# 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 GPN GPN '2-AMINOETHYLGLYCINE-CARBONYLMETHYLEN' non-polymer 38 22 M # data_comp_GPN # 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 GPN 'C8'' C . 0.000 GPN 'C7'' C . 0.000 GPN 'O7'' O . 0.000 GPN 'C5'' C . 0.000 GPN 'C'' C . 0.000 GPN 'O1'' O . 0.000 GPN OXT O . 0.000 GPN 'N4'' N . 0.000 GPN 'C3'' C . 0.000 GPN 'C2'' C . 0.000 GPN 'N1'' N . 1.000 GPN N9 N . 0.000 GPN C8 C . 0.000 GPN N7 N . 0.000 GPN C5 C . 0.000 GPN C6 C . 0.000 GPN O6 O . 0.000 GPN N1 N . 0.000 GPN C2 C . 0.000 GPN N2 N . 0.000 GPN N3 N . 0.000 GPN C4 C . 0.000 GPN 'H1'1' H . 0.000 GPN 'H1'2' H . 0.000 GPN 'H1'3' H . 0.000 GPN 'H2'1' H . 0.000 GPN 'H2'2' H . 0.000 GPN HXT H . 0.000 GPN 'H3'1' H . 0.000 GPN 'H3'2' H . 0.000 GPN 'H5'1' H . 0.000 GPN 'H5'2' H . 0.000 GPN 'H8'1' H . 0.000 GPN 'H8'2' H . 0.000 GPN H8 H . 0.000 GPN HN1 H . 0.000 GPN HN21 H . 0.000 GPN HN22 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 GPN 'C8'' 'C7'' single GPN 'C8'' N9 single GPN 'C8'' 'H8'1' single GPN 'C8'' 'H8'2' single GPN 'C7'' 'N4'' single GPN 'C7'' 'O7'' double GPN 'C5'' 'N4'' single GPN 'C5'' 'C'' single GPN 'C5'' 'H5'1' single GPN 'C5'' 'H5'2' single GPN 'C'' 'O1'' double GPN 'C'' OXT single GPN OXT HXT single GPN 'N4'' 'C3'' single GPN 'C3'' 'C2'' single GPN 'C3'' 'H3'1' single GPN 'C3'' 'H3'2' single GPN 'C2'' 'N1'' single GPN 'C2'' 'H2'1' single GPN 'C2'' 'H2'2' single GPN 'N1'' 'H1'1' single GPN 'N1'' 'H1'2' single GPN 'N1'' 'H1'3' single GPN N9 C8 single GPN N9 C4 single GPN C8 N7 double GPN C8 H8 single GPN N7 C5 single GPN C5 C6 single GPN C5 C4 double GPN C6 O6 double GPN C6 N1 single GPN N1 C2 single GPN N1 HN1 single GPN C2 N2 single GPN C2 N3 double GPN N2 HN21 single GPN N2 HN22 single GPN N3 C4 single