File: JDQ443_atrop2.sdf.expected.cxsmi

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ClC1=C(C2=C(C)N(C3CC4(C3)CN(C(=O)C=C)C4)N=C2C2=CC3=C(N(C)N=C3)C=C2)C2=C(NN=C2)C=C1C |(-1.9176,-2.5441,;-1.2032,-2.9565,;-0.4887,-2.5441,;-0.4887,-1.719,;-1.1562,-1.2342,;-1.9408,-1.4892,;-0.9012,-0.4495,;-1.3861,0.2176,;-2.201,0.3469,;-2.0719,1.1617,;-1.2571,1.0326,;-2.8867,1.2907,;-2.7576,2.1055,;-3.2427,2.7729,;-4.0632,2.6869,;-2.907,3.5266,;-3.392,4.1941,;-1.9429,1.9765,;-0.0763,-0.4495,;0.1786,-1.2342,;0.9855,-1.0627,;1.2405,-0.2781,;2.0475,-0.1064,;2.5995,-0.7197,;3.3479,-0.384,;4.0632,-0.7954,;3.2616,0.4312,;2.4594,0.6025,;2.3445,-1.5043,;1.5376,-1.6759,;0.2257,-2.9565,;0.2257,-3.7815,;1.0063,-4.0332,;1.4878,-3.3691,;1.0063,-2.7052,;-0.4887,-4.1941,;-1.2032,-3.7815,;-1.9176,-4.1941,),wU:2.34|