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The results indicate that the angular characteristics of the molecular electrostatic potential around functional groups capable of forming hydrogen bonds can be considerably distorted within various models relying upon isotropic atomic charges only. It is shown that these defects can be corrected by augmenting the atomic point charge models by cumulative atomic multipole moments (CAMMs). Alternatively, sets of off\u2010center atomic point charges could be automatically derived from respective multipoles, providing approximately equivalent corrections. For the first time, correlated atomic multipoles have been calculated for <jats:italic>N<\/jats:italic>\u2010acetyl, <jats:italic>N<\/jats:italic>\u2032\u2010methylamide\u2010blocked derivatives of glycine, alanine, cysteine, threonine, leucine, lysine, and serine using the MP2 method. 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