File: atropWedgeTest.sdf.expected.cxsmi

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C1CCC(=O)N(/C(=C(\CC)C)C(Br)Cl)C1=O |(-8.6774,-0.1716,;-8.6774,-1.7116,;-7.3437,-2.4816,;-6.01,-1.7116,;-4.6763,-2.4816,;-6.01,-0.1716,;-4.6764,0.5984,;-3.3427,-0.1716,;-3.3427,-1.7116,;-2.3735,-2.9084,;-2.009,0.5984,;-4.6764,2.1384,;-3.3427,2.9084,;-6.01,2.9084,;-7.3437,0.5984,;-7.3437,2.1384,),wU:5.4|