# 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 2IB 2IB '2-IODOBENZYL GROUP ' non-polymer 14 8 M # data_comp_2IB # 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 2IB C C . 0.000 2IB C1 C . 0.000 2IB C2 C . 0.000 2IB C3 C . 0.000 2IB C4 C . 0.000 2IB C5 C . 0.000 2IB C6 C . 0.000 2IB I2 I . 0.000 2IB H1 H . 0.000 2IB H2 H . 0.000 2IB H3 H . 0.000 2IB H4 H . 0.000 2IB H5 H . 0.000 2IB 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 2IB C C1 single 2IB C H1 single 2IB C H2 single 2IB C1 C2 single 2IB C1 C6 double 2IB C2 C3 double 2IB C2 I2 single 2IB C3 C4 single 2IB C3 H3 single 2IB C4 C5 double 2IB C4 H4 single 2IB C5 C6 single 2IB C5 H5 single 2IB C6 H6 single