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
POZ      POZ '.                                   ' non-polymer        93  51 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_POZ
#
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
 POZ           FAF    F    F         0.000      0.000    0.000    0.000
 POZ           CAP    C    CR6       0.000     -0.533    0.268    1.213
 POZ           CBO    C    CR6       0.000     -1.906    0.376    1.357
 POZ           CBJ    C    CR16      0.000     -2.451    0.652    2.596
 POZ           HBJ    H    H         0.000     -3.525    0.746    2.707
 POZ           CAR    C    CR16      0.000     -1.628    0.807    3.696
 POZ           HAR    H    H         0.000     -2.057    1.010    4.669
 POZ           CBI    C    CR6       0.000     -0.254    0.705    3.553
 POZ           CAG    C    CR16      0.000      0.293    0.435    2.311
 POZ           HAG    H    H         0.000      1.367    0.356    2.198
 POZ           FAE    F    F         0.000      0.551    0.868    4.625
 POZ           CBY    C    CT        0.000     -2.805    0.207    0.160
 POZ           CBA    C    CH2       0.000     -2.453    1.261   -0.913
 POZ           HBAA   H    H         0.000     -1.850    0.854   -1.728
 POZ           HBA    H    H         0.000     -1.956    2.140   -0.498
 POZ           CBC    C    CH2       0.000     -2.637   -1.199   -0.421
 POZ           HBC    H    H         0.000     -1.603   -1.339   -0.741
 POZ           HBCA   H    H         0.000     -3.303   -1.320   -1.278
 POZ           NBV    N    NR5       0.000     -2.972   -2.192    0.603
 POZ           CAS    C    CR15      0.000     -3.875   -3.183    0.499
 POZ           HAS    H    H         0.000     -4.492   -3.393   -0.366
 POZ           NBD    N    NRD5      0.000     -3.879   -3.849    1.625
 POZ           NBE    N    NRD5      0.000     -2.422   -2.292    1.891
 POZ           CAQ    C    CR15      0.000     -3.000   -3.311    2.470
 POZ           HAQ    H    H         0.000     -2.798   -3.662    3.475
 POZ           OBH    O    O2        0.000     -4.169    0.418    0.542
 POZ           CBR    C    CH1       0.000     -4.709    1.544   -0.167
 POZ           HBR    H    H         0.000     -4.615    2.457    0.439
 POZ           CAV    C    CH2       0.000     -3.853    1.661   -1.453
 POZ           HAVA   H    H         0.000     -3.812    2.674   -1.858
 POZ           HAV    H    H         0.000     -4.153    0.967   -2.240
 POZ           CBB    C    CH2       0.000     -6.175    1.292   -0.526
 POZ           HBB    H    H         0.000     -6.267    0.321   -1.016
 POZ           HBBA   H    H         0.000     -6.523    2.075   -1.202
 POZ           OBG    O    O2        0.000     -6.965    1.303    0.666
 POZ           CBK    C    CR6       0.000     -8.301    1.094    0.521
 POZ           CAH    C    CR16      0.000     -9.127    1.091    1.636
 POZ           HAH    H    H         0.000     -8.707    1.256    2.620
 POZ           CAI    C    CR16      0.000     -8.837    0.881   -0.740
 POZ           HAI    H    H         0.000     -8.192    0.882   -1.610
 POZ           CAK    C    CR16      0.000    -10.195    0.668   -0.887
 POZ           HAK    H    H         0.000    -10.613    0.503   -1.873
 POZ           CBL    C    CR6       0.000    -11.021    0.666    0.228
 POZ           CAJ    C    CR16      0.000    -10.483    0.878    1.491
 POZ           HAJ    H    H         0.000    -11.128    0.877    2.361
 POZ           NBT    N    NT        0.000    -12.395    0.449    0.080
 POZ           CAW    C    CH2       0.000    -12.748    0.248   -1.332
 POZ           HAWA   H    H         0.000    -12.170   -0.586   -1.736
 POZ           HAW    H    H         0.000    -12.521    1.155   -1.897
