# 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 TYI TYI '3,5-DIIODOTRYROSINE ' non-polymer 24 15 M # data_comp_TYI # 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 TYI N N . 0.000 TYI CA C . 0.000 TYI CB C . 0.000 TYI CG C . 0.000 TYI CD1 C . 0.000 TYI CE1 C . 0.000 TYI CD2 C . 0.000 TYI CE2 C . 0.000 TYI CZ C . 0.000 TYI OH O . 0.000 TYI C C . 0.000 TYI O O . 0.000 TYI OXT O . 0.000 TYI I1 I . 0.000 TYI I2 I . 0.000 TYI HN1 H . 0.000 TYI HN2 H . 0.000 TYI HA H . 0.000 TYI HB1 H . 0.000 TYI HB2 H . 0.000 TYI HOH H . 0.000 TYI HXT H . 0.000 TYI HD1 H . 0.000 TYI HD2 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 TYI N CA single TYI N HN1 single TYI N HN2 single TYI CA CB single TYI CA C single TYI CA HA single TYI CB CG single TYI CB HB1 single TYI CB HB2 single TYI CG CD1 double TYI CG CD2 single TYI CD1 CE1 single TYI CD1 HD1 single TYI CE1 CZ double TYI CE1 I1 single TYI CD2 CE2 double TYI CD2 HD2 single TYI CE2 CZ single TYI CE2 I2 single TYI CZ OH single TYI OH HOH single TYI C O double TYI C OXT single TYI OXT HXT single