# 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 APP APP '1-ACETYL-2-CARBOXYPIPERIDINE ' non-polymer 25 12 M # data_comp_APP # 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 APP N1 N . 0.000 APP C C . 0.000 APP O O . 0.000 APP CM C . 0.000 APP C2 C . 0.000 APP 'C'' C . 0.000 APP O1 O . 0.000 APP O2 O . 0.000 APP C3 C . 0.000 APP C4 C . 0.000 APP C5 C . 0.000 APP C6 C . 0.000 APP HM1 H . 0.000 APP HM2 H . 0.000 APP HM3 H . 0.000 APP H2 H . 0.000 APP HO2 H . 0.000 APP H31 H . 0.000 APP H32 H . 0.000 APP H41 H . 0.000 APP H42 H . 0.000 APP H51 H . 0.000 APP H52 H . 0.000 APP H61 H . 0.000 APP H62 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 APP N1 C2 single APP N1 C6 single APP N1 C single APP C O double APP C CM single APP CM HM1 single APP CM HM2 single APP CM HM3 single APP C2 C3 single APP C2 'C'' single APP C2 H2 single APP 'C'' O1 double APP 'C'' O2 single APP O2 HO2 single APP C3 C4 single APP C3 H31 single APP C3 H32 single APP C4 C5 single APP C4 H41 single APP C4 H42 single APP C5 C6 single APP C5 H51 single APP C5 H52 single APP C6 H61 single APP C6 H62 single