 POZ           CAX    C    CH2       0.000    -13.169    1.556    0.661
 POZ           HAX    H    H         0.000    -12.947    2.478    0.120
 POZ           HAXA   H    H         0.000    -12.898    1.678    1.711
 POZ           CAZ    C    CH2       0.000    -14.663    1.245    0.550
 POZ           HAZ    H    H         0.000    -15.241    2.078    0.956
 POZ           HAZA   H    H         0.000    -14.890    0.338    1.115
 POZ           NBU    N    NT        0.000    -15.015    1.044   -0.863
 POZ           CAY    C    CH2       0.000    -14.243   -0.063   -1.443
 POZ           HAYA   H    H         0.000    -14.513   -0.185   -2.494
 POZ           HAY    H    H         0.000    -14.465   -0.986   -0.903
 POZ           CBM    C    CR6       0.000    -16.389    0.827   -1.011
 POZ           CAL    C    CR16      0.000    -17.296    1.762   -0.526
 POZ           HAL    H    H         0.000    -16.939    2.658   -0.033
 POZ           CAM    C    CR16      0.000    -16.848   -0.321   -1.643
 POZ           HAM    H    H         0.000    -16.141   -1.045   -2.029
 POZ           CAO    C    CR16      0.000    -18.204   -0.540   -1.777
 POZ           HAO    H    H         0.000    -18.562   -1.443   -2.257
 POZ           CBN    C    CR6       0.000    -19.110    0.397   -1.299
 POZ           CAN    C    CR16      0.000    -18.652    1.548   -0.673
 POZ           HAN    H    H         0.000    -19.358    2.279   -0.300
 POZ           NBW    N    NR5       0.000    -20.488    0.180   -1.448
 POZ           CAT    C    CR15      0.000    -21.487    1.022   -1.019
 POZ           HAT    H    H         0.000    -21.340    1.967   -0.511
 POZ           CBP    C    CR5       0.000    -21.061   -0.892   -2.032
 POZ           OAC    O    O         0.000    -20.477   -1.841   -2.524
 POZ           NBX    N    NR5       0.000    -22.397   -0.722   -1.966
 POZ           NBF    N    NRD5      0.000    -22.631    0.501   -1.324
 POZ           CBS    C    CH1       0.000    -23.415   -1.642   -2.479
 POZ           HBS    H    H         0.000    -22.925   -2.516   -2.930
 POZ           CBQ    C    CH1       0.000    -24.260   -0.930   -3.537
 POZ           HBQ    H    H         0.000    -25.024   -1.621   -3.922
 POZ           OAD    O    OH1       0.000    -24.898    0.207   -2.951
 POZ           HOAD   H    H         0.000    -24.226    0.814   -2.613
 POZ           CAB    C    CH3       0.000    -23.360   -0.473   -4.686
 POZ           HABB   H    H         0.000    -22.887   -1.315   -5.122
 POZ           HABA   H    H         0.000    -23.944    0.021   -5.419
 POZ           HAB    H    H         0.000    -22.623    0.192   -4.316
 POZ           CAU    C    CH2       0.000    -24.316   -2.099   -1.330
 POZ           HAU    H    H         0.000    -25.128   -2.713   -1.726
 POZ           HAUA   H    H         0.000    -24.734   -1.225   -0.827
 POZ           CAA    C    CH3       0.000    -23.495   -2.919   -0.333
 POZ           HAAB   H    H         0.000    -23.088   -3.768   -0.820
 POZ           HAAA   H    H         0.000    -22.706   -2.325    0.053
 POZ           HAA    H    H         0.000    -24.116   -3.237    0.465
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
 POZ      FAF    n/a    CAP    START
 POZ      CAP    FAF    CBO    .
 POZ      CBO    CAP    CBY    .
 POZ      CBJ    CBO    CAR    .
 POZ      HBJ    CBJ    .      .
 POZ      CAR    CBJ    CBI    .
 POZ      HAR    CAR    .      .
 POZ      CBI    CAR    FAE    .
 POZ      CAG    CBI    HAG    .
 POZ      HAG    CAG    .      .
 POZ      FAE    CBI    .      .
 POZ      CBY    CBO    OBH    .
 POZ      CBA    CBY    HBA    .
 POZ      HBAA   CBA    .      .
 POZ      HBA    CBA    .      .
