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
JZD      JZD '.                                   ' non-polymer        85  49 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_JZD
#
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
 JZD           CLAH   CL   CL        0.000      0.000    0.000    0.000
 JZD           CBQ    C    CR6       0.000      0.264   -0.419   -1.663
 JZD           CAT    C    CR16      0.000      1.348   -1.200   -2.015
 JZD           HAT    H    H         0.000      2.041   -1.539   -1.255
 JZD           CBM    C    CR6       0.000      1.549   -1.550   -3.344
 JZD           NBG    N    NH1       0.000      2.641   -2.351   -3.699
 JZD           HNBG   H    H         0.000      2.837   -2.534   -4.673
 JZD           CBS    C    CR6       0.000      3.454   -2.895   -2.713
 JZD           CAN    C    CR16      0.000      4.681   -2.311   -2.421
 JZD           HAN    H    H         0.000      5.005   -1.431   -2.962
 JZD           CAJ    C    CR16      0.000      5.487   -2.854   -1.440
 JZD           HAJ    H    H         0.000      6.444   -2.399   -1.219
 JZD           CBU    C    CR6       0.000      3.035   -4.029   -1.999
 JZD           CAP    C    CR16      0.000      3.864   -4.565   -1.009
 JZD           HAP    H    H         0.000      3.551   -5.442   -0.456
 JZD           CAL    C    CR16      0.000      5.079   -3.976   -0.737
 JZD           HAL    H    H         0.000      5.719   -4.392    0.030
 JZD           CBK    C    C         0.000      1.734   -4.653   -2.295
 JZD           OAD    O    OC       -0.500      1.343   -5.632   -1.622
 JZD           OAB    O    OC       -0.500      1.021   -4.205   -3.220
 JZD           CBW    C    CR6       0.000     -0.615    0.030   -2.640
 JZD           CBP    C    CR6       0.000     -0.410   -0.315   -3.968
 JZD           CAS    C    CR16      0.000      0.667   -1.106   -4.320
 JZD           HAS    H    H         0.000      0.822   -1.379   -5.356
 JZD           CLAG   CL   CL        0.000     -1.509    0.247   -5.189
 JZD           OBI    O    O2        0.000     -1.675    0.808   -2.295
 JZD           CBE    C    CH2       0.000     -2.894    0.136   -1.968
 JZD           HBE    H    H         0.000     -2.727   -0.528   -1.118
 JZD           HBEA   H    H         0.000     -3.227   -0.450   -2.827
 JZD           CBC    C    CH2       0.000     -3.964    1.169   -1.609
 JZD           HBC    H    H         0.000     -4.129    1.833   -2.460
 JZD           HBCA   H    H         0.000     -3.629    1.755   -0.751
 JZD           CBA    C    CH2       0.000     -5.269    0.450   -1.259
 JZD           HBA    H    H         0.000     -5.102   -0.213   -0.408
 JZD           HBAA   H    H         0.000     -5.601   -0.137   -2.118
 JZD           CAY    C    CH2       0.000     -6.339    1.483   -0.900
 JZD           HAY    H    H         0.000     -6.504    2.146   -1.752
 JZD           H38    H    H         0.000     -6.005    2.070   -0.042
 JZD           CAW    C    CH2       0.000     -7.644    0.763   -0.551
 JZD           HAW    H    H         0.000     -7.476    0.099    0.300
 JZD           H37    H    H         0.000     -7.976    0.176   -1.409
 JZD           CAU    C    CH2       0.000     -8.715    1.796   -0.191
 JZD           HAU    H    H         0.000     -8.880    2.459   -1.042
 JZD           HAUA   H    H         0.000     -8.380    2.382    0.667
 JZD           CAV    C    CH2       0.000    -10.020    1.077    0.159
 JZD           HAV    H    H         0.000     -9.852    0.414    1.010
 JZD           HAVA   H    H         0.000    -10.352    0.490   -0.700
 JZD           CAX    C    CH2       0.000    -11.090    2.110    0.518
