# 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 BRN BRN 'BERENIL ' non-polymer 36 21 M # data_comp_BRN # 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 BRN C1 C . 0.000 BRN C2 C . 0.000 BRN C3 C . 0.000 BRN C4 C . 0.000 BRN C5 C . 0.000 BRN C6 C . 0.000 BRN C7 C . 0.000 BRN NA N . 0.000 BRN NB N . 0.000 BRN N1 N . 0.000 BRN N N . 0.000 BRN 'N1'' N . 0.000 BRN 'C1'' C . 0.000 BRN 'C2'' C . 0.000 BRN 'C3'' C . 0.000 BRN 'C4'' C . 0.000 BRN 'C5'' C . 0.000 BRN 'C6'' C . 0.000 BRN 'C7'' C . 0.000 BRN 'NA'' N . 0.000 BRN 'NB'' N . 0.000 BRN H2 H . 0.000 BRN H3 H . 0.000 BRN H5 H . 0.000 BRN H6 H . 0.000 BRN HA H . 0.000 BRN HB1 H . 0.000 BRN HB2 H . 0.000 BRN HN1 H . 0.000 BRN 'H2'' H . 0.000 BRN 'H3'' H . 0.000 BRN 'H5'' H . 0.000 BRN 'H6'' H . 0.000 BRN 'HA'' H . 0.000 BRN 'HB'1' H . 0.000 BRN 'HB'2' 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 BRN C1 C2 double BRN C1 C6 single BRN C1 N1 single BRN C2 C3 single BRN C2 H2 single BRN C3 C4 double BRN C3 H3 single BRN C4 C5 single BRN C4 C7 single BRN C5 C6 double BRN C5 H5 single BRN C6 H6 single BRN C7 NA double BRN C7 NB single BRN NA HA single BRN NB HB1 single BRN NB HB2 single BRN N1 N single BRN N1 HN1 single BRN N 'N1'' double BRN 'N1'' 'C1'' single BRN 'C1'' 'C2'' double BRN 'C1'' 'C6'' single BRN 'C2'' 'C3'' single BRN 'C2'' 'H2'' single BRN 'C3'' 'C4'' double BRN 'C3'' 'H3'' single BRN 'C4'' 'C5'' single BRN 'C4'' 'C7'' single BRN 'C5'' 'C6'' double BRN 'C5'' 'H5'' single BRN 'C6'' 'H6'' single BRN 'C7'' 'NA'' double BRN 'C7'' 'NB'' single BRN 'NA'' 'HA'' single BRN 'NB'' 'HB'1' single BRN 'NB'' 'HB'2' single