File: Mrtx1719_3d.cxsmi.expected.cxsmi

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rdkit 202503.1-5
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Clc1c(F)c(-c2c(-c3c([H])c4c(c([H])c3[H])c(=O)n([H])nc4C(N([H])[H])([H])[H])c([H])nn2C([H])([H])[H])c(C#N)c(OC2([H])C([H])([H])C2([H])[H])c1[H] |(2.2986,0.1613,1.7531;1.5977,0.6311,1.1152;0.7645,0.6317,1.315;0.508,0.2642,2.0076;0.1994,1.0122,0.7953;-0.6599,0.9997,1.0213;-1.2702,0.4446,0.8448;-1.166,-0.2887,0.3649;-0.611,-0.8911,0.6192;-0.2862,-0.8082,1.1946;-0.5115,-1.6034,0.151;-0.9657,-1.7097,-0.5658;-1.5215,-1.1069,-0.8212;-1.8806,-1.1793,-1.379;-1.6201,-0.3962,-0.3533;-2.0532,0.0689,-0.5597;-0.851,-2.4652,-1.0488;-1.2429,-2.5769,-1.6832;-0.2887,-3.0216,-0.7466;-0.1821,-3.5545,-1.0523;0.159,-2.9306,-0.0521;0.0629,-2.2677,0.3787;0.5703,-2.1825,1.151;1.2127,-1.5991,0.9615;1.5823,-1.5258,1.4616;0.979,-1.0337,0.8366;0.1937,-1.986,1.6714;0.8408,-2.7777,1.3096;-1.9731,0.7652,1.2334;-2.5889,0.5169,1.248;-1.8239,1.4695,1.6271;-1.0202,1.596,1.4869;-0.6341,2.3193,1.8277;-0.4096,2.6999,1.3226;-1.0831,2.6647,2.1884;-0.1286,2.1254,2.2248;0.4676,1.3922,0.0758;-0.1047,1.7875,-0.4664;-0.5672,2.1069,-0.905;1.3008,1.3917,-0.1241;1.5821,1.7584,-0.8231;2.0093,1.2439,-1.4173;2.5757,0.949,-1.2261;1.4785,0.802,-2.0291;0.8187,0.8791,-1.9944;1.675,0.1989,-2.2295;1.9805,1.5284,-2.2944;2.5135,1.4138,-2.6757;1.6585,2.0941,-2.432;1.866,1.0112,0.3956;2.5168,1.0165,0.2452),wU:4.3|