# 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 BFS BFS 'N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO ' non-polymer 33 20 M # data_comp_BFS # 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 BFS C1 C . 0.000 BFS C2 C . 0.000 BFS C3 C . 0.000 BFS C4 C . 0.000 BFS C5 C . 0.000 BFS C6 C . 0.000 BFS C C . 0.000 BFS CE1 C . 0.000 BFS CE2 C . 0.000 BFS 'C1'' C . 0.000 BFS 'C2'' C . 0.000 BFS 'C3'' C . 0.000 BFS 'C4'' C . 0.000 BFS 'C5'' C . 0.000 BFS 'C6'' C . 0.000 BFS N N . 0.000 BFS O O . 0.000 BFS O2 O . 0.000 BFS F5 F . 0.000 BFS BR4 BR . 0.000 BFS H3 H . 0.000 BFS H4 H . 0.000 BFS H6 H . 0.000 BFS HE1 H . 0.000 BFS HE21 H . 0.000 BFS HE22 H . 0.000 BFS HE23 H . 0.000 BFS 'H2'' H . 0.000 BFS 'H3'' H . 0.000 BFS 'H5'' H . 0.000 BFS 'H6'' H . 0.000 BFS HN H . 0.000 BFS HO2 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 BFS C1 C single BFS C1 C2 double BFS C1 C6 single BFS C2 C3 single BFS C2 O2 single BFS C3 C4 double BFS C3 H3 single BFS C4 C5 single BFS C4 H4 single BFS C5 C6 double BFS C5 F5 single BFS C6 H6 single BFS C N single BFS C O double BFS CE1 CE2 single BFS CE1 'C1'' single BFS CE1 N single BFS CE1 HE1 single BFS CE2 HE21 single BFS CE2 HE22 single BFS CE2 HE23 single BFS 'C1'' 'C2'' double BFS 'C1'' 'C6'' single BFS 'C2'' 'C3'' single BFS 'C2'' 'H2'' single BFS 'C3'' 'C4'' double BFS 'C3'' 'H3'' single BFS 'C4'' 'C5'' single BFS 'C4'' BR4 single BFS 'C5'' 'C6'' double BFS 'C5'' 'H5'' single BFS 'C6'' 'H6'' single BFS N HN single BFS O2 HO2 single