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
CSZ      CSZ 'S-SELANYL CYSTEINE                  ' peptide            14   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_CSZ
#
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
 CSZ           N      N    NH2       0.000      0.000    0.000    0.000
 CSZ           HN1    H    H         0.000      0.894    0.075    0.469
 CSZ           HN2    H    H         0.000     -0.516   -0.870    0.048
 CSZ           CA     C    CH1       0.000     -0.543    1.141   -0.742
 CSZ           HA     H    H         0.000     -0.563    0.846   -1.800
 CSZ           CB     C    CH2       0.000     -1.991    1.398   -0.337
 CSZ           HB2    H    H         0.000     -2.495    0.430   -0.368
 CSZ           HB3    H    H         0.000     -2.413    2.052   -1.103
 CSZ           SG     S    S2        0.000     -2.221    2.149    1.296
 CSZ           SE     SE   SE        0.000     -1.157    1.159    2.822
 CSZ           HE     H    H         0.000     -1.931    0.252    3.033
 CSZ           C      C    C         0.000      0.233    2.454   -0.672
 CSZ           O      O    OC       -0.500     -0.030    3.378   -1.473
 CSZ           OXT    O    OC       -0.500      1.090    2.554    0.234
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
 CSZ      N      n/a    CA     START
 CSZ      HN1    N      .      .
 CSZ      HN2    N      .      .
 CSZ      CA     N      C      .
 CSZ      HA     CA     .      .
 CSZ      CB     CA     SG     .
 CSZ      HB2    CB     .      .
 CSZ      HB3    CB     .      .
 CSZ      SG     CB     SE     .
 CSZ      SE     SG     HE     .
 CSZ      HE     SE     .      .
 CSZ      C      CA     .      END
 CSZ      O      C      .      .
 CSZ      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
 CSZ      CA     N         single      1.450    0.020
 CSZ      C      CA        single      1.500    0.020
 CSZ      CB     CA        single      1.524    0.020
 CSZ      HA     CA        single      1.099    0.020
 CSZ      O      C         deloc       1.250    0.020
 CSZ      OXT    C         deloc       1.250    0.020
 CSZ      SG     CB        single      1.762    0.020
 CSZ      HB2    CB        single      1.092    0.020
 CSZ      HB3    CB        single      1.092    0.020
 CSZ      SE     SG        single      1.875    0.020
 CSZ      HE     SE        single      1.209    0.020
 CSZ      HN1    N         single      1.010    0.020
 CSZ      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
 CSZ      HN1    N      HN2     120.000    3.000
 CSZ      HN1    N      CA      120.000    3.000
 CSZ      HN2    N      CA      120.000    3.000
 CSZ      N      CA     HA      109.470    3.000
 CSZ      N      CA     CB      109.470    3.000
 CSZ      N      CA     C       109.470    3.000
 CSZ      HA     CA     CB      108.340    3.000
 CSZ      HA     CA     C       108.810    3.000
 CSZ      CB     CA     C       109.470    3.000
 CSZ      CA     CB     HB2     109.470    3.000
 CSZ      CA     CB     HB3     109.470    3.000
 CSZ      CA     CB     SG      109.500    3.000
 CSZ      HB2    CB     HB3     107.900    3.000
 CSZ      HB2    CB     SG      109.500    3.000
 CSZ      HB3    CB     SG      109.500    3.000
 CSZ      CB     SG     SE      113.188    3.000
 CSZ      SG     SE     HE       98.000    3.000
 CSZ      CA     C      O       118.500    3.000
 CSZ      CA     C      OXT     118.500    3.000
 CSZ      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
 CSZ      var_1    HN2    N      CA     C        175.000   20.000   1
 CSZ      var_2    N      CA     CB     SG        73.810   20.000   3
 CSZ      var_3    CA     CB     SG     SE       -49.865   20.000   1
 CSZ      var_4    CB     SG     SE     HE       -81.533   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
 CSZ      chir_01  CA     N      C      CB        positiv
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
 CSZ      plan-1    N         0.020
 CSZ      plan-1    CA        0.020
 CSZ      plan-1    HN1       0.020
 CSZ      plan-1    HN2       0.020
 CSZ      plan-2    C         0.020
 CSZ      plan-2    CA        0.020
 CSZ      plan-2    O         0.020
 CSZ      plan-2    OXT       0.020
# ------------------------------------------------------
