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
CZ2      CZ2 'S-(DIHYDROXYARSINO)CYSTEINE         ' peptide            17  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_CZ2
#
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
 CZ2           N      N    NH2       0.000      0.000    0.000    0.000
 CZ2           HN1    H    H         0.000      0.669   -0.759    0.055
 CZ2           HN2    H    H         0.000     -0.742   -0.041   -0.688
 CZ2           CA     C    CH1       0.000      0.105    1.148    0.909
 CZ2           HCA    H    H         0.000      0.328    2.055    0.330
 CZ2           CB     C    CH2       0.000     -1.219    1.331    1.655
 CZ2           HB2    H    H         0.000     -1.141    2.184    2.332
 CZ2           HB3    H    H         0.000     -1.440    0.430    2.231
 CZ2           SG     S    S2        0.000     -2.549    1.627    0.458
 CZ2           AS     AS   AS1       0.000     -2.902   -0.404   -0.418
 CZ2           O2     O    OH1       0.000     -4.242   -0.306   -1.675
 CZ2           HO2    H    H         0.000     -4.495   -1.103   -2.129
 CZ2           O1     O    OH1       0.000     -3.397   -1.569    0.917
 CZ2           HO1    H    H         0.000     -3.579   -2.474    0.684
 CZ2           C      C    C         0.000      1.211    0.902    1.904
 CZ2           O      O    OC       -0.500      1.615   -0.263    2.115
 CZ2           OXT    O    OC       -0.500      1.725    1.864    2.518
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
 CZ2      N      n/a    CA     START
 CZ2      HN1    N      .      .
 CZ2      HN2    N      .      .
 CZ2      CA     N      C      .
 CZ2      HCA    CA     .      .
 CZ2      CB     CA     SG     .
 CZ2      HB2    CB     .      .
 CZ2      HB3    CB     .      .
 CZ2      SG     CB     AS     .
 CZ2      AS     SG     O1     .
 CZ2      O2     AS     HO2    .
 CZ2      HO2    O2     .      .
 CZ2      O1     AS     HO1    .
 CZ2      HO1    O1     .      .
 CZ2      C      CA     .      END
 CZ2      O      C      .      .
 CZ2      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
 CZ2      CA     N         single      1.450    0.020
 CZ2      CB     CA        single      1.524    0.020
 CZ2      C      CA        single      1.500    0.020
 CZ2      HCA    CA        single      1.099    0.020
 CZ2      SG     CB        single      1.762    0.020
 CZ2      HB2    CB        single      1.092    0.020
 CZ2      HB3    CB        single      1.092    0.020
 CZ2      AS     SG        single      2.230    0.020
 CZ2      O      C         deloc       1.250    0.020
 CZ2      OXT    C         deloc       1.250    0.020
 CZ2      O1     AS        single      1.964    0.020
 CZ2      O2     AS        single      1.964    0.020
 CZ2      HO1    O1        single      0.967    0.020
 CZ2      HO2    O2        single      0.967    0.020
 CZ2      HN1    N         single      1.010    0.020
 CZ2      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
 CZ2      HN1    N      HN2     120.000    3.000
 CZ2      HN1    N      CA      120.000    3.000
 CZ2      HN2    N      CA      120.000    3.000
 CZ2      N      CA     HCA     109.470    3.000
 CZ2      N      CA     CB      109.470    3.000
 CZ2      N      CA     C       109.470    3.000
 CZ2      HCA    CA     CB      108.340    3.000
 CZ2      HCA    CA     C       108.810    3.000
 CZ2      CB     CA     C       109.470    3.000
 CZ2      CA     CB     HB2     109.470    3.000
 CZ2      CA     CB     HB3     109.470    3.000
 CZ2      CA     CB     SG      109.500    3.000
 CZ2      HB2    CB     HB3     107.900    3.000
 CZ2      HB2    CB     SG      109.500    3.000
 CZ2      HB3    CB     SG      109.500    3.000
 CZ2      CB     SG     AS      103.007    3.000
 CZ2      SG     AS     O2      120.000    3.000
 CZ2      SG     AS     O1      120.000    3.000
 CZ2      O2     AS     O1      120.000    3.000
 CZ2      AS     O2     HO2     120.000    3.000
 CZ2      AS     O1     HO1     120.000    3.000
 CZ2      CA     C      O       118.500    3.000
 CZ2      CA     C      OXT     118.500    3.000
 CZ2      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
 CZ2      var_1    HN2    N      CA     C        175.000   20.000   1
 CZ2      var_2    N      CA     CB     SG       -60.040   20.000   3
 CZ2      var_3    CA     CB     SG     AS        75.019   20.000   1
 CZ2      var_4    CB     SG     AS     O1        59.987   20.000   1
 CZ2      var_5    SG     AS     O2     HO2      179.978   20.000   1
 CZ2      var_6    SG     AS     O1     HO1     -179.954   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
 CZ2      chir_01  CA     N      CB     C         negativ
 CZ2      chir_02  AS     SG     O2     O1        both
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
 CZ2      plan-1    N         0.020
 CZ2      plan-1    CA        0.020
 CZ2      plan-1    HN1       0.020
 CZ2      plan-1    HN2       0.020
 CZ2      plan-2    C         0.020
 CZ2      plan-2    CA        0.020
 CZ2      plan-2    O         0.020
 CZ2      plan-2    OXT       0.020
# ------------------------------------------------------
