File: NewChiralTest.sdf.expected.cxsmi

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C[C@H]1CC[C@]2(CC1)CC[C@H](Cl)CC2 |(-4.62,0,;-3.08,0,;-2.31,1.3337,;-0.77,1.3337,;0,0,;-0.77,-1.3337,;-2.31,-1.3337,;0.77,1.3337,;2.31,1.3337,;3.08,0,;4.62,0,;2.31,-1.3337,;0.77,-1.3337,),wD:4.3,9.10,wU:1.0|