# 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 PNL PNL 'PROPANAL ' non-polymer 10 4 M # data_comp_PNL # 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 PNL C1 C . 0.000 PNL O1 O . 0.000 PNL C2 C . 0.000 PNL C3 C . 0.000 PNL H1 H . 0.000 PNL H21 H . 0.000 PNL H22 H . 0.000 PNL H31 H . 0.000 PNL H32 H . 0.000 PNL H33 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 PNL C1 C2 single PNL C1 O1 double PNL C1 H1 single PNL C2 C3 single PNL C2 H21 single PNL C2 H22 single PNL C3 H31 single PNL C3 H32 single PNL C3 H33 single