# 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 J77 J77 '(METHYLPYRIDAZINE PIPERIDINE ETHYLOX' non-polymer 54 27 M # data_comp_J77 # 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 J77 C1 C . 0.000 J77 C2 C . 0.000 J77 C3 C . 0.000 J77 C4 C . 0.000 J77 C5 C . 0.000 J77 N4 N . 0.000 J77 N3 N . 0.000 J77 N6 N . 0.000 J77 C7 C . 0.000 J77 C8 C . 0.000 J77 C9 C . 0.000 J77 C10 C . 0.000 J77 C11 C . 0.000 J77 C12 C . 0.000 J77 C13 C . 0.000 J77 O14 O . 0.000 J77 C15 C . 0.000 J77 C16 C . 0.000 J77 C17 C . 0.000 J77 C18 C . 0.000 J77 C19 C . 0.000 J77 C20 C . 0.000 J77 C21 C . 0.000 J77 O22 O . 0.000 J77 O23 O . 0.000 J77 C24 C . 0.000 J77 C25 C . 0.000 J77 H11 H . 0.000 J77 H12 H . 0.000 J77 H13 H . 0.000 J77 H3 H . 0.000 J77 H4 H . 0.000 J77 H71 H . 0.000 J77 H72 H . 0.000 J77 H81 H . 0.000 J77 H82 H . 0.000 J77 H9 H . 0.000 J77 H101 H . 0.000 J77 H102 H . 0.000 J77 H111 H . 0.000 J77 H112 H . 0.000 J77 H121 H . 0.000 J77 H122 H . 0.000 J77 H131 H . 0.000 J77 H132 H . 0.000 J77 H16 H . 0.000 J77 H17 H . 0.000 J77 H19 H . 0.000 J77 H20 H . 0.000 J77 H241 H . 0.000 J77 H242 H . 0.000 J77 H251 H . 0.000 J77 H252 H . 0.000 J77 H253 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 J77 C1 C2 single J77 C1 H11 single J77 C1 H12 single J77 C1 H13 single J77 C2 C3 single J77 C2 N3 double J77 C3 C4 double J77 C3 H3 single J77 C4 C5 single J77 C4 H4 single J77 C5 N4 double J77 C5 N6 single J77 N4 N3 single J77 N6 C7 single J77 N6 C11 single J77 C7 C8 single J77 C7 H71 single J77 C7 H72 single J77 C8 C9 single J77 C8 H81 single J77 C8 H82 single J77 C9 C10 single J77 C9 C12 single J77 C9 H9 single J77 C10 C11 single J77 C10 H101 single J77 C10 H102 single J77 C11 H111 single J77 C11 H112 single J77 C12 C13 single J77 C12 H121 single J77 C12 H122 single J77 C13 O14 single J77 C13 H131 single J77 C13 H132 single J77 O14 C15 single J77 C15 C16 double J77 C15 C20 single J77 C16 C17 single J77 C16 H16 single J77 C17 C18 double J77 C17 H17 single J77 C18 C19 single J77 C18 C21 single J77 C19 C20 double J77 C19 H19 single J77 C20 H20 single J77 C21 O22 double J77 C21 O23 single J77 O23 C24 single J77 C24 C25 single J77 C24 H241 single J77 C24 H242 single J77 C25 H251 single J77 C25 H252 single J77 C25 H253 single