# 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 CPN CPN '2-AMINOETHYLGLYCINE-CARBONYLMETHYLEN' non-polymer 35 19 M # data_comp_CPN # 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 CPN 'C8'' C . 0.000 CPN 'C7'' C . 0.000 CPN 'O7'' O . 0.000 CPN 'C5'' C . 0.000 CPN 'C'' C . 0.000 CPN 'O1'' O . 0.000 CPN OXT O . 0.000 CPN 'N4'' N . 0.000 CPN 'C3'' C . 0.000 CPN 'C2'' C . 0.000 CPN 'N1'' N . 1.000 CPN N1 N . 0.000 CPN C2 C . 0.000 CPN N3 N . 0.000 CPN C4 C . 0.000 CPN C5 C . 0.000 CPN C6 C . 0.000 CPN O2 O . 0.000 CPN N4 N . 0.000 CPN 'H1'1' H . 0.000 CPN 'H1'2' H . 0.000 CPN 'H1'3' H . 0.000 CPN 'H2'1' H . 0.000 CPN 'H2'2' H . 0.000 CPN HXT H . 0.000 CPN 'H3'1' H . 0.000 CPN 'H3'2' H . 0.000 CPN 'H5'1' H . 0.000 CPN 'H5'2' H . 0.000 CPN 'H8'1' H . 0.000 CPN 'H8'2' H . 0.000 CPN HN41 H . 0.000 CPN HN42 H . 0.000 CPN H5 H . 0.000 CPN H6 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 CPN 'C8'' 'C7'' single CPN 'C8'' N1 single CPN 'C8'' 'H8'1' single CPN 'C8'' 'H8'2' single CPN 'C7'' 'N4'' single CPN 'C7'' 'O7'' double CPN 'C5'' 'N4'' single CPN 'C5'' 'C'' single CPN 'C5'' 'H5'1' single CPN 'C5'' 'H5'2' single CPN 'C'' 'O1'' double CPN 'C'' OXT single CPN OXT HXT single CPN 'N4'' 'C3'' single CPN 'C3'' 'C2'' single CPN 'C3'' 'H3'1' single CPN 'C3'' 'H3'2' single CPN 'C2'' 'N1'' single CPN 'C2'' 'H2'1' single CPN 'C2'' 'H2'2' single CPN 'N1'' 'H1'1' single CPN 'N1'' 'H1'2' single CPN 'N1'' 'H1'3' single CPN N1 C2 single CPN N1 C6 single CPN C2 N3 single CPN C2 O2 double CPN N3 C4 double CPN C4 C5 single CPN C4 N4 single CPN C5 C6 double CPN C5 H5 single CPN C6 H6 single CPN N4 HN41 single CPN N4 HN42 single