File: Sotorasib_atropBad2.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="1.415" y2="2.3059"/><atom id="a2" elementType="C" x2="1.4183" y2="1.4808"/><atom id="a3" elementType="C" x2="2.1624" y2="1.0512"/><atom id="a4" elementType="C" x2="2.8786" y2="1.461"/><atom id="a5" elementType="C" x2="2.8816" y2="2.2858"/><atom id="a6" elementType="O" x2="2.1688" y2="2.7011"/><atom id="a7" elementType="C" x2="3.5978" y2="2.6956"/><atom id="a8" elementType="C" x2="4.3106" y2="2.2804"/><atom id="a9" elementType="C" x2="4.3074" y2="1.4554"/><atom id="a10" elementType="C" x2="3.5913" y2="1.0457"/><atom id="a11" elementType="F" x2="3.5882" y2="0.2207"/><atom id="a12" elementType="N" x2="2.1558" y2="0.1918"/><atom id="a13" elementType="C" x2="1.405" y2="-0.226"/><atom id="a14" elementType="N" x2="1.405" y2="-1.0511"/><atom id="a15" elementType="C" x2="2.1196" y2="-1.4636"/><atom id="a16" elementType="C" x2="2.8341" y2="-1.0511"/><atom id="a17" elementType="C" x2="3.3643" y2="-0.419"/><atom id="a18" elementType="C" x2="4.1768" y2="-0.5622"/><atom id="a19" elementType="C" x2="3.0821" y2="0.356"/><atom id="a20" elementType="N" x2="3.5484" y2="-1.4636"/><atom id="a21" elementType="C" x2="3.5484" y2="-2.2886"/><atom id="a22" elementType="C" x2="2.834" y2="-2.7011"/><atom id="a23" elementType="C" x2="2.1196" y2="-2.2886"/><atom id="a24" elementType="C" x2="1.405" y2="-2.7011"/><atom id="a25" elementType="C" x2="0.6907" y2="-1.4636"/><atom id="a26" elementType="O" x2="0.6907" y2="-2.2886"/><atom id="a27" elementType="N" x2="-0.0237" y2="-1.0511"/><atom id="a28" elementType="C" x2="-0.0237" y2="-0.2261"/><atom id="a29" elementType="N" x2="-0.7382" y2="0.1862"/><atom id="a30" elementType="C" x2="-1.4525" y2="-0.2261"/><atom id="a31" elementType="C" x2="-1.4525" y2="-1.0511"/><atom id="a32" elementType="C" x2="-2.1671" y2="0.1862"/><atom id="a33" elementType="N" x2="-2.1671" y2="1.0112"/><atom id="a34" elementType="C" x2="-2.8815" y2="1.4236"/><atom id="a35" elementType="O" x2="-2.8815" y2="2.2487"/><atom id="a36" elementType="C" x2="-3.596" y2="1.0112"/><atom id="a37" elementType="C" x2="-4.3106" y2="1.4236"/><atom id="a38" elementType="C" x2="-1.4525" y2="1.4237"/><atom id="a39" elementType="C" x2="-0.738" y2="1.0113"/><atom id="a40" elementType="C" x2="0.6907" y2="0.1863"/><atom id="a41" elementType="C" x2="0.6773" y2="1.0455"/></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="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="2"/><bond id="b8" atomRefs2="a8 a9" order="1"/><bond id="b9" atomRefs2="a9 a10" order="2"/><bond id="b10" atomRefs2="a10 a11" order="1"/><bond id="b11" atomRefs2="a3 a12" order="1"/><bond id="b12" atomRefs2="a12 a13" order="2"/><bond id="b13" atomRefs2="a14 a13" order="1"><bondStereo>W</bondStereo></bond><bond id="b14" atomRefs2="a14 a15" order="1"/><bond id="b15" atomRefs2="a15 a16" order="2"/><bond id="b16" atomRefs2="a16 a17" order="1"/><bond id="b17" atomRefs2="a17 a18" order="1"/><bond id="b18" atomRefs2="a17 a19" order="1"/><bond id="b19" atomRefs2="a16 a20" order="1"/><bond id="b20" atomRefs2="a20 a21" order="2"/><bond id="b21" atomRefs2="a21 a22" order="1"/><bond id="b22" atomRefs2="a22 a23" order="2"/><bond id="b23" atomRefs2="a23 a24" order="1"/><bond id="b24" atomRefs2="a14 a25" order="1"><bondStereo>W</bondStereo></bond><bond id="b25" atomRefs2="a25 a26" order="2"/><bond id="b26" atomRefs2="a25 a27" order="1"/><bond id="b27" atomRefs2="a27 a28" order="2"/><bond id="b28" atomRefs2="a28 a29" order="1"/><bond id="b29" atomRefs2="a29 a30" order="1"/><bond id="b30" atomRefs2="a30 a31" order="1"><bondStereo>H</bondStereo></bond><bond id="b31" atomRefs2="a30 a32" order="1"/><bond id="b32" atomRefs2="a32 a33" order="1"/><bond id="b33" atomRefs2="a33 a34" order="1"/><bond id="b34" atomRefs2="a34 a35" order="2"/><bond id="b35" atomRefs2="a34 a36" order="1"/><bond id="b36" atomRefs2="a36 a37" order="2"/><bond id="b37" atomRefs2="a33 a38" order="1"/><bond id="b38" atomRefs2="a38 a39" order="1"/><bond id="b39" atomRefs2="a28 a40" order="1"/><bond id="b40" atomRefs2="a40 a41" order="2"/><bond id="b41" atomRefs2="a41 a2" order="1"/><bond id="b42" atomRefs2="a10 a4" order="1"/><bond id="b43" atomRefs2="a40 a13" order="1"/><bond id="b44" atomRefs2="a23 a15" order="1"/><bond id="b45" atomRefs2="a39 a29" order="1"/></bondArray></molecule></MChemicalStruct></MDocument></cml>