# 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 IPL IPL 'MONOIMIDAZOLE LEXITROPSIN ' non-polymer 58 31 M # data_comp_IPL # 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 IPL N1 N . 0.000 IPL N2 N . 1.000 IPL C1 C . 0.000 IPL N3 N . 0.000 IPL C2 C . 0.000 IPL C3 C . 0.000 IPL O1 O . 0.000 IPL N4 N . 0.000 IPL C4 C . 0.000 IPL N5 N . 0.000 IPL C6 C . 0.000 IPL C7 C . 0.000 IPL C8 C . 0.000 IPL N11 N . 0.000 IPL C9 C . 0.000 IPL O2 O . 0.000 IPL N6 N . 0.000 IPL C10 C . 0.000 IPL C11 C . 0.000 IPL C12 C . 0.000 IPL C13 C . 0.000 IPL N7 N . 0.000 IPL C14 C . 0.000 IPL C15 C . 0.000 IPL O3 O . 0.000 IPL N8 N . 0.000 IPL C16 C . 0.000 IPL C17 C . 0.000 IPL C18 C . 0.000 IPL N9 N . 0.000 IPL N10 N . 1.000 IPL HN11 H . 0.000 IPL HN12 H . 0.000 IPL HN21 H . 0.000 IPL HN22 H . 0.000 IPL HN3 H . 0.000 IPL H21 H . 0.000 IPL H22 H . 0.000 IPL HN4 H . 0.000 IPL H7 H . 0.000 IPL H81 H . 0.000 IPL H82 H . 0.000 IPL H83 H . 0.000 IPL HN6 H . 0.000 IPL H11 H . 0.000 IPL H13 H . 0.000 IPL H141 H . 0.000 IPL H142 H . 0.000 IPL H143 H . 0.000 IPL HN8 H . 0.000 IPL H161 H . 0.000 IPL H162 H . 0.000 IPL H171 H . 0.000 IPL H172 H . 0.000 IPL HN91 H . 0.000 IPL HN92 H . 0.000 IPL HN01 H . 0.000 IPL HN02 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 IPL N1 C1 single IPL N1 HN11 single IPL N1 HN12 single IPL N2 C1 double IPL N2 HN21 single IPL N2 HN22 single IPL C1 N3 single IPL N3 C2 single IPL N3 HN3 single IPL C2 C3 single IPL C2 H21 single IPL C2 H22 single IPL C3 N4 single IPL C3 O1 double IPL N4 C4 single IPL N4 HN4 single IPL C4 C7 double IPL C4 N11 single IPL N5 C6 single IPL N5 C7 single IPL N5 C8 single IPL C6 N11 double IPL C6 C9 single IPL C7 H7 single IPL C8 H81 single IPL C8 H82 single IPL C8 H83 single IPL C9 N6 single IPL C9 O2 double IPL N6 C10 single IPL N6 HN6 single IPL C10 C11 single IPL C10 C13 double IPL C11 C12 double IPL C11 H11 single IPL C12 C15 single IPL C12 N7 single IPL C13 N7 single IPL C13 H13 single IPL N7 C14 single IPL C14 H141 single IPL C14 H142 single IPL C14 H143 single IPL C15 N8 single IPL C15 O3 double IPL N8 C16 single IPL N8 HN8 single IPL C16 C17 single IPL C16 H161 single IPL C16 H162 single IPL C17 C18 single IPL C17 H171 single IPL C17 H172 single IPL C18 N9 single IPL C18 N10 double IPL N9 HN91 single IPL N9 HN92 single IPL N10 HN01 single IPL N10 HN02 single