# 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 TFI TFI '2-[5-METHANESULFONYLAMINO-2-(4-AMINO' non-polymer 55 33 M # data_comp_TFI # 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 TFI C1 C . 0.000 TFI C2 C . 0.000 TFI C3 C . 0.000 TFI C4 C . 0.000 TFI C5 C . 0.000 TFI C6 C . 0.000 TFI C7 C . 0.000 TFI C8 C . 0.000 TFI C9 C . 0.000 TFI C10 C . 0.000 TFI C11 C . 0.000 TFI C12 C . 0.000 TFI C13 C . 0.000 TFI C14 C . 0.000 TFI C15 C . 0.000 TFI C16 C . 0.000 TFI C17 C . 0.000 TFI C18 C . 0.000 TFI C19 C . 0.000 TFI N1 N . 0.000 TFI N2 N . 0.000 TFI N3 N . 0.000 TFI N4 N . 0.000 TFI N5 N . 0.000 TFI O1 O . 0.000 TFI O2 O . 0.000 TFI O3 O . 0.000 TFI O4 O . 0.000 TFI O5 O . 0.000 TFI F1 F . 0.000 TFI F2 F . 0.000 TFI F3 F . 0.000 TFI S1 S . 0.000 TFI H3 H . 0.000 TFI H4 H . 0.000 TFI H51 H . 0.000 TFI H52 H . 0.000 TFI H53 H . 0.000 TFI H61 H . 0.000 TFI H62 H . 0.000 TFI H63 H . 0.000 TFI H81 H . 0.000 TFI H82 H . 0.000 TFI H11 H . 0.000 TFI H14 H . 0.000 TFI H15 H . 0.000 TFI H17 H . 0.000 TFI H18 H . 0.000 TFI H191 H . 0.000 TFI H192 H . 0.000 TFI H193 H . 0.000 TFI HN1 H . 0.000 TFI HN4 H . 0.000 TFI HN51 H . 0.000 TFI HN52 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 TFI C1 C2 single TFI C1 F1 single TFI C1 F2 single TFI C1 F3 single TFI C2 C3 single TFI C2 O1 double TFI C3 C4 single TFI C3 N1 single TFI C3 H3 single TFI C4 C5 single TFI C4 C6 single TFI C4 H4 single TFI C5 H51 single TFI C5 H52 single TFI C5 H53 single TFI C6 H61 single TFI C6 H62 single TFI C6 H63 single TFI C7 C8 single TFI C7 N1 single TFI C7 O2 double TFI C8 N2 single TFI C8 H81 single TFI C8 H82 single TFI C9 C10 single TFI C9 N2 single TFI C9 O3 double TFI C10 C11 double TFI C10 N4 single TFI C11 N3 single TFI C11 H11 single TFI C12 N2 single TFI C12 N3 double TFI C12 C13 single TFI C13 C14 single TFI C13 C18 double TFI C14 C15 double TFI C14 H14 single TFI C15 C16 single TFI C15 H15 single TFI C16 C17 double TFI C16 N5 single TFI C17 C18 single TFI C17 H17 single TFI C18 H18 single TFI C19 S1 single TFI C19 H191 single TFI C19 H192 single TFI C19 H193 single TFI N1 HN1 single TFI N4 S1 single TFI N4 HN4 single TFI N5 HN51 single TFI N5 HN52 single TFI O4 S1 double TFI O5 S1 double