# 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 BDM BDM 'BRODIMOPRIM-4,6-DICARBOXYLATE ' non-polymer 55 31 M # data_comp_BDM # 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 BDM N1 N . 1.000 BDM C2 C . 0.000 BDM N2 N . 0.000 BDM N3 N . 0.000 BDM C4 C . 0.000 BDM N4 N . 0.000 BDM C5 C . 0.000 BDM C6 C . 0.000 BDM C7 C . 0.000 BDM C8 C . 0.000 BDM C9 C . 0.000 BDM C10 C . 0.000 BDM O10 O . 0.000 BDM C11 C . 0.000 BDM BR11 BR . 0.000 BDM C12 C . 0.000 BDM O12 O . 0.000 BDM C13 C . 0.000 BDM C14 C . 0.000 BDM C15 C . 0.000 BDM C16 C . 0.000 BDM C17 C . 0.000 BDM C18 C . 0.000 BDM C19 C . 0.000 BDM C20 C . 0.000 BDM C21 C . 0.000 BDM O211 O . 0.000 BDM O212 O . -1.000 BDM C22 C . 0.000 BDM O221 O . 0.000 BDM O222 O . -1.000 BDM HN1 H . 0.000 BDM HN21 H . 0.000 BDM HN22 H . 0.000 BDM HN41 H . 0.000 BDM HN42 H . 0.000 BDM H6 H . 0.000 BDM H71 H . 0.000 BDM H72 H . 0.000 BDM H9 H . 0.000 BDM H13 H . 0.000 BDM H141 H . 0.000 BDM H142 H . 0.000 BDM H143 H . 0.000 BDM H151 H . 0.000 BDM H152 H . 0.000 BDM H161 H . 0.000 BDM H162 H . 0.000 BDM H171 H . 0.000 BDM H172 H . 0.000 BDM H18 H . 0.000 BDM H191 H . 0.000 BDM H192 H . 0.000 BDM H201 H . 0.000 BDM H202 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 BDM N1 C2 single BDM N1 C6 double BDM N1 HN1 single BDM C2 N2 single BDM C2 N3 double BDM N2 HN21 single BDM N2 HN22 single BDM N3 C4 single BDM C4 C5 double BDM C4 N4 single BDM N4 HN41 single BDM N4 HN42 single BDM C5 C6 single BDM C5 C7 single BDM C6 H6 single BDM C7 C8 single BDM C7 H71 single BDM C7 H72 single BDM C8 C9 double BDM C8 C13 single BDM C9 C10 single BDM C9 H9 single BDM C10 C11 double BDM C10 O10 single BDM O10 C15 single BDM C11 C12 single BDM C11 BR11 single BDM C12 C13 double BDM C12 O12 single BDM O12 C14 single BDM C13 H13 single BDM C14 H141 single BDM C14 H142 single BDM C14 H143 single BDM C15 C16 single BDM C15 H151 single BDM C15 H152 single BDM C16 C17 single BDM C16 H161 single BDM C16 H162 single BDM C17 C18 single BDM C17 H171 single BDM C17 H172 single BDM C18 C19 single BDM C18 C21 single BDM C18 H18 single BDM C19 C20 single BDM C19 H191 single BDM C19 H192 single BDM C20 C22 single BDM C20 H201 single BDM C20 H202 single BDM C21 O211 double BDM C21 O212 single BDM C22 O221 double BDM C22 O222 single