File: Mrtx1719_atropBad1.cxsmi.expected2.cxsmi

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Clc1cc(OC2CC2)c(C#N)c(-c2c(-c3cc4c(cc3)c(=O)[nH]nc4CN)cnn2C)c1F |(0.2523,-2.169,;-0.4605,-1.7538,;-1.1765,-2.1636,;-1.8894,-1.7482,;-2.6055,-2.158,;-2.6086,-2.9831,;-3.0238,-3.696,;-2.1988,-3.699,;-1.8861,-0.9233,;-2.5991,-0.508,;-3.3119,-0.093,;-1.1702,-0.5135,;-1.1669,0.3111,;-0.4977,0.7936,;0.2858,0.5356,;0.5577,1.351,;1.4009,1.5166,;1.953,0.9035,;1.7001,0.0821,;0.8608,-0.1028,;2.7599,1.075,;3.3119,0.4619,;3.0149,1.8597,;2.4628,2.4728,;1.6559,2.3013,;1.1038,2.9143,;1.3588,3.699,;-0.7495,1.5793,;-1.5746,1.5825,;-1.8325,0.7987,;-2.6181,0.5468,;-0.4574,-0.9289,;0.2587,-0.519,)|