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52 and by constraining charges to reproduce the dipole moment. The calculated atomic charges of the depsipeptidyl O and the amide H for the conformation tB are-0.6352 and +0.3223 e at the HF/6-31 +G(d) level, respectively, and-0.5606 and +0.2871 e at the B3LYP/6-311 ++G(d,p) level, respectively. The calculated atomic charges of the carbonyl O and the amide H for the conformation tC are-0.6804 and +0.3544 e at the HF/6-31+G(d) level, respectively, and-0.6150 and +0.3411 e at the B3LYP/6-311++G(d,p) level, respectively.
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