# 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 NBE NBE 'NITROSOBENZENE ' non-polymer 13 8 M # data_comp_NBE # 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 NBE C1 C . 0.000 NBE N N . 0.000 NBE O O . 0.000 NBE C2 C . 0.000 NBE C3 C . 0.000 NBE C4 C . 0.000 NBE C5 C . 0.000 NBE C6 C . 0.000 NBE H2 H . 0.000 NBE H3 H . 0.000 NBE H4 H . 0.000 NBE H5 H . 0.000 NBE 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 NBE C1 N single NBE C1 C2 double NBE C1 C6 single NBE N O double NBE C2 C3 single NBE C2 H2 single NBE C3 C4 double NBE C3 H3 single NBE C4 C5 single NBE C4 H4 single NBE C5 C6 double NBE C5 H5 single NBE C6 H6 single