# 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 S58 S58 '1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHY' non-polymer 37 26 M # data_comp_S58 # 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 S58 C1 C . 0.000 S58 C2 C . 0.000 S58 C3 C . 0.000 S58 C4 C . 0.000 S58 C5 C . 0.000 S58 C6 C . 0.000 S58 C7 C . 0.000 S58 C8 C . 0.000 S58 C9 C . 0.000 S58 C10 C . 0.000 S58 C11 C . 0.000 S58 C12 C . 0.000 S58 C13 C . 0.000 S58 C14 C . 0.000 S58 C15 C . 0.000 S58 C16 C . 0.000 S58 N1 N . 0.000 S58 N2 N . 0.000 S58 N3 N . 0.000 S58 O1 O . 0.000 S58 O2 O . 0.000 S58 BR1 BR . 0.000 S58 F1 F . 0.000 S58 F2 F . 0.000 S58 F3 F . 0.000 S58 S1 S . 0.000 S58 H1 H . 0.000 S58 H6 H . 0.000 S58 H7 H . 0.000 S58 H9 H . 0.000 S58 H10 H . 0.000 S58 H12 H . 0.000 S58 H13 H . 0.000 S58 H15 H . 0.000 S58 H16 H . 0.000 S58 HN31 H . 0.000 S58 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 S58 C1 C2 double S58 C1 C3 single S58 C1 H1 single S58 C2 N1 single S58 C2 C11 single S58 C3 N2 double S58 C3 C4 single S58 C4 F1 single S58 C4 F2 single S58 C4 F3 single S58 C5 N1 single S58 C5 C6 double S58 C5 C10 single S58 C6 C7 single S58 C6 H6 single S58 C7 C8 double S58 C7 H7 single S58 C8 C9 single S58 C8 S1 single S58 C9 C10 double S58 C9 H9 single S58 C10 H10 single S58 C11 C12 double S58 C11 C16 single S58 C12 C13 single S58 C12 H12 single S58 C13 C14 double S58 C13 H13 single S58 C14 C15 single S58 C14 BR1 single S58 C15 C16 double S58 C15 H15 single S58 C16 H16 single S58 N1 N2 single S58 N3 S1 single S58 N3 HN31 single S58 N3 HN32 single S58 O1 S1 double S58 O2 S1 double