global_
_lib_name         ?
_lib_version      ?
_lib_update       ?
# ------------------------------------------------
#
# ---   LIST OF MONOMERS ---
#
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
DCY      DCY 'D-CYSTEINE                          ' peptide            13   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DCY
#
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
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 DCY           N      N    NH2       0.000      0.000    0.000    0.000
 DCY           HN1    H    H         0.000      0.556   -0.442   -0.723
 DCY           HN2    H    H         0.000      0.443    0.274    0.869
 DCY           CA     C    CH1       0.000     -1.434    0.241   -0.210
 DCY           HA     H    H         0.000     -1.653    1.307   -0.052
 DCY           CB     C    CH2       0.000     -2.242   -0.597    0.781
 DCY           HB2    H    H         0.000     -2.025   -1.655    0.622
 DCY           HB3    H    H         0.000     -3.308   -0.418    0.623
 DCY           SG     S    SH1       0.000     -1.793   -0.132    2.475
 DCY           HG     H    H         0.000     -2.617   -0.986    3.077
 DCY           C      C    C         0.000     -1.807   -0.144   -1.617
 DCY           O      O    OC       -0.500     -1.183   -1.057   -2.202
 DCY           OXT    O    OC       -0.500     -2.742    0.447   -2.202
loop_
_chem_comp_tree.comp_id
_chem_comp_tree.atom_id
_chem_comp_tree.atom_back
_chem_comp_tree.atom_forward
_chem_comp_tree.connect_type
 DCY      N      n/a    CA     START
 DCY      HN1    N      .      .
 DCY      HN2    N      .      .
 DCY      CA     N      C      .
 DCY      HA     CA     .      .
 DCY      CB     CA     SG     .
 DCY      HB2    CB     .      .
 DCY      HB3    CB     .      .
 DCY      SG     CB     HG     .
 DCY      HG     SG     .      .
 DCY      C      CA     .      END
 DCY      O      C      .      .
 DCY      OXT    C      .      .
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
 DCY      CA     N         single      1.450    0.020
 DCY      C      CA        single      1.500    0.020
 DCY      CB     CA        single      1.524    0.020
 DCY      HA     CA        single      1.099    0.020
 DCY      O      C         deloc       1.250    0.020
 DCY      OXT    C         deloc       1.250    0.020
 DCY      SG     CB        single      1.810    0.020
 DCY      HB2    CB        single      1.092    0.020
 DCY      HB3    CB        single      1.092    0.020
 DCY      HG     SG        single      1.330    0.020
 DCY      HN1    N         single      1.010    0.020
 DCY      HN2    N         single      1.010    0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
 DCY      HN1    N      HN2     120.000    3.000
 DCY      HN1    N      CA      120.000    3.000
 DCY      HN2    N      CA      120.000    3.000
 DCY      N      CA     HA      109.470    3.000
 DCY      N      CA     CB      109.470    3.000
 DCY      N      CA     C       109.470    3.000
 DCY      HA     CA     CB      108.340    3.000
 DCY      HA     CA     C       108.810    3.000
 DCY      CB     CA     C       109.470    3.000
 DCY      CA     CB     HB2     109.470    3.000
 DCY      CA     CB     HB3     109.470    3.000
 DCY      CA     CB     SG      112.500    3.000
 DCY      HB2    CB     HB3     107.900    3.000
 DCY      HB2    CB     SG      109.470    3.000
 DCY      HB3    CB     SG      109.470    3.000
 DCY      CB     SG     HG       96.000    3.000
 DCY      CA     C      O       118.500    3.000
 DCY      CA     C      OXT     118.500    3.000
 DCY      O      C      OXT     123.000    3.000
loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
 DCY      var_1    HN2    N      CA     C        175.000   20.000   1
 DCY      var_2    N      CA     CB     SG        59.987   20.000   3
 DCY      var_3    CA     CB     SG     HG       179.999   20.000   1
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 DCY      chir_01  CA     N      C      CB        negativ
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
 DCY      plan-1    N         0.020
 DCY      plan-1    CA        0.020
 DCY      plan-1    HN1       0.020
 DCY      plan-1    HN2       0.020
 DCY      plan-2    C         0.020
 DCY      plan-2    CA        0.020
 DCY      plan-2    O         0.020
 DCY      plan-2    OXT       0.020
# ------------------------------------------------------