 POZ      CBC    CBY    NBV    .
 POZ      HBC    CBC    .      .
 POZ      HBCA   CBC    .      .
 POZ      NBV    CBC    NBE    .
 POZ      CAS    NBV    NBD    .
 POZ      HAS    CAS    .      .
 POZ      NBD    CAS    .      .
 POZ      NBE    NBV    CAQ    .
 POZ      CAQ    NBE    HAQ    .
 POZ      HAQ    CAQ    .      .
 POZ      OBH    CBY    CBR    .
 POZ      CBR    OBH    CBB    .
 POZ      HBR    CBR    .      .
 POZ      CAV    CBR    HAV    .
 POZ      HAVA   CAV    .      .
 POZ      HAV    CAV    .      .
 POZ      CBB    CBR    OBG    .
 POZ      HBB    CBB    .      .
 POZ      HBBA   CBB    .      .
 POZ      OBG    CBB    CBK    .
 POZ      CBK    OBG    CAI    .
 POZ      CAH    CBK    HAH    .
 POZ      HAH    CAH    .      .
 POZ      CAI    CBK    CAK    .
 POZ      HAI    CAI    .      .
 POZ      CAK    CAI    CBL    .
 POZ      HAK    CAK    .      .
 POZ      CBL    CAK    NBT    .
 POZ      CAJ    CBL    HAJ    .
 POZ      HAJ    CAJ    .      .
 POZ      NBT    CBL    CAX    .
 POZ      CAW    NBT    HAW    .
 POZ      HAWA   CAW    .      .
 POZ      HAW    CAW    .      .
 POZ      CAX    NBT    CAZ    .
 POZ      HAX    CAX    .      .
 POZ      HAXA   CAX    .      .
 POZ      CAZ    CAX    NBU    .
 POZ      HAZ    CAZ    .      .
 POZ      HAZA   CAZ    .      .
 POZ      NBU    CAZ    CBM    .
 POZ      CAY    NBU    HAY    .
 POZ      HAYA   CAY    .      .
 POZ      HAY    CAY    .      .
 POZ      CBM    NBU    CAM    .
 POZ      CAL    CBM    HAL    .
 POZ      HAL    CAL    .      .
 POZ      CAM    CBM    CAO    .
 POZ      HAM    CAM    .      .
 POZ      CAO    CAM    CBN    .
 POZ      HAO    CAO    .      .
 POZ      CBN    CAO    NBW    .
 POZ      CAN    CBN    HAN    .
 POZ      HAN    CAN    .      .
 POZ      NBW    CBN    CBP    .
 POZ      CAT    NBW    HAT    .
 POZ      HAT    CAT    .      .
 POZ      CBP    NBW    NBX    .
 POZ      OAC    CBP    .      .
 POZ      NBX    CBP    CBS    .
 POZ      NBF    NBX    .      .
 POZ      CBS    NBX    CAU    .
 POZ      HBS    CBS    .      .
 POZ      CBQ    CBS    CAB    .
 POZ      HBQ    CBQ    .      .
 POZ      OAD    CBQ    HOAD   .
 POZ      HOAD   OAD    .      .
 POZ      CAB    CBQ    HAB    .
 POZ      HABB   CAB    .      .
 POZ      HABA   CAB    .      .
 POZ      HAB    CAB    .      .
 POZ      CAU    CBS    CAA    .
 POZ      HAU    CAU    .      .
 POZ      HAUA   CAU    .      .
 POZ      CAA    CAU    HAA    .
 POZ      HAAB   CAA    .      .
 POZ      HAAA   CAA    .      .
