="a4" elementType="C" x2="1.2556" y2="-0.6411"/><atom id="a5" elementType="C" x2="1.9653" y2="-1.0618"/><atom id="a6" elementType="C" x2="2.6844" y2="-0.6576"/><atom id="a7" elementType="C" x2="1.9557" y2="-1.8867"/><atom id="a8" elementType="N" x2="2.9779" y2="-2.2183"/><atom id="a9" elementType="C" x2="3.5845" y2="-1.6592"/><atom id="a10" elementType="O" x2="3.4037" y2="-0.8543"/><atom id="a11" elementType="C" x2="4.372" y2="-1.9051"/><atom id="a12" elementType="C" x2="4.5528" y2="-2.71"/><atom id="a13" elementType="N" x2="3.9461" y2="-3.2691"/><atom id="a14" elementType="C" x2="4.127" y2="-4.074"/><atom id="a15" elementType="C" x2="3.1587" y2="-3.0232"/><atom id="a16" elementType="O" x2="2.552" y2="-3.5823"/><atom id="a17" elementType="C" x2="5.3691" y2="-2.9787"/><atom id="a18" elementType="F" x2="5.5406" y2="-3.7857"/><atom id="a19" elementType="C" x2="6.0055" y2="-2.4013"/><atom id="a20" elementType="C" x2="5.8171" y2="-1.5628"/><atom id="a21" elementType="C" x2="4.9948" y2="-1.313"/><atom id="a22" elementType="C" x2="1.2365" y2="-2.291"/><atom id="a23" elementType="C" x2="0.527" y2="-1.8702"/><atom id="a24" elementType="C" x2="0.5365" y2="-1.0454"/><atom id="a25" elementType="C" x2="0.5278" y2="0.6247"/><atom id="a26" elementType="C" x2="0.5278" y2="1.4497"/><atom id="a27" elementType="N" x2="-0.2567" y2="1.7046"/><atom id="a28" elementType="C" x2="-0.7417" y2="1.0372"/><atom id="a29" elementType="C" x2="-0.2567" y2="0.3698"/><atom id="a30" elementType="C" x2="-0.5941" y2="-0.4204"/><atom id="a31" elementType="C" x2="-1.448" y2="-0.5167"/><atom id="a32" elementType="C" x2="-1.9531" y2="0.1783"/><atom id="a33" elementType="C" x2="-2.7739" y2="0.0952"/><atom id="a34" elementType="O" x2="-3.5947" y2="0.0121"/><atom id="a35" elementType="C" x2="-2.857" y2="0.9159"/><atom id="a36" elementType="C" x2="-2.6908" y2="-0.7255"/><atom id="a37" elementType="C" x2="-1.5976" y2="0.9606"/><atom id="a38" elementType="C" x2="1.2652" y2="1.8908"/><atom id="a39" elementType="C" x2="1.2556" y2="2.7157"/><atom id="a40" elementType="O" x2="0.5366" y2="3.1199"/><atom id="a41" elementType="N" x2="1.9653" y2="3.1365"/><atom id="a42" elementType="C" x2="2.0127" y2="1.4669"/></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="a8 a15" order="1"><bondStereo>W</bondStereo></bond><bond id="b46" atomRefs2="a37 a28" order="1"/><bond id="b47" atomRefs2="a21 a11" order="1"/></bondArray></molecule></MChemicalStruct></MDocument></cml>