File: badWedgeError.sdf.expected.cxsmi

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Cn1cccc1-c1ccccc1 |(7.7427,-6.9786,;8.0512,-6.0277,;9.0026,-5.7194,;9.0026,-4.7188,;8.0512,-4.4101,;7.4649,-5.2189,;6.4644,-5.2189,;5.9647,-4.3533,;4.965,-4.3533,;4.4643,-5.2189,;4.965,-6.0853,;5.9647,-6.0853,),wU:6.12|