 JZD           HAX    H    H         0.000    -11.255    2.773   -0.334
 JZD           HAXA   H    H         0.000    -10.755    2.697    1.376
 JZD           CAZ    C    CH2       0.000    -12.395    1.391    0.867
 JZD           HAZ    H    H         0.000    -12.227    0.727    1.718
 JZD           HAZA   H    H         0.000    -12.727    0.804    0.009
 JZD           CBB    C    CH2       0.000    -13.465    2.423    1.227
 JZD           HBB    H    H         0.000    -13.630    3.087    0.376
 JZD           HBBA   H    H         0.000    -13.130    3.010    2.085
 JZD           CBD    C    CH2       0.000    -14.770    1.704    1.577
 JZD           HBD    H    H         0.000    -14.602    1.040    2.427
 JZD           HBDA   H    H         0.000    -15.102    1.117    0.718
 JZD           OBH    O    O2        0.000    -15.769    2.669    1.912
 JZD           CBV    C    CR6       0.000    -16.998    2.192    2.251
 JZD           CBN    C    CR6       0.000    -17.288    1.897    3.575
 JZD           CAQ    C    CR16      0.000    -18.536    1.413    3.919
 JZD           HAQ    H    H         0.000    -18.762    1.183    4.952
 JZD           CLAE   CL   CL        0.000    -16.082    2.136    4.801
 JZD           CBO    C    CR6       0.000    -17.962    2.001    1.270
 JZD           CLAF   CL   CL        0.000    -17.596    2.362   -0.389
 JZD           CAR    C    CR16      0.000    -19.209    1.512    1.612
 JZD           HAR    H    H         0.000    -19.958    1.356    0.846
 JZD           CBL    C    CR6       0.000    -19.501    1.222    2.938
 JZD           NBF    N    NH1       0.000    -20.766    0.738    3.287
 JZD           HNBF   H    H         0.000    -21.009    0.611    4.259
 JZD           CBR    C    CR6       0.000    -21.689    0.431    2.295
 JZD           CAM    C    CR16      0.000    -22.729    1.308    2.014
 JZD           HAM    H    H         0.000    -22.822    2.234    2.569
 JZD           CAI    C    CR16      0.000    -23.646    1.000    1.029
 JZD           HAI    H    H         0.000    -24.455    1.687    0.814
 JZD           CBT    C    CR6       0.000    -21.583   -0.773    1.580
 JZD           CBJ    C    C         0.000    -20.491   -1.717    1.875
 JZD           OAC    O    OC       -0.500    -20.342   -2.740    1.171
 JZD           OAA    O    OC       -0.500    -19.714   -1.495    2.830
 JZD           CAO    C    CR16      0.000    -22.515   -1.067    0.581
 JZD           HAO    H    H         0.000    -22.435   -1.989    0.019
 JZD           CAK    C    CR16      0.000    -23.537   -0.181    0.313
 JZD           HAK    H    H         0.000    -24.258   -0.410   -0.462
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
 JZD      CLAH   n/a    CBQ    START
 JZD      CBQ    CLAH   CBW    .
 JZD      CAT    CBQ    CBM    .
 JZD      HAT    CAT    .      .
 JZD      CBM    CAT    NBG    .
 JZD      NBG    CBM    CBS    .
 JZD      HNBG   NBG    .      .
 JZD      CBS    NBG    CBU    .
 JZD      CAN    CBS    CAJ    .
 JZD      HAN    CAN    .      .
 JZD      CAJ    CAN    HAJ    .
 JZD      HAJ    CAJ    .      .
 JZD      CBU    CBS    CBK    .
 JZD      CAP    CBU    CAL    .
 JZD      HAP    CAP    .      .
 JZD      CAL    CAP    HAL    .
 JZD      HAL    CAL    .      .
 JZD      CBK    CBU    OAB    .
 JZD      OAD    CBK    .      .
 JZD      OAB    CBK    .      .
 JZD      CBW    CBQ    OBI    .
 JZD      CBP    CBW    CLAG   .
 JZD      CAS    CBP    HAS    .
 JZD      HAS    CAS    .      .
 JZD      CLAG   CBP    .      .
 JZD      OBI    CBW    CBE    .
 JZD      CBE    OBI    CBC    .
 JZD      HBE    CBE    .      .
 JZD      HBEA   CBE    .      .
