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Conformers of the BHAP keto-amine forms: (A), keto-amine forms structurally related to the E-enol-imine tautomer; (B), keto-amine forms structurally related to the Z-enol-imine tautomer. B3LYP/6-311++G(d,p) calculated optimized Cartesian coordinates of each conformer are provided in the Supporting Information Table S1. The conformationally relevant dihedral angles α, β, ϒ are indicated over the structure of conformer I (A). Note that all conformers have a symmetry related structure.
