File: macrocycle-9-meta-broken-hash.sdf.expected.cxsmi

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C1=C(C2=CC(Cl)=CC(F)=C2)C(F)=CC=C1CCCCCCCCC |(0.711991,0.205534,;0.711991,-0.616602,;0,-1.02767,;-0.711989,-0.616602,;-1.42398,-1.02767,;-2.13597,-0.616602,;-1.42398,-1.84981,;-0.711989,-2.26087,;-0.711989,-3.08301,;0,-1.84981,;1.42398,-1.02767,;1.42398,-1.84981,;2.13597,-0.61661,;2.13597,0.205527,;1.42398,0.616602,;1.42398,1.43874,;0.711991,1.8498,;0.711991,2.67194,;0,3.08301,;-0.711989,2.67194,;-0.711989,1.8498,;-1.42398,1.43874,;-1.42398,0.616602,;-0.711989,0.205534,),wD:2.9|