# 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 N4H N4H '4-HYDROXY-3-NITROPHENYLACETYL-EPSILO' non-polymer 40 22 M # data_comp_N4H # 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 N4H 'C1'' C . 0.000 N4H 'C2'' C . 0.000 N4H 'C3'' C . 0.000 N4H 'C4'' C . 0.000 N4H 'O4'' O . 0.000 N4H 'C5'' C . 0.000 N4H 'N5'' N . 0.000 N4H ON1 O . 0.000 N4H ON2 O . 0.000 N4H 'C6'' C . 0.000 N4H C1 C . 0.000 N4H C2 C . 0.000 N4H O2 O . 0.000 N4H N3 N . 0.000 N4H C4 C . 0.000 N4H C5 C . 0.000 N4H C6 C . 0.000 N4H C7 C . 0.000 N4H C8 C . 0.000 N4H C9 C . 0.000 N4H O3 O . 0.000 N4H O4 O . 0.000 N4H 'H2'' H . 0.000 N4H 'H3'' H . 0.000 N4H 'HO4'' H . 0.000 N4H 'H6'' H . 0.000 N4H H11 H . 0.000 N4H H12 H . 0.000 N4H HN3 H . 0.000 N4H H41 H . 0.000 N4H H42 H . 0.000 N4H H51 H . 0.000 N4H H52 H . 0.000 N4H H61 H . 0.000 N4H H62 H . 0.000 N4H H71 H . 0.000 N4H H72 H . 0.000 N4H H81 H . 0.000 N4H H82 H . 0.000 N4H HO4 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 N4H 'C1'' 'C2'' double N4H 'C1'' 'C6'' single N4H 'C1'' C1 single N4H 'C2'' 'C3'' single N4H 'C2'' 'H2'' single N4H 'C3'' 'C4'' double N4H 'C3'' 'H3'' single N4H 'C4'' 'C5'' single N4H 'C4'' 'O4'' single N4H 'O4'' 'HO4'' single N4H 'C5'' 'C6'' double N4H 'C5'' 'N5'' single N4H 'N5'' ON1 double N4H 'N5'' ON2 double N4H 'C6'' 'H6'' single N4H C1 C2 single N4H C1 H11 single N4H C1 H12 single N4H C2 N3 single N4H C2 O2 double N4H N3 C4 single N4H N3 HN3 single N4H C4 C5 single N4H C4 H41 single N4H C4 H42 single N4H C5 C6 single N4H C5 H51 single N4H C5 H52 single N4H C6 C7 single N4H C6 H61 single N4H C6 H62 single N4H C7 C8 single N4H C7 H71 single N4H C7 H72 single N4H C8 C9 single N4H C8 H81 single N4H C8 H82 single N4H C9 O3 double N4H C9 O4 single N4H O4 HO4 single