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
NZA      NZA '5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENY' non-polymer        42  28 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NZA
#
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
 NZA           CLAD   CL   CL        0.000      0.000    0.000    0.000
 NZA           CAU    C    CR6       0.000     -1.647    0.227    0.500
 NZA           CAL    C    CR16      0.000     -2.207    1.498    0.476
 NZA           HAL    H    H         0.000     -1.611    2.340    0.144
 NZA           CAO    C    CR16      0.000     -3.511    1.699    0.869
 NZA           HAO    H    H         0.000     -3.938    2.694    0.846
 NZA           CAP    C    CR16      0.000     -2.383   -0.847    0.915
 NZA           HAP    H    H         0.000     -1.940   -1.836    0.931
 NZA           CAZ    C    CR56      0.000     -3.709   -0.666    1.318
 NZA           CAX    C    CR5       0.000     -4.749   -1.579    1.801
 NZA           SAR    S    S2        0.000     -4.599   -3.320    2.030
 NZA           CAW    C    CR6       0.000     -5.097   -3.883    0.437
 NZA           CAI    C    CR16      0.000     -5.129   -5.243    0.157
 NZA           HAI    H    H         0.000     -4.842   -5.960    0.917
 NZA           CAG    C    CR16      0.000     -5.526   -5.681   -1.090
 NZA           HAG    H    H         0.000     -5.562   -6.742   -1.305
 NZA           CAE    C    CR16      0.000     -5.879   -4.766   -2.066
 NZA           HAE    H    H         0.000     -6.186   -5.112   -3.045
 NZA           CAF    C    CR16      0.000     -5.842   -3.410   -1.794
 NZA           HAF    H    H         0.000     -6.119   -2.697   -2.560
 NZA           CAH    C    CR16      0.000     -5.452   -2.966   -0.545
 NZA           HAH    H    H         0.000     -5.423   -1.905   -0.332
 NZA           CAY    C    CR5       0.000     -5.872   -0.809    2.040
 NZA           CAS    C    C         0.000     -7.114   -1.290    2.514
 NZA           OAA    O    OC       -0.500     -7.263   -2.508    2.756
 NZA           OAB    O    OC       -0.500     -8.065   -0.497    2.693
 NZA           CBA    C    CR56      0.000     -4.280    0.619    1.295
 NZA           NBB    N    NR5       0.000     -5.580    0.515    1.735
 NZA           CAQ    C    CH2       0.000     -6.519    1.634    1.859
 NZA           HAQ1   H    H         0.000     -5.966    2.550    2.078
 NZA           HAQ2   H    H         0.000     -7.222    1.431    2.670
 NZA           CAV    C    CR6       0.000     -7.276    1.799    0.566
 NZA           CAM    C    CR16      0.000     -8.466    1.124    0.371
 NZA           HAM    H    H         0.000     -8.854    0.476    1.147
 NZA           CAN    C    CR16      0.000     -6.780    2.628   -0.423
 NZA           HAN    H    H         0.000     -5.848    3.158   -0.269
 NZA           CAK    C    CR16      0.000     -7.473    2.780   -1.609
 NZA           HAK    H    H         0.000     -7.084    3.429   -2.384
 NZA           CAT    C    CR6       0.000     -8.664    2.105   -1.805
 NZA           CLAC   CL   CL        0.000     -9.537    2.297   -3.294
 NZA           CAJ    C    CR16      0.000     -9.161    1.277   -0.814
 NZA           HAJ    H    H         0.000    -10.093    0.748   -0.967
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
 NZA      CLAD   n/a    CAU    START
 NZA      CAU    CLAD   CAP    .
 NZA      CAL    CAU    CAO    .
 NZA      HAL    CAL    .      .
 NZA      CAO    CAL    HAO    .
 NZA      HAO    CAO    .      .
 NZA      CAP    CAU    CAZ    .
 NZA      HAP    CAP    .      .
 NZA      CAZ    CAP    CBA    .
 NZA      CAX    CAZ    CAY    .
 NZA      SAR    CAX    CAW    .
 NZA      CAW    SAR    CAI    .
 NZA      CAI    CAW    CAG    .
 NZA      HAI    CAI    .      .
 NZA      CAG    CAI    CAE    .
 NZA      HAG    CAG    .      .
 NZA      CAE    CAG    CAF    .
 NZA      HAE    CAE    .      .
 NZA      CAF    CAE    CAH    .
