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
SLZ      SLZ 'L-THIALYSINE                        ' peptide            21  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_SLZ
#
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
 SLZ           N      N    NH2       0.000      0.000    0.000    0.000
 SLZ           HN1    H    H         0.000      0.717    0.496   -0.516
 SLZ           HN2    H    H         0.000      0.121   -0.155    0.994
 SLZ           CA     C    CH1       0.000     -1.203   -0.490   -0.685
 SLZ           HA     H    H         0.000     -1.217   -1.588   -0.659
 SLZ           CB     C    CH2       0.000     -2.448    0.052    0.019
 SLZ           HB2    H    H         0.000     -3.342   -0.313   -0.492
 SLZ           HB3    H    H         0.000     -2.435    1.143   -0.009
 SLZ           SG     S    S2        0.000     -2.463   -0.510    1.741
 SLZ           CD     C    CH2       0.000     -4.002    0.259    2.313
 SLZ           HD2    H    H         0.000     -4.837   -0.114    1.716
 SLZ           HD3    H    H         0.000     -3.930    1.343    2.198
 SLZ           CE     C    CH2       0.000     -4.232   -0.086    3.784
 SLZ           HE2    H    H         0.000     -3.395    0.287    4.379
 SLZ           HE3    H    H         0.000     -4.302   -1.170    3.896
 SLZ           NZ     N    NH2       0.000     -5.478    0.537    4.247
 SLZ           HNZ2   H    H         0.000     -5.997    1.156    3.637
 SLZ           HNZ1   H    H         0.000     -5.826    0.351    5.180
 SLZ           C      C    C         0.000     -1.191   -0.023   -2.118
 SLZ           O      O    OC       -0.500     -0.634    1.056   -2.418
 SLZ           OXT    O    OC       -0.500     -1.737   -0.713   -3.007
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
 SLZ      N      n/a    CA     START
 SLZ      HN1    N      .      .
 SLZ      HN2    N      .      .
 SLZ      CA     N      C      .
 SLZ      HA     CA     .      .
 SLZ      CB     CA     SG     .
 SLZ      HB2    CB     .      .
 SLZ      HB3    CB     .      .
 SLZ      SG     CB     CD     .
 SLZ      CD     SG     CE     .
 SLZ      HD2    CD     .      .
 SLZ      HD3    CD     .      .
 SLZ      CE     CD     NZ     .
 SLZ      HE2    CE     .      .
 SLZ      HE3    CE     .      .
 SLZ      NZ     CE     HNZ1   .
 SLZ      HNZ2   NZ     .      .
 SLZ      HNZ1   NZ     .      .
 SLZ      C      CA     .      END
 SLZ      O      C      .      .
 SLZ      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
 SLZ      CA     N         single      1.450    0.020
 SLZ      CB     CA        single      1.524    0.020
 SLZ      C      CA        single      1.500    0.020
 SLZ      HA     CA        single      1.099    0.020
 SLZ      SG     CB        single      1.762    0.020
 SLZ      HB2    CB        single      1.092    0.020
 SLZ      HB3    CB        single      1.092    0.020
 SLZ      CD     SG        single      1.762    0.020
 SLZ      CE     CD        single      1.524    0.020
 SLZ      HD2    CD        single      1.092    0.020
 SLZ      HD3    CD        single      1.092    0.020
 SLZ      NZ     CE        single      1.450    0.020
 SLZ      HE2    CE        single      1.092    0.020
 SLZ      HE3    CE        single      1.092    0.020
 SLZ      O      C         deloc       1.250    0.020
 SLZ      OXT    C         deloc       1.250    0.020
 SLZ      HN1    N         single      1.010    0.020
 SLZ      HN2    N         single      1.010    0.020
 SLZ      HNZ1   NZ        single      1.010    0.020
 SLZ      HNZ2   NZ        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
 SLZ      HN1    N      HN2     120.000    3.000
 SLZ      HN1    N      CA      120.000    3.000
 SLZ      HN2    N      CA      120.000    3.000
 SLZ      N      CA     HA      109.470    3.000
 SLZ      N      CA     CB      109.470    3.000
 SLZ      N      CA     C       109.470    3.000
 SLZ      HA     CA     CB      108.340    3.000
 SLZ      HA     CA     C       108.810    3.000
 SLZ      CB     CA     C       109.470    3.000
 SLZ      CA     CB     HB2     109.470    3.000
 SLZ      CA     CB     HB3     109.470    3.000
 SLZ      CA     CB     SG      109.500    3.000
 SLZ      HB2    CB     HB3     107.900    3.000
 SLZ      HB2    CB     SG      109.500    3.000
 SLZ      HB3    CB     SG      109.500    3.000
 SLZ      CB     SG     CD      100.071    3.000
 SLZ      SG     CD     HD2     109.500    3.000
 SLZ      SG     CD     HD3     109.500    3.000
 SLZ      SG     CD     CE      109.500    3.000
 SLZ      HD2    CD     HD3     107.900    3.000
 SLZ      HD2    CD     CE      109.470    3.000
 SLZ      HD3    CD     CE      109.470    3.000
 SLZ      CD     CE     HE2     109.470    3.000
 SLZ      CD     CE     HE3     109.470    3.000
 SLZ      CD     CE     NZ      109.470    3.000
 SLZ      HE2    CE     HE3     107.900    3.000
 SLZ      HE2    CE     NZ      109.470    3.000
 SLZ      HE3    CE     NZ      109.470    3.000
 SLZ      CE     NZ     HNZ2    120.000    3.000
 SLZ      CE     NZ     HNZ1    120.000    3.000
 SLZ      HNZ2   NZ     HNZ1    120.000    3.000
 SLZ      CA     C      O       118.500    3.000
 SLZ      CA     C      OXT     118.500    3.000
 SLZ      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
 SLZ      var_1    HN2    N      CA     C        175.000   20.000   1
 SLZ      var_2    N      CA     CB     SG       -59.906   20.000   3
 SLZ      var_3    CA     CB     SG     CD       179.983   20.000   1
 SLZ      var_4    CB     SG     CD     CE      -179.998   20.000   1
 SLZ      var_5    SG     CD     CE     NZ      -179.998   20.000   3
 SLZ      var_6    CD     CE     NZ     HNZ1     175.000   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
 SLZ      chir_01  CA     N      CB     C         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
 SLZ      plan-1    N         0.020
 SLZ      plan-1    CA        0.020
 SLZ      plan-1    HN1       0.020
 SLZ      plan-1    HN2       0.020
 SLZ      plan-2    NZ        0.020
 SLZ      plan-2    CE        0.020
 SLZ      plan-2    HNZ1      0.020
 SLZ      plan-2    HNZ2      0.020
 SLZ      plan-3    C         0.020
 SLZ      plan-3    CA        0.020
 SLZ      plan-3    O         0.020
 SLZ      plan-3    OXT       0.020
# ------------------------------------------------------
