File: mrtx1719_3d.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="Cl" x3="4.303039965575681" y3="1.0987199912102397" z3="3.272453307153707" lonePair="3"/><atom id="a2" elementType="F" x3="0.9605866589819738" y3="1.2907999896735998" z3="3.74751997001984" lonePair="3"/><atom id="a3" elementType="O" x3="2.965573309608747" y3="4.079973300693546" z3="-1.5364533210417068" lonePair="2"/><atom id="a4" elementType="O" x3="-2.3077599815379193" y3="-4.012586634565974" z3="-3.1419733081975467" lonePair="2"/><atom id="a5" elementType="N" x3="-1.8920533181969061" y3="3.776826636452053" z3="2.7755466444622936" lonePair="1"/><atom id="a6" elementType="N" x3="-3.3922933061949863" y3="3.5406933050077862" 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order="1"/><bond id="b5" atomRefs2="a4 a32" order="2"/><bond id="b6" atomRefs2="a5 a6" order="1"/><bond id="b7" atomRefs2="a5 a17" order="1"/><bond id="b8" atomRefs2="a5 a31" order="1"/><bond id="b9" atomRefs2="a6 a25" order="2"/><bond id="b10" atomRefs2="a7 a8" order="1"/><bond id="b11" atomRefs2="a7 a32" order="1"/><bond id="b12" atomRefs2="a7 a49" order="1"/><bond id="b13" atomRefs2="a8 a29" order="2"/><bond id="b14" atomRefs2="a9 a33" order="1"/><bond id="b15" atomRefs2="a9 a50" order="1"/><bond id="b16" atomRefs2="a9 a51" order="1"/><bond id="b17" atomRefs2="a10 a30" order="3"/><bond id="b18" atomRefs2="a11 a12" order="1"/><bond id="b19" atomRefs2="a11 a13" order="1"/><bond id="b20" atomRefs2="a11 a34" order="1"/><bond id="b21" atomRefs2="a12 a13" order="1"/><bond id="b22" atomRefs2="a12 a35" order="1"/><bond id="b23" atomRefs2="a12 a36" order="1"/><bond id="b24" atomRefs2="a13 a37" order="1"/><bond id="b25" atomRefs2="a13 a38" order="1"/><bond id="b26" atomRefs2="a14 a15" order="1"/><bond id="b27" atomRefs2="a14 a18" order="2"/><bond id="b28" atomRefs2="a15 a16" order="2"/><bond id="b29" atomRefs2="a15 a30" order="1"/><bond id="b30" atomRefs2="a16 a17" order="1"/><bond id="b31" atomRefs2="a16 a21" order="1"><bondStereo>W</bondStereo></bond><bond id="b32" atomRefs2="a17 a19" order="2"/><bond id="b33" atomRefs2="a18 a22" order="1"/><bond id="b34" atomRefs2="a18 a39" order="1"/><bond id="b35" atomRefs2="a19 a20" order="1"/><bond id="b36" atomRefs2="a19 a25" order="1"/><bond id="b37" atomRefs2="a20 a24" order="2"/><bond id="b38" atomRefs2="a20 a27" order="1"/><bond id="b39" atomRefs2="a21 a22" order="2"/><bond id="b40" atomRefs2="a23 a24" order="1"/><bond id="b41" atomRefs2="a23 a26" order="2"/><bond id="b42" atomRefs2="a23 a29" order="1"/><bond id="b43" atomRefs2="a24 a40" order="1"/><bond id="b44" atomRefs2="a25 a41" order="1"/><bond id="b45" atomRefs2="a26 a28" order="1"/><bond id="b46" atomRefs2="a26 a32" order="1"/><bond id="b47" atomRefs2="a27 a28" order="2"/><bond id="b48" atomRefs2="a27 a42" order="1"/><bond id="b49" atomRefs2="a28 a43" order="1"/><bond id="b50" atomRefs2="a29 a33" order="1"/><bond id="b51" atomRefs2="a31 a44" order="1"/><bond id="b52" atomRefs2="a31 a45" order="1"/><bond id="b53" atomRefs2="a31 a46" order="1"/><bond id="b54" atomRefs2="a33 a47" order="1"/><bond id="b55" atomRefs2="a33 a48" 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.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="o13"><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="o14"><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="o15"><MElectron 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