 JZD      CBC    CBE    CBA    .
 JZD      HBC    CBC    .      .
 JZD      HBCA   CBC    .      .
 JZD      CBA    CBC    CAY    .
 JZD      HBA    CBA    .      .
 JZD      HBAA   CBA    .      .
 JZD      CAY    CBA    CAW    .
 JZD      HAY    CAY    .      .
 JZD      H38    CAY    .      .
 JZD      CAW    CAY    CAU    .
 JZD      HAW    CAW    .      .
 JZD      H37    CAW    .      .
 JZD      CAU    CAW    CAV    .
 JZD      HAU    CAU    .      .
 JZD      HAUA   CAU    .      .
 JZD      CAV    CAU    CAX    .
 JZD      HAV    CAV    .      .
 JZD      HAVA   CAV    .      .
 JZD      CAX    CAV    CAZ    .
 JZD      HAX    CAX    .      .
 JZD      HAXA   CAX    .      .
 JZD      CAZ    CAX    CBB    .
 JZD      HAZ    CAZ    .      .
 JZD      HAZA   CAZ    .      .
 JZD      CBB    CAZ    CBD    .
 JZD      HBB    CBB    .      .
 JZD      HBBA   CBB    .      .
 JZD      CBD    CBB    OBH    .
 JZD      HBD    CBD    .      .
 JZD      HBDA   CBD    .      .
 JZD      OBH    CBD    CBV    .
 JZD      CBV    OBH    CBO    .
 JZD      CBN    CBV    CLAE   .
 JZD      CAQ    CBN    HAQ    .
 JZD      HAQ    CAQ    .      .
 JZD      CLAE   CBN    .      .
 JZD      CBO    CBV    CAR    .
 JZD      CLAF   CBO    .      .
 JZD      CAR    CBO    CBL    .
 JZD      HAR    CAR    .      .
 JZD      CBL    CAR    NBF    .
 JZD      NBF    CBL    CBR    .
 JZD      HNBF   NBF    .      .
 JZD      CBR    NBF    CBT    .
 JZD      CAM    CBR    CAI    .
 JZD      HAM    CAM    .      .
 JZD      CAI    CAM    HAI    .
 JZD      HAI    CAI    .      .
 JZD      CBT    CBR    CAO    .
 JZD      CBJ    CBT    OAA    .
 JZD      OAC    CBJ    .      .
 JZD      OAA    CBJ    .      .
 JZD      CAO    CBT    CAK    .
 JZD      HAO    CAO    .      .
 JZD      CAK    CAO    HAK    .
 JZD      HAK    CAK    .      END
 JZD      CAI    CAK    .    ADD
 JZD      CAJ    CAL    .    ADD
 JZD      CAQ    CBL    .    ADD
 JZD      CAS    CBM    .    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
 JZD      OAA    CBJ       deloc       1.250    0.020
 JZD      OAB    CBK       deloc       1.250    0.020
 JZD      CLAE   CBN       single      1.795    0.020
 JZD      CLAF   CBO       single      1.795    0.020
 JZD      CAI    CAK       single      1.390    0.020
 JZD      HAI    CAI       single      1.083    0.020
 JZD      CAJ    CAN       single      1.390    0.020
 JZD      HAJ    CAJ       single      1.083    0.020
 JZD      HAK    CAK       single      1.083    0.020
 JZD      CAJ    CAL       double      1.390    0.020
 JZD      HAL    CAL       single      1.083    0.020
 JZD      CAI    CAM       double      1.390    0.020
 JZD      HAM    CAM       single      1.083    0.020
 JZD      HAN    CAN       single      1.083    0.020
 JZD      CAK    CAO       double      1.390    0.020
 JZD      HAO    CAO       single      1.083    0.020
 JZD      CAL    CAP       single      1.390    0.020
 JZD      CAP    CBU       double      1.390    0.020
 JZD      HAP    CAP       single      1.083    0.020
 JZD      CAQ    CBL       single      1.390    0.020
 JZD      HAQ    CAQ       single      1.083    0.020
 JZD      CBL    CAR       double      1.390    0.020
 JZD      HAR    CAR       single      1.083    0.020
 JZD      CAS    CBP       single      1.390    0.020
