# 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 IPN IPN '2-AMINOETHYLGLYCINE-CARBONYLMETHYLEN' non-polymer 34 20 M # data_comp_IPN # 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 IPN 'C8'' C . 0.000 IPN 'C7'' C . 0.000 IPN 'O7'' O . 0.000 IPN 'C5'' C . 0.000 IPN 'C'' C . 0.000 IPN 'O1'' O . 0.000 IPN 'O2'' O . 0.000 IPN 'N4'' N . 0.000 IPN 'C3'' C . 0.000 IPN 'C2'' C . 0.000 IPN 'N1'' N . 1.000 IPN N1 N . 0.000 IPN C6 C . 0.000 IPN C2 C . 0.000 IPN O2 O . 0.000 IPN N3 N . 0.000 IPN C4 C . 0.000 IPN O4 O . 0.000 IPN C5 C . 0.000 IPN I5 I . 0.000 IPN 'H1'1' H . 0.000 IPN 'H1'2' H . 0.000 IPN 'H1'3' H . 0.000 IPN 'H2'1' H . 0.000 IPN 'H2'2' H . 0.000 IPN 'HO2'' H . 0.000 IPN 'H3'1' H . 0.000 IPN 'H3'2' H . 0.000 IPN 'H5'1' H . 0.000 IPN 'H5'2' H . 0.000 IPN 'H8'1' H . 0.000 IPN 'H8'2' H . 0.000 IPN H6 H . 0.000 IPN HN3 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 IPN 'C8'' 'C7'' single IPN 'C8'' N1 single IPN 'C8'' 'H8'1' single IPN 'C8'' 'H8'2' single IPN 'C7'' 'N4'' single IPN 'C7'' 'O7'' double IPN 'C5'' 'N4'' single IPN 'C5'' 'C'' single IPN 'C5'' 'H5'1' single IPN 'C5'' 'H5'2' single IPN 'C'' 'O1'' double IPN 'C'' 'O2'' single IPN 'O2'' 'HO2'' single IPN 'N4'' 'C3'' single IPN 'C3'' 'C2'' single IPN 'C3'' 'H3'1' single IPN 'C3'' 'H3'2' single IPN 'C2'' 'N1'' single IPN 'C2'' 'H2'1' single IPN 'C2'' 'H2'2' single IPN 'N1'' 'H1'1' single IPN 'N1'' 'H1'2' single IPN 'N1'' 'H1'3' single IPN N1 C2 single IPN N1 C6 single IPN C6 C5 double IPN C6 H6 single IPN C2 N3 single IPN C2 O2 double IPN N3 C4 single IPN N3 HN3 single IPN C4 C5 single IPN C4 O4 double IPN C5 I5 single