# 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 SAB SAB '4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BEN' non-polymer 35 18 M # data_comp_SAB # 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 SAB C1 C . 0.000 SAB C2 C . 0.000 SAB C3 C . 0.000 SAB C4 C . 0.000 SAB C5 C . 0.000 SAB C6 C . 0.000 SAB C7 C . 0.000 SAB O7 O . 0.000 SAB N N . 0.000 SAB 'C1'' C . 0.000 SAB 'C2'' C . 0.000 SAB 'C3'' C . 0.000 SAB 'C4'' C . 0.000 SAB 'N4'' N . 0.000 SAB S S . 0.000 SAB O1S O . 0.000 SAB O2S O . 0.000 SAB N3S N . 0.000 SAB H2 H . 0.000 SAB H3 H . 0.000 SAB H5 H . 0.000 SAB H6 H . 0.000 SAB HN H . 0.000 SAB 'H1'1' H . 0.000 SAB 'H1'2' H . 0.000 SAB 'H2'1' H . 0.000 SAB 'H2'2' H . 0.000 SAB 'H3'1' H . 0.000 SAB 'H3'2' H . 0.000 SAB 'H4'1' H . 0.000 SAB 'H4'2' H . 0.000 SAB HN41 H . 0.000 SAB HN42 H . 0.000 SAB HN31 H . 0.000 SAB HN32 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 SAB C1 C2 double SAB C1 C6 single SAB C1 C7 single SAB C2 C3 single SAB C2 H2 single SAB C3 C4 double SAB C3 H3 single SAB C4 C5 single SAB C4 S single SAB C5 C6 double SAB C5 H5 single SAB C6 H6 single SAB C7 N single SAB C7 O7 double SAB N 'C1'' single SAB N HN single SAB 'C1'' 'C2'' single SAB 'C1'' 'H1'1' single SAB 'C1'' 'H1'2' single SAB 'C2'' 'C3'' single SAB 'C2'' 'H2'1' single SAB 'C2'' 'H2'2' single SAB 'C3'' 'C4'' single SAB 'C3'' 'H3'1' single SAB 'C3'' 'H3'2' single SAB 'C4'' 'N4'' single SAB 'C4'' 'H4'1' single SAB 'C4'' 'H4'2' single SAB 'N4'' HN41 single SAB 'N4'' HN42 single SAB S O1S double SAB S O2S double SAB S N3S single SAB N3S HN31 single SAB N3S HN32 single