# data_comp_list loop_ _chem_comp.id _chem_comp.three_letter_code _chem_comp.name _chem_comp.group _chem_comp.number_atoms_all _chem_comp.number_atoms_nh _chem_comp.desc_level DOH DOH 'BETA-HYDROXY ASPARTIC ACID ' non-polymer 17 10 M # data_comp_DOH # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.type_energy _chem_comp_atom.partial_charge DOH N N . 0.000 DOH CA C . 0.000 DOH C C . 0.000 DOH O O . 0.000 DOH OXT O . 0.000 DOH CB C . 0.000 DOH CG C . 0.000 DOH OG1 O . 0.000 DOH OD1 O . 0.000 DOH OD2 O . 0.000 DOH HN1 H . 0.000 DOH HN2 H . 0.000 DOH HXT H . 0.000 DOH HA H . 0.000 DOH HB H . 0.000 DOH HG1 H . 0.000 DOH HD2 H . 0.000 loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type DOH N CA single DOH N HN1 single DOH N HN2 single DOH CA C single DOH CA CB single DOH CA HA single DOH C O double DOH C OXT single DOH OXT HXT single DOH CB CG single DOH CB OG1 single DOH CB HB single DOH CG OD1 double DOH CG OD2 single DOH OG1 HG1 single DOH OD2 HD2 single