“…Close contact between N(7) and the C(A1) eliminates B and D.21 •22 In this structure, the conformation of the side chain is such that the N (7) and N(6) sites of the adenine are available for hydrogen bonding. While positions of the hydrogen atoms in this structure are ambiguous, consideration of the bond angles and distances of the carboxyl and adenine groups as well as of the hydrogen bonding scheme leads to the conclusion that the adenine is not protonated and the carboxyl has a hydrogen atom on O(CBXl).…”