# 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 IBB IBB '5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPH' non-polymer 50 30 M # data_comp_IBB # 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 IBB C1 C . 0.000 IBB C2 C . 0.000 IBB C3 C . 0.000 IBB C4 C . 0.000 IBB C5 C . 0.000 IBB C6 C . 0.000 IBB C7 C . 0.000 IBB C8 C . 0.000 IBB C9 C . 0.000 IBB C10 C . 0.000 IBB C11 C . 0.000 IBB C12 C . 0.000 IBB C13 C . 0.000 IBB C14 C . 0.000 IBB C15 C . 0.000 IBB C16 C . 0.000 IBB C17 C . 0.000 IBB C18 C . 0.000 IBB C19 C . 0.000 IBB C20 C . 0.000 IBB C21 C . 0.000 IBB C22 C . 0.000 IBB C23 C . 0.000 IBB N1 N . 0.000 IBB N2 N . 0.000 IBB N3 N . 0.000 IBB N4 N . 0.000 IBB N5 N . 0.000 IBB N6 N . 0.000 IBB O1 O . 0.000 IBB H1 H . 0.000 IBB H21 H . 0.000 IBB H22 H . 0.000 IBB H31 H . 0.000 IBB H32 H . 0.000 IBB H5 H . 0.000 IBB H6 H . 0.000 IBB H9 H . 0.000 IBB H13 H . 0.000 IBB H14 H . 0.000 IBB H17 H . 0.000 IBB H18 H . 0.000 IBB H20 H . 0.000 IBB H_21 H . 0.000 IBB H23 H . 0.000 IBB HN1 H . 0.000 IBB HN2 H . 0.000 IBB HN3 H . 0.000 IBB HN6 H . 0.000 IBB HO1 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 IBB C1 C4 single IBB C1 N1 single IBB C1 N2 single IBB C1 H1 single IBB C2 C3 single IBB C2 N1 single IBB C2 H21 single IBB C2 H22 single IBB C3 N2 single IBB C3 H31 single IBB C3 H32 single IBB C4 C5 single IBB C4 C9 double IBB C5 C6 double IBB C5 H5 single IBB C6 C7 single IBB C6 H6 single IBB C7 C8 double IBB C7 N4 single IBB C8 C9 single IBB C8 N3 single IBB C9 H9 single IBB C10 C22 single IBB C10 N3 single IBB C10 N4 double IBB C11 C12 double IBB C11 C23 single IBB C11 N6 single IBB C12 C13 single IBB C12 N5 single IBB C13 C14 double IBB C13 H13 single IBB C14 C22 single IBB C14 H14 single IBB C15 C16 single IBB C15 N5 double IBB C15 N6 single IBB C16 C17 single IBB C16 C21 double IBB C17 C18 double IBB C17 H17 single IBB C18 C19 single IBB C18 H18 single IBB C19 C20 double IBB C19 O1 single IBB C20 C21 single IBB C20 H20 single IBB C21 H_21 single IBB C22 C23 double IBB C23 H23 single IBB N1 HN1 single IBB N2 HN2 single IBB N3 HN3 single IBB N6 HN6 single IBB O1 HO1 single