#
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
IYR      IYR '3-IODO-TYROSINE                     ' non-polymer        24  14 M
#
data_comp_IYR
#
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
 IYR           N      N    .         0.000
 IYR           CA     C    .         0.000
 IYR           CB     C    .         0.000
 IYR           CC     C    .         0.000
 IYR           CD     C    .         0.000
 IYR           CE     C    .         0.000
 IYR           IE     I    .         0.000
 IYR           CF     C    .         0.000
 IYR           OF     O    .         0.000
 IYR           CG     C    .         0.000
 IYR           CH     C    .         0.000
 IYR           C      C    .         0.000
 IYR           O      O    .         0.000
 IYR           OXT    O    .         0.000
 IYR           H      H    .         0.000
 IYR           HN2    H    .         0.000
 IYR           HA     H    .         0.000
 IYR           HB1    H    .         0.000
 IYR           HB2    H    .         0.000
 IYR           HD     H    .         0.000
 IYR           HF     H    .         0.000
 IYR           HG     H    .         0.000
 IYR           HH     H    .         0.000
 IYR           HXT    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
 IYR        N      CA        single
 IYR        N      H         single
 IYR        N      HN2       single
 IYR        CA     CB        single
 IYR        CA     C         single
 IYR        CA     HA        single
 IYR        CB     CC        single
 IYR        CB     HB1       single
 IYR        CB     HB2       single
 IYR        CC     CD        double
 IYR        CC     CH        single
 IYR        CD     CE        single
 IYR        CD     HD        single
 IYR        CE     IE        single
 IYR        CE     CF        double
 IYR        CF     OF        single
 IYR        CF     CG        single
 IYR        OF     HF        single
 IYR        CG     CH        double
 IYR        CG     HG        single
 IYR        CH     HH        single
 IYR        C      O         double
 IYR        C      OXT       single
 IYR        OXT    HXT       single