# 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 ETF ETF 'TRIFLUOROETHANOL ' non-polymer 9 6 M # data_comp_ETF # 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 ETF C1 C . 0.000 ETF C2 C . 0.000 ETF O O . 0.000 ETF F1 F . 0.000 ETF F2 F . 0.000 ETF F3 F . 0.000 ETF H21 H . 0.000 ETF H22 H . 0.000 ETF HO 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 ETF C1 C2 single ETF C1 F1 single ETF C1 F2 single ETF C1 F3 single ETF C2 O single ETF C2 H21 single ETF C2 H22 single ETF O HO single