File: BMS-986142_atrop5.sdf.expected.cxsmi

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FC1=C(C2=C(C)C(N3C(=O)C4=C(N(C)C3=O)C(F)=CC=C4)=CC=C2)C2=C(NC3=C2CC[C@H](C(O)(C)C)C3)C(C(=O)N)=C1 |(2.7255,0.1923,;2.0126,0.6076,;1.2651,0.1836,;1.2556,-0.6411,;1.9653,-1.0618,;2.6844,-0.6576,;1.9557,-1.8867,;2.9779,-2.2183,;3.5845,-1.6592,;3.4037,-0.8543,;4.372,-1.9051,;4.5528,-2.71,;3.9461,-3.2691,;4.127,-4.074,;3.1587,-3.0232,;2.552,-3.5823,;5.3691,-2.9787,;5.5406,-3.7857,;6.0055,-2.4013,;5.8171,-1.5628,;4.9948,-1.313,;1.2365,-2.291,;0.527,-1.8702,;0.5365,-1.0454,;0.5278,0.6247,;0.5278,1.4497,;-0.2567,1.7046,;-0.7417,1.0372,;-0.2567,0.3698,;-0.5941,-0.4204,;-1.448,-0.5167,;-1.9531,0.1783,;-2.7739,0.0952,;-3.5947,0.0121,;-2.857,0.9159,;-2.6908,-0.7255,;-1.5976,0.9606,;1.2652,1.8908,;1.2556,2.7157,;0.5366,3.1199,;1.9653,3.1365,;2.0127,1.4669,),wD:7.7,31.35,wU:7.14|