File: AtropManyChirals.cxsmi.expected3.cxsmi

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C=C(n1c(=O)cc[nH]c1=O)[C@@]([C@H](C)F)([C@H](C)Br)[C@@H](C)Cl |(-0.861,-1.0085,;-0.3117,-0.3431,;0.5204,-0.6907,;1.2842,-0.2899,;1.6038,0.5917,;1.9435,-0.5613,;2.0181,-1.3829,;1.344,-1.8584,;0.5951,-1.5123,;0.0595,-2.2018,;-0.5013,0.5405,;0.3347,0.736,;1.118,1.0786,;0.6313,-0.0436,;-0.4918,1.4387,;-0.0783,2.2018,;-1.0961,2.0398,;-1.3746,0.4021,;-1.9327,-0.2608,;-2.0181,0.9732,),wD:10.10,11.12,wU:2.2,14.15,17.18|