File: Sotorasib_atrop5.mrv

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rdkit 202503.1-5
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<cml xmlns="http://www.chemaxon.com" version="ChemAxon file format v20.20.0, generated by vunknown" 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" absStereo="true"><atomArray><atom id="a1" elementType="F" x2="2.640992087788698" y2="4.303790569068521" lonePair="3"/><atom id="a2" elementType="F" x2="6.69710799251124" y2="0.4119201086748873" lonePair="3"/><atom id="a3" elementType="O" x2="-5.378105089019881" y2="4.197031030254731" lonePair="2"/><atom id="a4" elementType="O" x2="1.2891400954315573" y2="-4.271501407853862" lonePair="2"/><atom id="a5" elementType="O" x2="4.047903632506097" y2="5.041401928145619" lonePair="2"/><atom id="a6" elementType="N" x2="-1.377795306859093" y2="0.3475284287959403" lonePair="1"/><atom id="a7" elementType="N" x2="-4.044730709149743" y2="1.8873294693794567" lonePair="1"/><atom id="a8" elementType="N" x2="2.6223278327513215" y2="-1.9617998469785864" lonePair="1"/><atom id="a9" elementType="N" x2="-0.04423428443858101" y2="-1.9617998469785864" lonePair="1"/><atom id="a10" elementType="N" x2="4.0236401009575085" y2="0.35798041161687083" lonePair="1"/><atom id="a11" elementType="N" x2="6.622824257462484" y2="-2.731700367270345" lonePair="1"/><atom id="a12" elementType="C" x2="-2.710983044178857" y2="-0.4219988063950703"/><atom id="a13" elementType="C" x2="-4.044730709149743" y2="0.3475284287959403"/><atom id="a14" elementType="C" x2="-1.3774220217583453" y2="1.8875161119298305"/><atom id="a15" elementType="C" x2="-2.710983044178857" y2="2.6572299896712144"/><atom id="a16" elementType="C" x2="-0.04423428443858101" y2="-0.4219988063950703"/><atom id="a17" elementType="C" x2="-2.710983044178857" y2="-1.9617998469785864"/><atom id="a18" elementType="C" x2="1.2891400954315573" y2="0.347715071346314"/><atom id="a19" elementType="C" x2="-5.378105089019881" y2="2.6570433471208412"/><atom id="a20" elementType="C" x2="2.6223278327513215" y2="-0.4218121638446966"/><atom id="a21" elementType="C" x2="3.9560754977222077" y2="-2.731700367270345"/><atom id="a22" elementType="C" x2="1.2891400954315573" y2="-2.731700367270345"/><atom id="a23" elementType="C" x2="1.2641299936814734" y2="1.951347864157656"/><atom id="a24" elementType="C" x2="5.289636520142719" y2="-1.9617998469785864"/><atom id="a25" elementType="C" x2="6.279215322224393" y2="-0.7820322860660525"/><atom id="a26" elementType="C" x2="-6.711666111440393" y2="1.8873294693794567"/><atom id="a27" elementType="C" x2="2.6471512919510314" y2="2.763802885934631"/><atom id="a28" elementType="C" x2="3.9560754977222077" y2="-4.271501407853862"/><atom id="a29" elementType="C" x2="4.035958509282176" y2="1.9619864895289603"/><atom id="a30" elementType="C" x2="7.795686044011188" y2="-1.0493044182012763"/><atom id="a31" elementType="C" x2="5.752510045069643" y2="0.664447479330584"/><atom id="a32" elementType="C" x2="5.289449877592346" y2="-5.041401928145619"/><atom id="a33" elementType="C" x2="5.372692455059043" y2="2.726847660960627"/><atom id="a34" elementType="C" x2="2.6223278327513215" y2="-5.041401928145619"/><atom id="a35" elementType="C" x2="6.622824257462484" y2="-4.271501407853862"/><atom id="a36" elementType="C" x2="-8.045413776411278" y2="2.6570433471208412"/><atom id="a37" elementType="C" x2="5.378291731570255" y2="4.266275416443396"/><atom id="a38" elementType="C" x2="6.7028939115728265" y2="1.951721149258404"/><atom id="a39" elementType="C" x2="6.715025677347121" y2="5.0311365878750625"/><atom id="a40" elementType="C" x2="8.039441214799318" y2="2.7163956781396967"/><atom id="a41" elementType="C" x2="8.045413776411278" y2="4.256196718723213"/></atomArray><bondArray><bond id="b1" atomRefs2="a1 a27" order="1"/><bond id="b2" atomRefs2="a2 a38" order="1"/><bond id="b3" atomRefs2="a3 a19" order="2"/><bond id="b4" atomRefs2="a4 a22" order="2"/><bond id="b5" atomRefs2="a5 a37" order="1"/><bond id="b6" atomRefs2="a6 a12" order="1"/><bond id="b7" atomRefs2="a6 a14" order="1"/><bond id="b8" atomRefs2="a6 a16" order="1"/><bond id="b9" atomRefs2="a7 a13" order="1"/><bond id="b10" atomRefs2="a7 a15" order="1"/><bond id="b11" atomRefs2="a7 a19" order="1"/><bond id="b12" atomRefs2="a8 