File: Mrtx1719_atrop1.cxsmi.expected3.cxsmi

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Cn1ncc(-c2ccc3c(=O)[nH]nc(CN)c3c2)c1-c1c(F)c(Cl)cc(OC2CC2)c1C#N |(-1.9219,0.6678,;-1.1363,0.9197,;-0.8784,1.7034,;-0.0533,1.7003,;0.1985,0.9146,;0.9821,0.6566,;1.5571,0.0181,;2.3964,0.2031,;2.6493,1.0245,;3.4562,1.196,;4.0082,0.5829,;3.7112,1.9806,;3.1591,2.5937,;2.3522,2.4222,;1.8001,3.0353,;2.0551,3.8199,;2.0972,1.6376,;1.254,1.4719,;-0.4707,0.4321,;-0.474,-0.3926,;0.2388,-0.808,;0.955,-0.3981,;0.2357,-1.6329,;0.9486,-2.0481,;-0.4803,-2.0427,;-1.1932,-1.6273,;-1.9093,-2.0371,;-1.9124,-2.8622,;-2.3276,-3.5751,;-1.5026,-3.5781,;-1.1899,-0.8024,;-1.9029,-0.3871,;-2.6157,0.0279,),wU:19.22|