# 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 J78 J78 '(METHYLPYRIDAZINE PIPERIDINE PROPYLO' non-polymer 57 28 M # data_comp_J78 # 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 J78 C1 C . 0.000 J78 C2 C . 0.000 J78 C3 C . 0.000 J78 C4 C . 0.000 J78 C5 C . 0.000 J78 N4 N . 0.000 J78 N3 N . 0.000 J78 N6 N . 0.000 J78 C7 C . 0.000 J78 C8 C . 0.000 J78 C9 C . 0.000 J78 C10 C . 0.000 J78 C11 C . 0.000 J78 C12 C . 0.000 J78 C13 C . 0.000 J78 C14 C . 0.000 J78 O15 O . 0.000 J78 C16 C . 0.000 J78 C17 C . 0.000 J78 C18 C . 0.000 J78 C19 C . 0.000 J78 C20 C . 0.000 J78 C21 C . 0.000 J78 C22 C . 0.000 J78 O23 O . 0.000 J78 O24 O . 0.000 J78 C25 C . 0.000 J78 C26 C . 0.000 J78 H11 H . 0.000 J78 H12 H . 0.000 J78 H13 H . 0.000 J78 H3 H . 0.000 J78 H4 H . 0.000 J78 H71 H . 0.000 J78 H72 H . 0.000 J78 H81 H . 0.000 J78 H82 H . 0.000 J78 H9 H . 0.000 J78 H101 H . 0.000 J78 H102 H . 0.000 J78 H111 H . 0.000 J78 H112 H . 0.000 J78 H121 H . 0.000 J78 H122 H . 0.000 J78 H131 H . 0.000 J78 H132 H . 0.000 J78 H141 H . 0.000 J78 H142 H . 0.000 J78 H17 H . 0.000 J78 H18 H . 0.000 J78 H20 H . 0.000 J78 H21 H . 0.000 J78 H251 H . 0.000 J78 H252 H . 0.000 J78 H261 H . 0.000 J78 H262 H . 0.000 J78 H263 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 J78 C1 C2 single J78 C1 H11 single J78 C1 H12 single J78 C1 H13 single J78 C2 C3 single J78 C2 N3 double J78 C3 C4 double J78 C3 H3 single J78 C4 C5 single J78 C4 H4 single J78 C5 N4 double J78 C5 N6 single J78 N4 N3 single J78 N6 C7 single J78 N6 C11 single J78 C7 C8 single J78 C7 H71 single J78 C7 H72 single J78 C8 C9 single J78 C8 H81 single J78 C8 H82 single J78 C9 C10 single J78 C9 C12 single J78 C9 H9 single J78 C10 C11 single J78 C10 H101 single J78 C10 H102 single J78 C11 H111 single J78 C11 H112 single J78 C12 C13 single J78 C12 H121 single J78 C12 H122 single J78 C13 C14 single J78 C13 H131 single J78 C13 H132 single J78 C14 O15 single J78 C14 H141 single J78 C14 H142 single J78 O15 C16 single J78 C16 C17 double J78 C16 C21 single J78 C17 C18 single J78 C17 H17 single J78 C18 C19 double J78 C18 H18 single J78 C19 C20 single J78 C19 C22 single J78 C20 C21 double J78 C20 H20 single J78 C21 H21 single J78 C22 O23 double J78 C22 O24 single J78 O24 C25 single J78 C25 C26 single J78 C25 H251 single J78 C25 H252 single J78 C26 H261 single J78 C26 H262 single J78 C26 H263 single