# 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 FBA FBA '4-FLUOROBENZYLAMINE ' non-polymer 18 9 M # data_comp_FBA # 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 FBA C1 C . 0.000 FBA C2 C . 0.000 FBA C3 C . 0.000 FBA C4 C . 0.000 FBA C5 C . 0.000 FBA C6 C . 0.000 FBA C C . 0.000 FBA N N . 1.000 FBA F F . 0.000 FBA H_2 H . 0.000 FBA H3 H . 0.000 FBA H5 H . 0.000 FBA H6 H . 0.000 FBA H1 H . 0.000 FBA H2 H . 0.000 FBA HN1 H . 0.000 FBA HN2 H . 0.000 FBA HN3 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 FBA C1 C2 double FBA C1 C6 single FBA C1 C single FBA C2 C3 single FBA C2 H_2 single FBA C3 C4 double FBA C3 H3 single FBA C4 C5 single FBA C4 F single FBA C5 C6 double FBA C5 H5 single FBA C6 H6 single FBA C N single FBA C H1 single FBA C H2 single FBA N HN1 single FBA N HN2 single FBA N HN3 single