File: nonProprietary.mol.expected.cxsmi

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[H]NC(C)C(=O)NC(C)C(=O)NC(C)C(N)=O |(2.7453,0.5608,;0.7182,0.5608,;-1.3632,0.0031,;-1.3632,-0.8218,;-2.0777,0.4156,;-2.0777,1.2406,;-3.9017,-0.0731,;-4.6161,-0.4856,;-4.6161,-1.3106,;-5.3306,-0.0731,;-5.3306,0.7518,;-3.9017,-0.0731,;-4.6161,-0.4856,;-4.6161,-1.3106,;-5.3306,-0.0731,;-7.0052,-0.5216,;-5.3306,0.7518,),,,,Sg:n:4,2,5,3:1:ht:::|