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Calculated conformers of gly: a) anti and gauche rotamers of neutral gly; b) eclipsed and staggered rotamers of zwitterionic gly; c) non-planar conformer (ξ = 60°) of zwitterionic gly; d) eclipsed zwitterionic gly hydrogen bonded to the acceptor water molecule, e) eclipsed zwitterionic gly hydrogen bonded to the donor water molecule, f) eclipsed zwitterionic gly hydrogen bonded simultaneously to the acceptor and donor water molecules. All conformers except c) are planar ξ = 0°.