 JZD      HAS    CAS       single      1.083    0.020
 JZD      CAT    CBQ       double      1.390    0.020
 JZD      HAT    CAT       single      1.083    0.020
 JZD      CAV    CAU       single      1.524    0.020
 JZD      HAU    CAU       single      1.092    0.020
 JZD      HAUA   CAU       single      1.092    0.020
 JZD      CAX    CAV       single      1.524    0.020
 JZD      HAV    CAV       single      1.092    0.020
 JZD      HAVA   CAV       single      1.092    0.020
 JZD      CAU    CAW       single      1.524    0.020
 JZD      HAW    CAW       single      1.092    0.020
 JZD      CAZ    CAX       single      1.524    0.020
 JZD      HAX    CAX       single      1.092    0.020
 JZD      HAXA   CAX       single      1.092    0.020
 JZD      CAW    CAY       single      1.524    0.020
 JZD      HAY    CAY       single      1.092    0.020
 JZD      CBB    CAZ       single      1.524    0.020
 JZD      HAZ    CAZ       single      1.092    0.020
 JZD      HAZA   CAZ       single      1.092    0.020
 JZD      CAY    CBA       single      1.524    0.020
 JZD      HBA    CBA       single      1.092    0.020
 JZD      HBAA   CBA       single      1.092    0.020
 JZD      CBD    CBB       single      1.524    0.020
 JZD      HBB    CBB       single      1.092    0.020
 JZD      HBBA   CBB       single      1.092    0.020
 JZD      CBA    CBC       single      1.524    0.020
 JZD      HBC    CBC       single      1.092    0.020
 JZD      HBCA   CBC       single      1.092    0.020
 JZD      OBH    CBD       single      1.426    0.020
 JZD      HBD    CBD       single      1.092    0.020
 JZD      HBDA   CBD       single      1.092    0.020
 JZD      CBC    CBE       single      1.524    0.020
 JZD      HBE    CBE       single      1.092    0.020
 JZD      HBEA   CBE       single      1.092    0.020
 JZD      CBR    NBF       single      1.350    0.020
 JZD      HNBF   NBF       single      1.010    0.020
 JZD      NBG    CBM       single      1.350    0.020
 JZD      HNBG   NBG       single      1.010    0.020
 JZD      CBV    OBH       single      1.370    0.020
 JZD      CBE    OBI       single      1.426    0.020
 JZD      OAC    CBJ       deloc       1.250    0.020
 JZD      CBJ    CBT       single      1.500    0.020
 JZD      OAD    CBK       deloc       1.250    0.020
 JZD      CBK    CBU       single      1.500    0.020
 JZD      NBF    CBL       single      1.350    0.020
 JZD      CAS    CBM       double      1.390    0.020
 JZD      CBM    CAT       single      1.390    0.020
 JZD      CAQ    CBN       double      1.390    0.020
 JZD      CAR    CBO       single      1.390    0.020
 JZD      CLAG   CBP       single      1.795    0.020
 JZD      CBP    CBW       double      1.487    0.020
 JZD      CBQ    CLAH      single      1.795    0.020
 JZD      CBW    CBQ       single      1.487    0.020
 JZD      CAM    CBR       single      1.390    0.020
 JZD      CBT    CBR       double      1.487    0.020
 JZD      CAN    CBS       double      1.390    0.020
 JZD      CBS    NBG       single      1.350    0.020
 JZD      CAO    CBT       single      1.390    0.020
 JZD      CBU    CBS       single      1.487    0.020
 JZD      CBN    CBV       single      1.487    0.020
 JZD      CBO    CBV       double      1.487    0.020
