File: JDQ443_atrop1.cxsmi.expected3.cxsmi

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C=CC(=O)N1CC2(CC(n3nc(-c4ccc5c(cnn5C)c4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1 |(3.6401,6.6649,;3.1551,5.9974,;2.3346,6.0837,;1.9992,6.8374,;1.8497,5.4162,;1.0348,5.2872,;1.164,4.4723,;0.3491,4.3433,;0.478,3.5284,;-0.0066,2.861,;0.2482,2.0765,;-0.4191,1.5915,;-0.0067,0.8771,;-0.4193,0.1625,;-0.0067,-0.5518,;0.8182,-0.5518,;1.2308,0.1626,;2.0325,-0.01,;2.1174,-0.8258,;1.3686,-1.1598,;1.1985,-1.9672,;0.8182,0.877,;-1.0865,2.0764,;-1.8712,1.8214,;-2.4843,2.3736,;-2.3128,3.1804,;-3.2689,2.1186,;-3.882,2.6705,;-3.4405,1.3115,;-2.8273,0.7596,;-2.8254,-0.0605,;-2.0451,-0.3132,;-1.5624,0.3498,;-2.0427,1.0145,;-0.8316,2.861,;-1.3166,3.5284,;1.2929,3.6576,;1.9788,4.6014,),wU:23.35|