 NZA      HAF    CAF    .      .
 NZA      CAH    CAF    HAH    .
 NZA      HAH    CAH    .      .
 NZA      CAY    CAX    CAS    .
 NZA      CAS    CAY    OAB    .
 NZA      OAA    CAS    .      .
 NZA      OAB    CAS    .      .
 NZA      CBA    CAZ    NBB    .
 NZA      NBB    CBA    CAQ    .
 NZA      CAQ    NBB    CAV    .
 NZA      HAQ1   CAQ    .      .
 NZA      HAQ2   CAQ    .      .
 NZA      CAV    CAQ    CAN    .
 NZA      CAM    CAV    HAM    .
 NZA      HAM    CAM    .      .
 NZA      CAN    CAV    CAK    .
 NZA      HAN    CAN    .      .
 NZA      CAK    CAN    CAT    .
 NZA      HAK    CAK    .      .
 NZA      CAT    CAK    CAJ    .
 NZA      CLAC   CAT    .      .
 NZA      CAJ    CAT    HAJ    .
 NZA      HAJ    CAJ    .      END
 NZA      CAM    CAJ    .    ADD
 NZA      NBB    CAY    .    ADD
 NZA      CBA    CAO    .    ADD
 NZA      CAW    CAH    .    ADD
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
 NZA      CAM    CAJ       single      1.390    0.020
 NZA      CAM    CAV       double      1.390    0.020
 NZA      HAM    CAM       single      1.083    0.020
 NZA      CAJ    CAT       double      1.390    0.020
 NZA      HAJ    CAJ       single      1.083    0.020
 NZA      CLAC   CAT       single      1.795    0.020
 NZA      CAT    CAK       single      1.390    0.020
 NZA      CAK    CAN       double      1.390    0.020
 NZA      HAK    CAK       single      1.083    0.020
 NZA      CAN    CAV       single      1.390    0.020
 NZA      HAN    CAN       single      1.083    0.020
 NZA      CAV    CAQ       single      1.511    0.020
 NZA      CAQ    NBB       single      1.462    0.020
 NZA      HAQ1   CAQ       single      1.092    0.020
 NZA      HAQ2   CAQ       single      1.092    0.020
 NZA      NBB    CBA       single      1.337    0.020
 NZA      NBB    CAY       single      1.337    0.020
 NZA      CAS    CAY       single      1.490    0.020
 NZA      CAY    CAX       double      1.490    0.020
 NZA      OAA    CAS       deloc       1.250    0.020
 NZA      OAB    CAS       deloc       1.250    0.020
 NZA      CBA    CAO       single      1.390    0.020
 NZA      CBA    CAZ       double      1.490    0.020
 NZA      CAO    CAL       double      1.390    0.020
 NZA      HAO    CAO       single      1.083    0.020
 NZA      CAL    CAU       single      1.390    0.020
 NZA      HAL    CAL       single      1.083    0.020
 NZA      CAU    CLAD      single      1.795    0.020
 NZA      CAP    CAU       double      1.390    0.020
 NZA      CAZ    CAP       single      1.390    0.020
 NZA      HAP    CAP       single      1.083    0.020
 NZA      CAX    CAZ       single      1.490    0.020
 NZA      SAR    CAX       single      1.745    0.020
 NZA      CAW    SAR       single      1.695    0.020
 NZA      CAI    CAW       double      1.390    0.020
 NZA      CAW    CAH       single      1.390    0.020
 NZA      CAH    CAF       double      1.390    0.020
 NZA      HAH    CAH       single      1.083    0.020
 NZA      CAF    CAE       single      1.390    0.020
 NZA      HAF    CAF       single      1.083    0.020
 NZA      CAE    CAG       double      1.390    0.020
 NZA      HAE    CAE       single      1.083    0.020
 NZA      CAG    CAI       single      1.390    0.020
 NZA      HAG    CAG       single      1.083    0.020
 NZA      HAI    CAI       single      1.083    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
 NZA      CLAD   CAU    CAL     120.000    3.000
 NZA      CLAD   CAU    CAP     120.000    3.000