 JZD      OBI    CBW       single      1.370    0.020
 JZD      H37    CAW       single      1.092    0.020
 JZD      H38    CAY       single      1.092    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
 JZD      CLAH   CBQ    CAT     120.000    3.000
 JZD      CLAH   CBQ    CBW     120.000    3.000
 JZD      CAT    CBQ    CBW     120.000    3.000
 JZD      CBQ    CAT    HAT     120.000    3.000
 JZD      CBQ    CAT    CBM     120.000    3.000
 JZD      HAT    CAT    CBM     120.000    3.000
 JZD      CAT    CBM    NBG     120.000    3.000
 JZD      CAT    CBM    CAS     120.000    3.000
 JZD      NBG    CBM    CAS     120.000    3.000
 JZD      CBM    NBG    HNBG    120.000    3.000
 JZD      CBM    NBG    CBS     120.000    3.000
 JZD      HNBG   NBG    CBS     120.000    3.000
 JZD      NBG    CBS    CAN     120.000    3.000
 JZD      NBG    CBS    CBU     120.000    3.000
 JZD      CAN    CBS    CBU     120.000    3.000
 JZD      CBS    CAN    HAN     120.000    3.000
 JZD      CBS    CAN    CAJ     120.000    3.000
 JZD      HAN    CAN    CAJ     120.000    3.000
 JZD      CAN    CAJ    HAJ     120.000    3.000
 JZD      CAN    CAJ    CAL     120.000    3.000
 JZD      HAJ    CAJ    CAL     120.000    3.000
 JZD      CBS    CBU    CAP     120.000    3.000
 JZD      CBS    CBU    CBK     120.000    3.000
 JZD      CAP    CBU    CBK     120.000    3.000
 JZD      CBU    CAP    HAP     120.000    3.000
 JZD      CBU    CAP    CAL     120.000    3.000
 JZD      HAP    CAP    CAL     120.000    3.000
 JZD      CAP    CAL    HAL     120.000    3.000
 JZD      CAP    CAL    CAJ     120.000    3.000
 JZD      HAL    CAL    CAJ     120.000    3.000
 JZD      CBU    CBK    OAD     120.000    3.000
 JZD      CBU    CBK    OAB     120.000    3.000
 JZD      OAD    CBK    OAB     123.000    3.000
 JZD      CBQ    CBW    CBP     120.000    3.000
 JZD      CBQ    CBW    OBI     120.000    3.000
 JZD      CBP    CBW    OBI     120.000    3.000
 JZD      CBW    CBP    CAS     120.000    3.000
 JZD      CBW    CBP    CLAG    120.000    3.000
 JZD      CAS    CBP    CLAG    120.000    3.000
 JZD      CBP    CAS    HAS     120.000    3.000
 JZD      CBP    CAS    CBM     120.000    3.000
 JZD      HAS    CAS    CBM     120.000    3.000
 JZD      CBW    OBI    CBE     120.000    3.000
 JZD      OBI    CBE    HBE     109.470    3.000
 JZD      OBI    CBE    HBEA    109.470    3.000
 JZD      OBI    CBE    CBC     109.470    3.000
 JZD      HBE    CBE    HBEA    107.900    3.000
 JZD      HBE    CBE    CBC     109.470    3.000
 JZD      HBEA   CBE    CBC     109.470    3.000
 JZD      CBE    CBC    HBC     109.470    3.000
 JZD      CBE    CBC    HBCA    109.470    3.000
 JZD      CBE    CBC    CBA     111.000    3.000
 JZD      HBC    CBC    HBCA    107.900    3.000
 JZD      HBC    CBC    CBA     109.470    3.000
 JZD      HBCA   CBC    CBA     109.470    3.000
 JZD      CBC    CBA    HBA     109.470    3.000
 JZD      CBC    CBA    HBAA    109.470    3.000
 JZD      CBC    CBA    CAY     111.000    3.000
 JZD      HBA    CBA    HBAA    107.900    3.000
 JZD      HBA    CBA    CAY     109.470    3.000
 JZD      HBAA   CBA    CAY     109.470    3.000
 JZD      CBA    CAY    HAY     109.470    3.000
 JZD      CBA    CAY    H38     109.470    3.000
 JZD      CBA    CAY    CAW     111.000    3.000