 POZ      HAA    CAA    .      END
 POZ      CAG    CAP    .    ADD
 POZ      CAH    CAJ    .    ADD
 POZ      CAL    CAN    .    ADD
 POZ      CAQ    NBD    .    ADD
 POZ      CAT    NBF    .    ADD
 POZ      CAV    CBA    .    ADD
 POZ      CAW    CAY    .    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
 POZ      CAA    CAU       single      1.513    0.020
 POZ      HAA    CAA       single      1.059    0.020
 POZ      HAAA   CAA       single      1.059    0.020
 POZ      HAAB   CAA       single      1.059    0.020
 POZ      CAB    CBQ       single      1.524    0.020
 POZ      HAB    CAB       single      1.059    0.020
 POZ      HABA   CAB       single      1.059    0.020
 POZ      HABB   CAB       single      1.059    0.020
 POZ      OAC    CBP       double      1.285    0.020
 POZ      OAD    CBQ       single      1.432    0.020
 POZ      HOAD   OAD       single      0.967    0.020
 POZ      FAE    CBI       single      1.345    0.020
 POZ      CAP    FAF       single      1.345    0.020
 POZ      CAG    CBI       double      1.390    0.020
 POZ      CAG    CAP       single      1.390    0.020
 POZ      HAG    CAG       single      1.083    0.020
 POZ      CAH    CBK       double      1.390    0.020
 POZ      CAH    CAJ       single      1.390    0.020
 POZ      HAH    CAH       single      1.083    0.020
 POZ      CAI    CBK       single      1.390    0.020
 POZ      CAK    CAI       double      1.390    0.020
 POZ      HAI    CAI       single      1.083    0.020
 POZ      CAJ    CBL       double      1.390    0.020
 POZ      HAJ    CAJ       single      1.083    0.020
 POZ      CBL    CAK       single      1.390    0.020
 POZ      HAK    CAK       single      1.083    0.020
 POZ      CAL    CBM       double      1.390    0.020
 POZ      CAL    CAN       single      1.390    0.020
 POZ      HAL    CAL       single      1.083    0.020
 POZ      CAM    CBM       single      1.390    0.020
 POZ      CAO    CAM       double      1.390    0.020
 POZ      HAM    CAM       single      1.083    0.020
 POZ      CAN    CBN       double      1.390    0.020
 POZ      HAN    CAN       single      1.083    0.020
 POZ      CBN    CAO       single      1.390    0.020
 POZ      HAO    CAO       single      1.083    0.020
 POZ      CBO    CAP       double      1.487    0.020
 POZ      CAQ    NBD       single      1.350    0.020
 POZ      CAQ    NBE       double      1.350    0.020
 POZ      HAQ    CAQ       single      1.083    0.020
 POZ      CAR    CBJ       double      1.390    0.020
 POZ      CBI    CAR       single      1.390    0.020
 POZ      HAR    CAR       single      1.083    0.020
 POZ      NBD    CAS       double      1.350    0.020
 POZ      CAS    NBV       single      1.337    0.020
 POZ      HAS    CAS       single      1.083    0.020
 POZ      CAT    NBW       single      1.337    0.020
 POZ      CAT    NBF       double      1.350    0.020
 POZ      HAT    CAT       single      1.083    0.020
 POZ      CAU    CBS       single      1.524    0.020
 POZ      HAU    CAU       single      1.092    0.020
 POZ      HAUA   CAU       single      1.092    0.020
 POZ      CAV    CBA       single      1.524    0.020
 POZ      CAV    CBR       single      1.524    0.020
 POZ      HAV    CAV       single      1.092    0.020
 POZ      HAVA   CAV       single      1.092    0.020
 POZ      CAW    NBT       single      1.469    0.020
 POZ      CAW    CAY       single      1.524    0.020
 POZ      HAW    CAW       single      1.092    0.020
 POZ      HAWA   CAW       single      1.092    0.020
 POZ      CAX    NBT       single      1.469    0.020
 POZ      CAZ    CAX       single      1.524    0.020