 NZA      CAL    CAU    CAP     120.000    3.000
 NZA      CAU    CAL    HAL     120.000    3.000
 NZA      CAU    CAL    CAO     120.000    3.000
 NZA      HAL    CAL    CAO     120.000    3.000
 NZA      CAL    CAO    HAO     120.000    3.000
 NZA      CAL    CAO    CBA     120.000    3.000
 NZA      HAO    CAO    CBA     120.000    3.000
 NZA      CAU    CAP    HAP     120.000    3.000
 NZA      CAU    CAP    CAZ     120.000    3.000
 NZA      HAP    CAP    CAZ     120.000    3.000
 NZA      CAP    CAZ    CAX     126.000    3.000
 NZA      CAP    CAZ    CBA     120.000    3.000
 NZA      CAX    CAZ    CBA     108.000    3.000
 NZA      CAZ    CAX    SAR     108.000    3.000
 NZA      CAZ    CAX    CAY     108.000    3.000
 NZA      SAR    CAX    CAY     108.000    3.000
 NZA      CAX    SAR    CAW      99.997    3.000
 NZA      SAR    CAW    CAI     120.000    3.000
 NZA      SAR    CAW    CAH     120.000    3.000
 NZA      CAI    CAW    CAH     120.000    3.000
 NZA      CAW    CAI    HAI     120.000    3.000
 NZA      CAW    CAI    CAG     120.000    3.000
 NZA      HAI    CAI    CAG     120.000    3.000
 NZA      CAI    CAG    HAG     120.000    3.000
 NZA      CAI    CAG    CAE     120.000    3.000
 NZA      HAG    CAG    CAE     120.000    3.000
 NZA      CAG    CAE    HAE     120.000    3.000
 NZA      CAG    CAE    CAF     120.000    3.000
 NZA      HAE    CAE    CAF     120.000    3.000
 NZA      CAE    CAF    HAF     120.000    3.000
 NZA      CAE    CAF    CAH     120.000    3.000
 NZA      HAF    CAF    CAH     120.000    3.000
 NZA      CAF    CAH    HAH     120.000    3.000
 NZA      CAF    CAH    CAW     120.000    3.000
 NZA      HAH    CAH    CAW     120.000    3.000
 NZA      CAX    CAY    CAS     117.000    3.000
 NZA      CAX    CAY    NBB     108.000    3.000
 NZA      CAS    CAY    NBB     126.000    3.000
 NZA      CAY    CAS    OAA     120.000    3.000
 NZA      CAY    CAS    OAB     120.000    3.000
 NZA      OAA    CAS    OAB     123.000    3.000
 NZA      CAZ    CBA    NBB     108.000    3.000
 NZA      CAZ    CBA    CAO     120.000    3.000
 NZA      NBB    CBA    CAO     132.000    3.000
 NZA      CBA    NBB    CAQ     126.000    3.000
 NZA      CBA    NBB    CAY     108.000    3.000
 NZA      CAQ    NBB    CAY     126.000    3.000
 NZA      NBB    CAQ    HAQ1    109.500    3.000
 NZA      NBB    CAQ    HAQ2    109.500    3.000
 NZA      NBB    CAQ    CAV     109.500    3.000
 NZA      HAQ1   CAQ    HAQ2    107.900    3.000
 NZA      HAQ1   CAQ    CAV     109.470    3.000
 NZA      HAQ2   CAQ    CAV     109.470    3.000
 NZA      CAQ    CAV    CAM     120.000    3.000
 NZA      CAQ    CAV    CAN     120.000    3.000
 NZA      CAM    CAV    CAN     120.000    3.000
 NZA      CAV    CAM    HAM     120.000    3.000
 NZA      CAV    CAM    CAJ     120.000    3.000
 NZA      HAM    CAM    CAJ     120.000    3.000
 NZA      CAV    CAN    HAN     120.000    3.000
 NZA      CAV    CAN    CAK     120.000    3.000
 NZA      HAN    CAN    CAK     120.000    3.000
 NZA      CAN    CAK    HAK     120.000    3.000
 NZA      CAN    CAK    CAT     120.000    3.000
 NZA      HAK    CAK    CAT     120.000    3.000
 NZA      CAK    CAT    CLAC    120.000    3.000
 NZA      CAK    CAT    CAJ     120.000    3.000
 NZA      CLAC   CAT    CAJ     120.000    3.000
 NZA      CAT    CAJ    HAJ     120.000    3.000
 NZA      CAT    CAJ    CAM     120.000    3.000
 NZA      HAJ    CAJ    CAM     120.000    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
 NZA      CONST_1  CLAD   CAU    CAL    CAO      180.000    0.000   0
