# 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 TPX TPX '(3R,4S)N-PARA-TOLUENESULPHONYL-3-ETH' non-polymer 38 21 M # data_comp_TPX # 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 TPX C C . 0.000 TPX CA C . 0.000 TPX CB C . 0.000 TPX CC C . 0.000 TPX CD C . 0.000 TPX CE C . 0.000 TPX O O . 0.000 TPX OA O . 0.000 TPX OB O . 0.000 TPX CK C . 0.000 TPX N N . 0.000 TPX OC O . 0.000 TPX OD O . 0.000 TPX S S . 0.000 TPX CF C . 0.000 TPX CG1 C . 0.000 TPX CG2 C . 0.000 TPX CH1 C . 0.000 TPX CH2 C . 0.000 TPX CI C . 0.000 TPX CJ C . 0.000 TPX HA H . 0.000 TPX HB H . 0.000 TPX HD1 H . 0.000 TPX HD2 H . 0.000 TPX HE1 H . 0.000 TPX HE2 H . 0.000 TPX HE3 H . 0.000 TPX HOA H . 0.000 TPX HK1 H . 0.000 TPX HK2 H . 0.000 TPX HG1 H . 0.000 TPX HG2 H . 0.000 TPX HH1 H . 0.000 TPX HH2 H . 0.000 TPX HJ1 H . 0.000 TPX HJ2 H . 0.000 TPX HJ3 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 TPX C CA single TPX C O double TPX C N single TPX CA CB single TPX CA CD single TPX CA HA single TPX CB CC single TPX CB CK single TPX CB HB single TPX CC OA single TPX CC OB double TPX CD CE single TPX CD HD1 single TPX CD HD2 single TPX CE HE1 single TPX CE HE2 single TPX CE HE3 single TPX OA HOA single TPX CK N single TPX CK HK1 single TPX CK HK2 single TPX N S single TPX OC S double TPX OD S double TPX S CF single TPX CF CG1 double TPX CF CG2 single TPX CG1 CH1 single TPX CG1 HG1 single TPX CG2 CH2 double TPX CG2 HG2 single TPX CH1 CI double TPX CH1 HH1 single TPX CH2 CI single TPX CH2 HH2 single TPX CI CJ single TPX CJ HJ1 single TPX CJ HJ2 single TPX CJ HJ3 single