 POZ      HAX    CAX       single      1.092    0.020
 POZ      HAXA   CAX       single      1.092    0.020
 POZ      CAY    NBU       single      1.469    0.020
 POZ      HAY    CAY       single      1.092    0.020
 POZ      HAYA   CAY       single      1.092    0.020
 POZ      NBU    CAZ       single      1.469    0.020
 POZ      HAZ    CAZ       single      1.092    0.020
 POZ      HAZA   CAZ       single      1.092    0.020
 POZ      CBA    CBY       single      1.524    0.020
 POZ      HBA    CBA       single      1.092    0.020
 POZ      HBAA   CBA       single      1.092    0.020
 POZ      CBB    CBR       single      1.524    0.020
 POZ      OBG    CBB       single      1.426    0.020
 POZ      HBB    CBB       single      1.092    0.020
 POZ      HBBA   CBB       single      1.092    0.020
 POZ      CBC    CBY       single      1.524    0.020
 POZ      NBV    CBC       single      1.462    0.020
 POZ      HBC    CBC       single      1.092    0.020
 POZ      HBCA   CBC       single      1.092    0.020
 POZ      NBE    NBV       single      1.402    0.020
 POZ      NBF    NBX       single      1.402    0.020
 POZ      CBK    OBG       single      1.370    0.020
 POZ      OBH    CBY       single      1.426    0.020
 POZ      CBR    OBH       single      1.426    0.020
 POZ      CBJ    CBO       single      1.390    0.020
 POZ      HBJ    CBJ       single      1.083    0.020
 POZ      NBT    CBL       single      1.405    0.020
 POZ      CBM    NBU       single      1.405    0.020
 POZ      NBW    CBN       single      1.337    0.020
 POZ      CBY    CBO       single      1.500    0.020
 POZ      CBP    NBW       single      1.337    0.020
 POZ      NBX    CBP       single      1.337    0.020
 POZ      CBQ    CBS       single      1.524    0.020
 POZ      HBQ    CBQ       single      1.099    0.020
 POZ      HBR    CBR       single      1.099    0.020
 POZ      CBS    NBX       single      1.485    0.020
 POZ      HBS    CBS       single      1.099    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
 POZ      FAF    CAP    CBO     120.000    3.000
 POZ      FAF    CAP    CAG     120.000    3.000
 POZ      CBO    CAP    CAG     120.000    3.000
 POZ      CAP    CBO    CBJ     120.000    3.000
 POZ      CAP    CBO    CBY     120.000    3.000
 POZ      CBJ    CBO    CBY     120.000    3.000
 POZ      CBO    CBJ    HBJ     120.000    3.000
 POZ      CBO    CBJ    CAR     120.000    3.000
 POZ      HBJ    CBJ    CAR     120.000    3.000
 POZ      CBJ    CAR    HAR     120.000    3.000
 POZ      CBJ    CAR    CBI     120.000    3.000
 POZ      HAR    CAR    CBI     120.000    3.000
 POZ      CAR    CBI    CAG     120.000    3.000
 POZ      CAR    CBI    FAE     120.000    3.000
 POZ      CAG    CBI    FAE     120.000    3.000
 POZ      CBI    CAG    HAG     120.000    3.000
 POZ      CBI    CAG    CAP     120.000    3.000
 POZ      HAG    CAG    CAP     120.000    3.000
 POZ      CBO    CBY    CBA     109.500    3.000
 POZ      CBO    CBY    CBC     109.500    3.000
 POZ      CBO    CBY    OBH     109.500    3.000
 POZ      CBA    CBY    CBC     111.000    3.000
 POZ      CBA    CBY    OBH     109.470    3.000
 POZ      CBC    CBY    OBH     109.470    3.000
 POZ      CBY    CBA    HBAA    109.470    3.000
 POZ      CBY    CBA    HBA     109.470    3.000
 POZ      CBY    CBA    CAV     111.000    3.000
 POZ      HBAA   CBA    HBA     107.900    3.000
 POZ      HBAA   CBA    CAV     109.470    3.000
 POZ      HBA    CBA    CAV     109.470    3.000
 POZ      CBY    CBC    HBC     109.470    3.000
 POZ      CBY    CBC    HBCA    109.470    3.000
 POZ      CBY    CBC    NBV     109.500    3.000
