# 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 PQQ PQQ 'PYRROLOQUINOLINE QUINONE ' non-polymer 30 24 M # data_comp_PQQ # 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 PQQ N1 N . 0.000 PQQ C2 C . 0.000 PQQ C2X C . 0.000 PQQ O2A O . 0.000 PQQ O2B O . 0.000 PQQ C3 C . 0.000 PQQ C3A C . 0.000 PQQ C1A C . 0.000 PQQ C4 C . 0.000 PQQ O4 O . 0.000 PQQ C5 C . 0.000 PQQ O5 O . 0.000 PQQ C6A C . 0.000 PQQ N6 N . 0.000 PQQ C7 C . 0.000 PQQ C7X C . 0.000 PQQ O7A O . 0.000 PQQ O7B O . 0.000 PQQ C8 C . 0.000 PQQ C9 C . 0.000 PQQ C9X C . 0.000 PQQ O9A O . 0.000 PQQ O9B O . 0.000 PQQ C9A C . 0.000 PQQ HN1 H . 0.000 PQQ HOB2 H . 0.000 PQQ H3 H . 0.000 PQQ HOB7 H . 0.000 PQQ H8 H . 0.000 PQQ HOB9 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 PQQ N1 C1A single PQQ N1 C2 single PQQ N1 HN1 single PQQ C2 C3 double PQQ C2 C2X single PQQ C2X O2A double PQQ C2X O2B single PQQ O2B HOB2 single PQQ C3 C3A single PQQ C3 H3 single PQQ C3A C1A double PQQ C3A C4 single PQQ C1A C9A single PQQ C4 C5 single PQQ C4 O4 double PQQ C5 C6A single PQQ C5 O5 double PQQ C6A N6 double PQQ C6A C9A single PQQ N6 C7 single PQQ C7 C8 double PQQ C7 C7X single PQQ C7X O7A double PQQ C7X O7B single PQQ O7B HOB7 single PQQ C8 C9 single PQQ C8 H8 single PQQ C9 C9A double PQQ C9 C9X single PQQ C9X O9A double PQQ C9X O9B single PQQ O9B HOB9 single