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Lowest-energy conformers of a) trans-(2S,15aS)-7a (>99.9%) with the replacement of the N-methyl groups by hydrogen atoms; b) trans-(2S,15aS)-7b (97.9%) obtained by the B3LYP/6-31G(d) reoptimization of the initial MMFF conformers. Boltzmann weights for the same conformers in the PCM calculations are 99.8% and 95.8%, respectively.