 JZD      HAY    CAY    H38     107.900    3.000
 JZD      HAY    CAY    CAW     109.470    3.000
 JZD      H38    CAY    CAW     109.470    3.000
 JZD      CAY    CAW    HAW     109.470    3.000
 JZD      CAY    CAW    H37     109.470    3.000
 JZD      CAY    CAW    CAU     111.000    3.000
 JZD      HAW    CAW    H37     107.900    3.000
 JZD      HAW    CAW    CAU     109.470    3.000
 JZD      H37    CAW    CAU     109.470    3.000
 JZD      CAW    CAU    HAU     109.470    3.000
 JZD      CAW    CAU    HAUA    109.470    3.000
 JZD      CAW    CAU    CAV     111.000    3.000
 JZD      HAU    CAU    HAUA    107.900    3.000
 JZD      HAU    CAU    CAV     109.470    3.000
 JZD      HAUA   CAU    CAV     109.470    3.000
 JZD      CAU    CAV    HAV     109.470    3.000
 JZD      CAU    CAV    HAVA    109.470    3.000
 JZD      CAU    CAV    CAX     111.000    3.000
 JZD      HAV    CAV    HAVA    107.900    3.000
 JZD      HAV    CAV    CAX     109.470    3.000
 JZD      HAVA   CAV    CAX     109.470    3.000
 JZD      CAV    CAX    HAX     109.470    3.000
 JZD      CAV    CAX    HAXA    109.470    3.000
 JZD      CAV    CAX    CAZ     111.000    3.000
 JZD      HAX    CAX    HAXA    107.900    3.000
 JZD      HAX    CAX    CAZ     109.470    3.000
 JZD      HAXA   CAX    CAZ     109.470    3.000
 JZD      CAX    CAZ    HAZ     109.470    3.000
 JZD      CAX    CAZ    HAZA    109.470    3.000
 JZD      CAX    CAZ    CBB     111.000    3.000
 JZD      HAZ    CAZ    HAZA    107.900    3.000
 JZD      HAZ    CAZ    CBB     109.470    3.000
 JZD      HAZA   CAZ    CBB     109.470    3.000
 JZD      CAZ    CBB    HBB     109.470    3.000
 JZD      CAZ    CBB    HBBA    109.470    3.000
 JZD      CAZ    CBB    CBD     111.000    3.000
 JZD      HBB    CBB    HBBA    107.900    3.000
 JZD      HBB    CBB    CBD     109.470    3.000
 JZD      HBBA   CBB    CBD     109.470    3.000
 JZD      CBB    CBD    HBD     109.470    3.000
 JZD      CBB    CBD    HBDA    109.470    3.000
 JZD      CBB    CBD    OBH     109.470    3.000
 JZD      HBD    CBD    HBDA    107.900    3.000
 JZD      HBD    CBD    OBH     109.470    3.000
 JZD      HBDA   CBD    OBH     109.470    3.000
 JZD      CBD    OBH    CBV     120.000    3.000
 JZD      OBH    CBV    CBN     120.000    3.000
 JZD      OBH    CBV    CBO     120.000    3.000
 JZD      CBN    CBV    CBO     120.000    3.000
 JZD      CBV    CBN    CAQ     120.000    3.000
 JZD      CBV    CBN    CLAE    120.000    3.000
 JZD      CAQ    CBN    CLAE    120.000    3.000
 JZD      CBN    CAQ    HAQ     120.000    3.000
 JZD      CBN    CAQ    CBL     120.000    3.000
 JZD      HAQ    CAQ    CBL     120.000    3.000
 JZD      CBV    CBO    CLAF    120.000    3.000
 JZD      CBV    CBO    CAR     120.000    3.000
 JZD      CLAF   CBO    CAR     120.000    3.000
 JZD      CBO    CAR    HAR     120.000    3.000
 JZD      CBO    CAR    CBL     120.000    3.000
 JZD      HAR    CAR    CBL     120.000    3.000
 JZD      CAR    CBL    NBF     120.000    3.000
 JZD      CAR    CBL    CAQ     120.000    3.000
 JZD      NBF    CBL    CAQ     120.000    3.000
 JZD      CBL    NBF    HNBF    120.000    3.000
 JZD      CBL    NBF    CBR     120.000    3.000
 JZD      HNBF   NBF    CBR     120.000    3.000
 JZD      NBF    CBR    CAM     120.000    3.000
