File: AtropCanon2.cxsmi.kekule_expected.cxsmi

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CC1=C(Cl)C=CC(C)=C1N1C=CC=C1Cl |(1.3902,-0.8192,;1.4425,0.6798,;2.7669,1.3842,;4.039,0.5893,;2.8194,2.8831,;1.5472,3.678,;0.2229,2.9739,;-1.0493,3.7687,;0.1704,1.4748,;-1.154,0.7705,;-1.6175,-0.6561,;-3.1175,-0.6561,;-3.5811,0.7705,;-2.3675,1.6522,;-2.3675,3.1522,),wU:8.8|