# 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 DMB DMB '2-((3",5"-DIMETHYL-4"-HYDROXYPHENYL)' non-polymer 34 20 M # data_comp_DMB # 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 DMB C1 C . 0.000 DMB C2 C . 0.000 DMB C3 C . 0.000 DMB C4 C . 0.000 DMB C5 C . 0.000 DMB C6 C . 0.000 DMB 'C1'' C . 0.000 DMB 'C2'' C . 0.000 DMB 'C3'' C . 0.000 DMB 'C4'' C . 0.000 DMB 'C5'' C . 0.000 DMB 'C6'' C . 0.000 DMB C C . 0.000 DMB CM3 C . 0.000 DMB CM5 C . 0.000 DMB N1 N . 0.000 DMB 'N1'' N . 0.000 DMB O O . 0.000 DMB OXT O . 0.000 DMB 'O4'' O . 0.000 DMB H3 H . 0.000 DMB H4 H . 0.000 DMB H5 H . 0.000 DMB H6 H . 0.000 DMB 'H2'' H . 0.000 DMB 'H6'' H . 0.000 DMB HM31 H . 0.000 DMB HM32 H . 0.000 DMB HM33 H . 0.000 DMB HM51 H . 0.000 DMB HM52 H . 0.000 DMB HM53 H . 0.000 DMB HXT H . 0.000 DMB 'HO4'' 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 DMB C1 C2 single DMB C1 C6 double DMB C1 N1 single DMB C2 C3 double DMB C2 C single DMB C3 C4 single DMB C3 H3 single DMB C4 C5 double DMB C4 H4 single DMB C5 C6 single DMB C5 H5 single DMB C6 H6 single DMB 'C1'' 'C2'' single DMB 'C1'' 'C6'' double DMB 'C1'' 'N1'' single DMB 'C2'' 'C3'' double DMB 'C2'' 'H2'' single DMB 'C3'' 'C4'' single DMB 'C3'' CM3 single DMB 'C4'' 'C5'' double DMB 'C4'' 'O4'' single DMB 'C5'' 'C6'' single DMB 'C5'' CM5 single DMB 'C6'' 'H6'' single DMB C O double DMB C OXT single DMB CM3 HM31 single DMB CM3 HM32 single DMB CM3 HM33 single DMB CM5 HM51 single DMB CM5 HM52 single DMB CM5 HM53 single DMB N1 'N1'' double DMB OXT HXT single DMB 'O4'' 'HO4'' single