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Gas-phase structures of DCE undergoing nucleophilic attack by acetate. Structures in A have no dihedral constraints. Structures in B have dihedral constraints to restrict the attacking geometry of acetate to one similar to the enzyme. Parenthetical values are in angstroms and correspond to the distance between the attacking carboxylate oxygen of acetate to the carbon of DCE to the carbon of DCE and the leaving chloride (C⋅⋅⋅O, C⋅⋅⋅Cl).