a20" order="1"><bondStereo>H</bondStereo></bond><bond id="b13" atomRefs2="a8 a21" order="1"/><bond id="b14" atomRefs2="a8 a22" order="1"><bondStereo>W</bondStereo></bond><bond id="b15" atomRefs2="a9 a16" order="2"/><bond id="b16" atomRefs2="a9 a22" order="1"/><bond id="b17" atomRefs2="a10 a20" order="2"/><bond id="b18" atomRefs2="a10 a29" order="1"/><bond id="b19" atomRefs2="a11 a24" order="1"/><bond id="b20" atomRefs2="a11 a35" order="2"/><bond id="b21" atomRefs2="a12 a13" order="1"/><bond id="b22" atomRefs2="a12 a17" order="1"><bondStereo>H</bondStereo></bond><bond id="b23" atomRefs2="a14 a15" order="1"/><bond id="b24" atomRefs2="a16 a18" order="1"/><bond id="b25" atomRefs2="a18 a20" order="1"/><bond id="b26" atomRefs2="a18 a23" order="2"/><bond id="b27" atomRefs2="a19 a26" order="1"/><bond id="b28" atomRefs2="a21 a24" order="2"/><bond id="b29" atomRefs2="a21 a28" order="1"/><bond id="b30" atomRefs2="a23 a27" order="1"/><bond id="b31" atomRefs2="a24 a25" order="1"/><bond id="b32" atomRefs2="a25 a30" order="1"/><bond id="b33" atomRefs2="a25 a31" order="1"/><bond id="b34" atomRefs2="a26 a36" order="2"/><bond id="b35" atomRefs2="a27 a29" order="2"/><bond id="b36" atomRefs2="a28 a32" order="2"/><bond id="b37" atomRefs2="a28 a34" order="1"/><bond id="b38" atomRefs2="a29 a33" order="1"/><bond id="b39" atomRefs2="a32 a35" order="1"/><bond id="b40" atomRefs2="a33 a37" order="2"/><bond id="b41" atomRefs2="a33 a38" order="1"/><bond id="b42" atomRefs2="a37 a39" order="1"/><bond id="b43" atomRefs2="a38 a40" order="2"/><bond id="b44" atomRefs2="a39 a41" order="2"/><bond id="b45" atomRefs2="a40 a41" order="1"/></bondArray></molecule></MChemicalStruct><MElectronContainer occupation="0 0" radical="0" id="o1"><MElectron atomRefs="m1.a1" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a1" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o2"><MElectron atomRefs="m1.a1" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a1" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o3"><MElectron atomRefs="m1.a1" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a1" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o4"><MElectron atomRefs="m1.a2" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a2" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o5"><MElectron atomRefs="m1.a2" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a2" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o6"><MElectron atomRefs="m1.a2" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a2" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o7"><MElectron atomRefs="m1.a3" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a3" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o8"><MElectron atomRefs="m1.a3" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a3" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o9"><MElectron atomRefs="m1.a4" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a4" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o10"><MElectron atomRefs="m1.a4" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a4" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o11"><MElectron atomRefs="m1.a5" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a5" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o12"><MElectron atomRefs="m1.a5" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a5" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o13"><MElectron atomRefs="m1.a6" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a6" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o14"><MElectron atomRefs="m1.a7" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a7" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o15"><MElectron atomRefs="m1.a8" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a8" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o16"><MElectron atomRefs="m1.a9" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a9" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o17"><MElectron atomRefs="m1.a10" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a10" difLoc="0.0 0.0 0.0"/></MElectronContainer><MElectronContainer occupation="0 0" radical="0" id="o18"><MElectron atomRefs="m1.a11" difLoc="0.0 0.0 0.0"/><MElectron atomRefs="m1.a11" difLoc="0.0 0.0 0.0"/></MElectronContainer></MDocument></cml>