# 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 ST1 ST1 '4-(ACETYLAMINO)-3-HYDROXY-5-NITROBEN' non-polymer 25 17 M # data_comp_ST1 # 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 ST1 'C'' C . 0.000 ST1 'O1'' O . 0.000 ST1 'O2'' O . 0.000 ST1 C1 C . 0.000 ST1 C2 C . 0.000 ST1 C3 C . 0.000 ST1 O3 O . 0.000 ST1 C4 C . 0.000 ST1 N4 N . 0.000 ST1 'C4'' C . 0.000 ST1 'O4'' O . 0.000 ST1 CM4 C . 0.000 ST1 C5 C . 0.000 ST1 N5 N . 0.000 ST1 ON1 O . 0.000 ST1 ON2 O . 0.000 ST1 C6 C . 0.000 ST1 'HO2'' H . 0.000 ST1 H2 H . 0.000 ST1 HO3 H . 0.000 ST1 HN4 H . 0.000 ST1 HM41 H . 0.000 ST1 HM42 H . 0.000 ST1 HM43 H . 0.000 ST1 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 ST1 'C'' C1 single ST1 'C'' 'O1'' double ST1 'C'' 'O2'' single ST1 'O2'' 'HO2'' single ST1 C1 C2 double ST1 C1 C6 single ST1 C2 C3 single ST1 C2 H2 single ST1 C3 C4 double ST1 C3 O3 single ST1 O3 HO3 single ST1 C4 C5 single ST1 C4 N4 single ST1 N4 'C4'' single ST1 N4 HN4 single ST1 'C4'' 'O4'' double ST1 'C4'' CM4 single ST1 CM4 HM41 single ST1 CM4 HM42 single ST1 CM4 HM43 single ST1 C5 C6 double ST1 C5 N5 single ST1 N5 ON1 double ST1 N5 ON2 double ST1 C6 H6 single