 NZA      CONST_2  CAU    CAL    CAO    CBA        0.000    0.000   0
 NZA      CONST_3  CLAD   CAU    CAP    CAZ      180.000    0.000   0
 NZA      CONST_4  CAU    CAP    CAZ    CBA        0.000    0.000   0
 NZA      CONST_5  CAP    CAZ    CAX    CAY      180.000    0.000   0
 NZA      var_1    CAZ    CAX    SAR    CAW      -89.854   20.000   1
 NZA      var_2    CAX    SAR    CAW    CAI      179.932   20.000   1
 NZA      CONST_6  SAR    CAW    CAH    CAF      180.000    0.000   0
 NZA      CONST_7  SAR    CAW    CAI    CAG      180.000    0.000   0
 NZA      CONST_8  CAW    CAI    CAG    CAE        0.000    0.000   0
 NZA      CONST_9  CAI    CAG    CAE    CAF        0.000    0.000   0
 NZA      CONST_10 CAG    CAE    CAF    CAH        0.000    0.000   0
 NZA      CONST_11 CAE    CAF    CAH    CAW        0.000    0.000   0
 NZA      CONST_12 CAZ    CAX    CAY    CAS      180.000    0.000   0
 NZA      var_3    CAX    CAY    CAS    OAB     -179.947   20.000   1
 NZA      CONST_13 CAP    CAZ    CBA    NBB      180.000    0.000   0
 NZA      CONST_14 CAZ    CBA    CAO    CAL        0.000    0.000   0
 NZA      CONST_15 CAZ    CBA    NBB    CAQ      180.000    0.000   0
 NZA      CONST_16 CBA    NBB    CAY    CAX        0.000    0.000   0
 NZA      var_4    CBA    NBB    CAQ    CAV       90.016   20.000   1
 NZA      var_5    NBB    CAQ    CAV    CAN      -90.065   20.000   2
 NZA      CONST_17 CAQ    CAV    CAM    CAJ      180.000    0.000   0
 NZA      CONST_18 CAV    CAM    CAJ    CAT        0.000    0.000   0
 NZA      CONST_19 CAQ    CAV    CAN    CAK      180.000    0.000   0
 NZA      CONST_20 CAV    CAN    CAK    CAT        0.000    0.000   0
 NZA      CONST_21 CAN    CAK    CAT    CAJ        0.000    0.000   0
 NZA      CONST_22 CAK    CAT    CAJ    CAM        0.000    0.000   0
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
 NZA      plan-1    CAM       0.020
 NZA      plan-1    CAJ       0.020
 NZA      plan-1    CAV       0.020
 NZA      plan-1    HAM       0.020
 NZA      plan-1    CAT       0.020
 NZA      plan-1    CAK       0.020
 NZA      plan-1    CAN       0.020
 NZA      plan-1    HAJ       0.020
 NZA      plan-1    CLAC      0.020
 NZA      plan-1    HAK       0.020
 NZA      plan-1    HAN       0.020
 NZA      plan-1    CAQ       0.020
 NZA      plan-2    NBB       0.020
 NZA      plan-2    CAQ       0.020
 NZA      plan-2    CAY       0.020
 NZA      plan-2    CBA       0.020
 NZA      plan-2    CAX       0.020
 NZA      plan-2    CAS       0.020
 NZA      plan-2    CAO       0.020
 NZA      plan-2    CAZ       0.020
 NZA      plan-2    CAL       0.020
 NZA      plan-2    CAU       0.020
 NZA      plan-2    CAP       0.020
 NZA      plan-2    HAO       0.020
 NZA      plan-2    HAL       0.020
 NZA      plan-2    CLAD      0.020
 NZA      plan-2    HAP       0.020
 NZA      plan-2    SAR       0.020
 NZA      plan-3    CAS       0.020
 NZA      plan-3    CAY       0.020
 NZA      plan-3    OAB       0.020
 NZA      plan-3    OAA       0.020
 NZA      plan-4    CAW       0.020
 NZA      plan-4    SAR       0.020
 NZA      plan-4    CAH       0.020
 NZA      plan-4    CAI       0.020
 NZA      plan-4    CAF       0.020
 NZA      plan-4    CAE       0.020
 NZA      plan-4    CAG       0.020
 NZA      plan-4    HAH       0.020
 NZA      plan-4    HAF       0.020
 NZA      plan-4    HAE       0.020
 NZA      plan-4    HAG       0.020
 NZA      plan-4    HAI       0.020
# ------------------------------------------------------