 JZD      NBF    CBR    CBT     120.000    3.000
 JZD      CAM    CBR    CBT     120.000    3.000
 JZD      CBR    CAM    HAM     120.000    3.000
 JZD      CBR    CAM    CAI     120.000    3.000
 JZD      HAM    CAM    CAI     120.000    3.000
 JZD      CAM    CAI    HAI     120.000    3.000
 JZD      CAM    CAI    CAK     120.000    3.000
 JZD      HAI    CAI    CAK     120.000    3.000
 JZD      CBR    CBT    CBJ     120.000    3.000
 JZD      CBR    CBT    CAO     120.000    3.000
 JZD      CBJ    CBT    CAO     120.000    3.000
 JZD      CBT    CBJ    OAC     120.000    3.000
 JZD      CBT    CBJ    OAA     120.000    3.000
 JZD      OAC    CBJ    OAA     123.000    3.000
 JZD      CBT    CAO    HAO     120.000    3.000
 JZD      CBT    CAO    CAK     120.000    3.000
 JZD      HAO    CAO    CAK     120.000    3.000
 JZD      CAO    CAK    HAK     120.000    3.000
 JZD      CAO    CAK    CAI     120.000    3.000
 JZD      HAK    CAK    CAI     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
 JZD      CONST_1  CLAH   CBQ    CAT    CBM      180.000    0.000   0
 JZD      CONST_2  CBQ    CAT    CBM    NBG      180.000    0.000   0
 JZD      var_1    CAT    CBM    NBG    CBS        5.745   20.000   1
 JZD      var_2    CBM    NBG    CBS    CBU       78.392   20.000   1
 JZD      CONST_3  NBG    CBS    CAN    CAJ      180.000    0.000   0
 JZD      CONST_4  CBS    CAN    CAJ    CAL        0.000    0.000   0
 JZD      CONST_5  CAN    CAJ    CAL    CAP        0.000    0.000   0
 JZD      CONST_6  NBG    CBS    CBU    CBK        0.000    0.000   0
 JZD      CONST_7  CBS    CBU    CAP    CAL        0.000    0.000   0
 JZD      CONST_8  CBU    CAP    CAL    CAJ        0.000    0.000   0
 JZD      var_3    CBS    CBU    CBK    OAB        2.738   20.000   1
 JZD      CONST_9  CLAH   CBQ    CBW    OBI        0.000    0.000   0
 JZD      CONST_10 CBQ    CBW    CBP    CLAG     180.000    0.000   0
 JZD      CONST_11 CBW    CBP    CAS    CBM        0.000    0.000   0
 JZD      CONST_12 CBP    CAS    CBM    CAT        0.000    0.000   0
 JZD      var_4    CBQ    CBW    OBI    CBE      -90.017   20.000   1
 JZD      var_5    CBW    OBI    CBE    CBC      179.976   20.000   1
 JZD      var_6    OBI    CBE    CBC    CBA     -179.988   20.000   3
 JZD      var_7    CBE    CBC    CBA    CAY     -179.960   20.000   3
 JZD      var_8    CBC    CBA    CAY    CAW     -180.000   20.000   3
 JZD      var_9    CBA    CAY    CAW    CAU      179.964   20.000   3
 JZD      var_10   CAY    CAW    CAU    CAV      180.000   20.000   3
 JZD      var_11   CAW    CAU    CAV    CAX     -179.964   20.000   3
 JZD      var_12   CAU    CAV    CAX    CAZ      180.000   20.000   3
 JZD      var_13   CAV    CAX    CAZ    CBB      179.960   20.000   3
 JZD      var_14   CAX    CAZ    CBB    CBD     -180.000   20.000   3
 JZD      var_15   CAZ    CBB    CBD    OBH     -179.977   20.000   3
 JZD      var_16   CBB    CBD    OBH    CBV     -179.982   20.000   1
 JZD      var_17   CBD    OBH    CBV    CBO      -90.056   20.000   1
 JZD      CONST_13 OBH    CBV    CBN    CLAE       0.000    0.000   0
 JZD      CONST_14 CBV    CBN    CAQ    CBL        0.000    0.000   0
 JZD      CONST_15 CBN    CAQ    CBL    CAR        0.000    0.000   0
 JZD      CONST_16 OBH    CBV    CBO    CAR      180.000    0.000   0
