# 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 MBN MBN 'TOLUENE ' non-polymer 15 7 M # data_comp_MBN # 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 MBN C C . 0.000 MBN C1 C . 0.000 MBN C2 C . 0.000 MBN C3 C . 0.000 MBN C4 C . 0.000 MBN C5 C . 0.000 MBN C6 C . 0.000 MBN H1 H . 0.000 MBN H2 H . 0.000 MBN H3 H . 0.000 MBN H_2 H . 0.000 MBN H_3 H . 0.000 MBN H4 H . 0.000 MBN H5 H . 0.000 MBN H6 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 MBN C C1 single MBN C H1 single MBN C H2 single MBN C H3 single MBN C1 C2 double MBN C1 C6 single MBN C2 C3 single MBN C2 H_2 single MBN C3 C4 double MBN C3 H_3 single MBN C4 C5 single MBN C4 H4 single MBN C5 C6 double MBN C5 H5 single MBN C6 H6 single