#
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
CYG      CYG '2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANY' non-polymer        30  16 M
#
data_comp_CYG
#
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
 CYG           N      N    .         0.000
 CYG           CA     C    .         0.000
 CYG           C      C    .         0.000
 CYG           O      O    .         0.000
 CYG           CB     C    .         0.000
 CYG           SG     S    .         0.000
 CYG           N1     N    .         0.000
 CYG           CA1    C    .         0.000
 CYG           CB1    C    .         0.000
 CYG           CG1    C    .         0.000
 CYG           CD1    C    .         0.000
 CYG           OE2    O    .         0.000
 CYG           C1     C    .         0.000
 CYG           O1     O    .         0.000
 CYG           O2     O    .         0.000
 CYG           OXT    O    .         0.000
 CYG           HN1    H    .         0.000
 CYG           HN2    H    .         0.000
 CYG           HA     H    .         0.000
 CYG           HB1    H    .         0.000
 CYG           HB2    H    .         0.000
 CYG           HN11   H    .         0.000
 CYG           HN12   H    .         0.000
 CYG           HA1    H    .         0.000
 CYG           HB11   H    .         0.000
 CYG           HB12   H    .         0.000
 CYG           HG11   H    .         0.000
 CYG           HG12   H    .         0.000
 CYG           HO2    H    .         0.000
 CYG           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
 CYG        N      CA        single
 CYG        N      HN1       single
 CYG        N      HN2       single
 CYG        CA     C         single
 CYG        CA     CB        single
 CYG        CA     HA        single
 CYG        C      O         double
 CYG        C      OXT       single
 CYG        CB     SG        single
 CYG        CB     HB1       single
 CYG        CB     HB2       single
 CYG        SG     CD1       single
 CYG        N1     CA1       single
 CYG        N1     HN11      single
 CYG        N1     HN12      single
 CYG        CA1    CB1       single
 CYG        CA1    C1        single
 CYG        CA1    HA1       single
 CYG        CB1    CG1       single
 CYG        CB1    HB11      single
 CYG        CB1    HB12      single
 CYG        CG1    CD1       single
 CYG        CG1    HG11      single
 CYG        CG1    HG12      single
 CYG        CD1    OE2       double
 CYG        C1     O1        double
 CYG        C1     O2        single
 CYG        O2     HO2       single
 CYG        OXT    HXT       single