 JZD      CONST_17 CBV    CBO    CAR    CBL        0.000    0.000   0
 JZD      CONST_18 CBO    CAR    CBL    NBF      180.000    0.000   0
 JZD      var_18   CAR    CBL    NBF    CBR        5.913   20.000   1
 JZD      var_19   CBL    NBF    CBR    CBT       78.485   20.000   1
 JZD      CONST_19 NBF    CBR    CAM    CAI      180.000    0.000   0
 JZD      CONST_20 CBR    CAM    CAI    CAK        0.000    0.000   0
 JZD      CONST_21 CAM    CAI    CAK    CAO        0.000    0.000   0
 JZD      CONST_22 NBF    CBR    CBT    CAO      180.000    0.000   0
 JZD      var_20   CBR    CBT    CBJ    OAA        5.246   20.000   1
 JZD      CONST_23 CBR    CBT    CAO    CAK        0.000    0.000   0
 JZD      CONST_24 CBT    CAO    CAK    CAI        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
 JZD      plan-1    CAI       0.020
 JZD      plan-1    CAK       0.020
 JZD      plan-1    CAM       0.020
 JZD      plan-1    HAI       0.020
 JZD      plan-1    CAO       0.020
 JZD      plan-1    CBR       0.020
 JZD      plan-1    CBT       0.020
 JZD      plan-1    HAK       0.020
 JZD      plan-1    HAM       0.020
 JZD      plan-1    HAO       0.020
 JZD      plan-1    NBF       0.020
 JZD      plan-1    CBJ       0.020
 JZD      plan-1    HNBF      0.020
 JZD      plan-2    CAJ       0.020
 JZD      plan-2    CAL       0.020
 JZD      plan-2    CAN       0.020
 JZD      plan-2    HAJ       0.020
 JZD      plan-2    CAP       0.020
 JZD      plan-2    CBS       0.020
 JZD      plan-2    CBU       0.020
 JZD      plan-2    HAL       0.020
 JZD      plan-2    HAN       0.020
 JZD      plan-2    HAP       0.020
 JZD      plan-2    NBG       0.020
 JZD      plan-2    CBK       0.020
 JZD      plan-2    HNBG      0.020
 JZD      plan-3    CAQ       0.020
 JZD      plan-3    CBL       0.020
 JZD      plan-3    CBN       0.020
 JZD      plan-3    HAQ       0.020
 JZD      plan-3    CAR       0.020
 JZD      plan-3    CBO       0.020
 JZD      plan-3    CBV       0.020
 JZD      plan-3    HAR       0.020
 JZD      plan-3    NBF       0.020
 JZD      plan-3    CLAE      0.020
 JZD      plan-3    CLAF      0.020
 JZD      plan-3    OBH       0.020
 JZD      plan-3    HNBF      0.020
 JZD      plan-4    CAS       0.020
 JZD      plan-4    CBM       0.020
 JZD      plan-4    CBP       0.020
 JZD      plan-4    HAS       0.020
 JZD      plan-4    CAT       0.020
 JZD      plan-4    CBQ       0.020
 JZD      plan-4    CBW       0.020
 JZD      plan-4    HAT       0.020
 JZD      plan-4    NBG       0.020
 JZD      plan-4    CLAG      0.020
 JZD      plan-4    CLAH      0.020
 JZD      plan-4    OBI       0.020
 JZD      plan-4    HNBG      0.020
 JZD      plan-5    NBF       0.020
 JZD      plan-5    CBL       0.020
 JZD      plan-5    CBR       0.020
 JZD      plan-5    HNBF      0.020
 JZD      plan-6    NBG       0.020
 JZD      plan-6    CBM       0.020
 JZD      plan-6    CBS       0.020
 JZD      plan-6    HNBG      0.020
 JZD      plan-7    CBJ       0.020
 JZD      plan-7    OAA       0.020
 JZD      plan-7    OAC       0.020
 JZD      plan-7    CBT       0.020
 JZD      plan-8    CBK       0.020
 JZD      plan-8    OAB       0.020
 JZD      plan-8    OAD       0.020
 JZD      plan-8    CBU       0.020
# ------------------------------------------------------
