#
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
SOC      SOC 'DIOXYSELENOCYSTEINE                 ' non-polymer        15   9 M
#
data_comp_SOC
#
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
 SOC           N      N    .         0.000
 SOC           CA     C    .         0.000
 SOC           CB     C    .         0.000
 SOC           SE     SE   .         0.000
 SOC           OD1    O    .         0.000
 SOC           OD2    O    .         0.000
 SOC           C      C    .         0.000
 SOC           O      O    .         0.000
 SOC           OXT    O    .         0.000
 SOC           HN1    H    .         0.000
 SOC           HN2    H    .         0.000
 SOC           HA     H    .         0.000
 SOC           HB1    H    .         0.000
 SOC           HB2    H    .         0.000
 SOC           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
 SOC        N      CA        single
 SOC        N      HN1       single
 SOC        N      HN2       single
 SOC        CA     CB        single
 SOC        CA     C         single
 SOC        CA     HA        single
 SOC        CB     SE        single
 SOC        CB     HB1       single
 SOC        CB     HB2       single
 SOC        SE     OD1       double
 SOC        SE     OD2       double
 SOC        C      O         double
 SOC        C      OXT       single
 SOC        OXT    HXT       single