# 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 2AB 2AB '4-(2-AMINOETHYL)BENZENESULFONIC ACID' non-polymer 23 12 M # data_comp_2AB # 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 2AB C1 C . 0.000 2AB C2 C . 0.000 2AB C3 C . 0.000 2AB C4 C . 0.000 2AB C5 C . 0.000 2AB C6 C . 0.000 2AB N9 N . 0.000 2AB S10 S . 0.000 2AB O12 O . 0.000 2AB O11 O . 0.000 2AB C7 C . 0.000 2AB C8 C . 0.000 2AB H11 H . 0.000 2AB H12 H . 0.000 2AB H21 H . 0.000 2AB H22 H . 0.000 2AB HN91 H . 0.000 2AB HN92 H . 0.000 2AB H4 H . 0.000 2AB H5 H . 0.000 2AB H7 H . 0.000 2AB H8 H . 0.000 2AB HO12 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 2AB C1 C2 single 2AB C1 N9 single 2AB C1 H11 single 2AB C1 H12 single 2AB C2 C3 single 2AB C2 H21 single 2AB C2 H22 single 2AB C3 C4 double 2AB C3 C8 single 2AB C4 C5 single 2AB C4 H4 single 2AB C5 C6 double 2AB C5 H5 single 2AB C6 S10 single 2AB C6 C7 single 2AB N9 HN91 single 2AB N9 HN92 single 2AB S10 O12 single 2AB S10 O11 double 2AB O12 HO12 single 2AB C7 C8 double 2AB C7 H7 single 2AB C8 H8 single