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C7-I (a), C7-II (b), C5-I (c) and C5-II (d) minimum energy conformations of Ac-Dbzg-NHMe characterized at the B3LYP/6-31+G(d,p) level. Geometric parameters of both intramolecular hydrogen bonds (dashed lines and roman numbers) and N-H⋯π interactions (arrows and italic numbers) are indicated.
