# 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 QNC QNC '2-CARBONYLQUINOLINE ' non-polymer 19 12 M # data_comp_QNC # 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 QNC O O . 0.000 QNC C C . 0.000 QNC N1 N . 0.000 QNC C2 C . 0.000 QNC C3 C . 0.000 QNC C4 C . 0.000 QNC C4A C . 0.000 QNC C5 C . 0.000 QNC C6 C . 0.000 QNC C7 C . 0.000 QNC C8 C . 0.000 QNC C8A C . 0.000 QNC H H . 0.000 QNC H3 H . 0.000 QNC H4 H . 0.000 QNC H5 H . 0.000 QNC H6 H . 0.000 QNC H7 H . 0.000 QNC H8 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 QNC O C double QNC C C2 single QNC C H single QNC N1 C2 double QNC N1 C8A single QNC C2 C3 single QNC C3 C4 double QNC C3 H3 single QNC C4 C4A single QNC C4 H4 single QNC C4A C5 double QNC C4A C8A single QNC C5 C6 single QNC C5 H5 single QNC C6 C7 double QNC C6 H6 single QNC C7 C8 single QNC C7 H7 single QNC C8 C8A double QNC C8 H8 single