# 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 MBH MBH '1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZ' non-polymer 28 13 M # data_comp_MBH # 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 MBH N1 N . 1.000 MBH N2 N . 0.000 MBH C C . 0.000 MBH C1 C . 0.000 MBH C2 C . 0.000 MBH C3 C . 0.000 MBH C4 C . 0.000 MBH C5 C . 0.000 MBH C6 C . 0.000 MBH C1M C . 0.000 MBH CA2 C . 0.000 MBH CA1 C . 0.000 MBH O O . 0.000 MBH HN21 H . 0.000 MBH HN22 H . 0.000 MBH H1 H . 0.000 MBH H2 H . 0.000 MBH H_2 H . 0.000 MBH H3 H . 0.000 MBH H4 H . 0.000 MBH H5 H . 0.000 MBH H6 H . 0.000 MBH H1M1 H . 0.000 MBH H1M2 H . 0.000 MBH H1M3 H . 0.000 MBH HA21 H . 0.000 MBH HA22 H . 0.000 MBH HA1 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 MBH N1 N2 single MBH N1 C single MBH N1 C1M single MBH N1 CA2 single MBH N2 HN21 single MBH N2 HN22 single MBH C C1 single MBH C H1 single MBH C H2 single MBH C1 C2 double MBH C1 C6 single MBH C2 C3 single MBH C2 H_2 single MBH C3 C4 double MBH C3 H3 single MBH C4 C5 single MBH C4 H4 single MBH C5 C6 double MBH C5 H5 single MBH C6 H6 single MBH C1M H1M1 single MBH C1M H1M2 single MBH C1M H1M3 single MBH CA2 CA1 single MBH CA2 HA21 single MBH CA2 HA22 single MBH CA1 O double MBH CA1 HA1 single