 POZ      HBC    CBC    HBCA    107.900    3.000
 POZ      HBC    CBC    NBV     109.500    3.000
 POZ      HBCA   CBC    NBV     109.500    3.000
 POZ      CBC    NBV    CAS     126.000    3.000
 POZ      CBC    NBV    NBE     108.000    3.000
 POZ      CAS    NBV    NBE     108.000    3.000
 POZ      NBV    CAS    HAS     126.000    3.000
 POZ      NBV    CAS    NBD     108.000    3.000
 POZ      HAS    CAS    NBD     126.000    3.000
 POZ      CAS    NBD    CAQ     108.000    3.000
 POZ      NBV    NBE    CAQ     108.000    3.000
 POZ      NBE    CAQ    HAQ     126.000    3.000
 POZ      NBE    CAQ    NBD     108.000    3.000
 POZ      HAQ    CAQ    NBD     126.000    3.000
 POZ      CBY    OBH    CBR     111.800    3.000
 POZ      OBH    CBR    HBR     109.470    3.000
 POZ      OBH    CBR    CAV     109.470    3.000
 POZ      OBH    CBR    CBB     109.470    3.000
 POZ      HBR    CBR    CAV     108.340    3.000
 POZ      HBR    CBR    CBB     108.340    3.000
 POZ      CAV    CBR    CBB     109.470    3.000
 POZ      CBR    CAV    HAVA    109.470    3.000
 POZ      CBR    CAV    HAV     109.470    3.000
 POZ      CBR    CAV    CBA     111.000    3.000
 POZ      HAVA   CAV    HAV     107.900    3.000
 POZ      HAVA   CAV    CBA     109.470    3.000
 POZ      HAV    CAV    CBA     109.470    3.000
 POZ      CBR    CBB    HBB     109.470    3.000
 POZ      CBR    CBB    HBBA    109.470    3.000
 POZ      CBR    CBB    OBG     109.470    3.000
 POZ      HBB    CBB    HBBA    107.900    3.000
 POZ      HBB    CBB    OBG     109.470    3.000
 POZ      HBBA   CBB    OBG     109.470    3.000
 POZ      CBB    OBG    CBK     120.000    3.000
 POZ      OBG    CBK    CAH     120.000    3.000
 POZ      OBG    CBK    CAI     120.000    3.000
 POZ      CAH    CBK    CAI     120.000    3.000
 POZ      CBK    CAH    HAH     120.000    3.000
 POZ      CBK    CAH    CAJ     120.000    3.000
 POZ      HAH    CAH    CAJ     120.000    3.000
 POZ      CBK    CAI    HAI     120.000    3.000
 POZ      CBK    CAI    CAK     120.000    3.000
 POZ      HAI    CAI    CAK     120.000    3.000
 POZ      CAI    CAK    HAK     120.000    3.000
 POZ      CAI    CAK    CBL     120.000    3.000
 POZ      HAK    CAK    CBL     120.000    3.000
 POZ      CAK    CBL    CAJ     120.000    3.000
 POZ      CAK    CBL    NBT     120.000    3.000
 POZ      CAJ    CBL    NBT     120.000    3.000
 POZ      CBL    CAJ    HAJ     120.000    3.000
 POZ      CBL    CAJ    CAH     120.000    3.000
 POZ      HAJ    CAJ    CAH     120.000    3.000
 POZ      CBL    NBT    CAW     109.500    3.000
 POZ      CBL    NBT    CAX     109.500    3.000
 POZ      CAW    NBT    CAX     109.470    3.000
 POZ      NBT    CAW    HAWA    109.470    3.000
 POZ      NBT    CAW    HAW     109.470    3.000
 POZ      NBT    CAW    CAY     109.470    3.000
 POZ      HAWA   CAW    HAW     107.900    3.000
 POZ      HAWA   CAW    CAY     109.470    3.000
 POZ      HAW    CAW    CAY     109.470    3.000
 POZ      NBT    CAX    HAX     109.470    3.000
 POZ      NBT    CAX    HAXA    109.470    3.000
 POZ      NBT    CAX    CAZ     109.470    3.000
 POZ      HAX    CAX    HAXA    107.900    3.000
 POZ      HAX    CAX    CAZ     109.470    3.000
 POZ      HAXA   CAX    CAZ     109.470    3.000
 POZ      CAX    CAZ    HAZ     109.470    3.000
 POZ      CAX    CAZ    HAZA    109.470    3.000
 POZ      CAX    CAZ    NBU     109.470    3.000
 POZ      HAZ    CAZ    HAZA    107.900    3.000
 POZ      HAZ    CAZ    NBU     109.470    3.000
 POZ      HAZA   CAZ    NBU     109.470    3.000
 POZ      CAZ    NBU    CAY     109.470    3.000
 POZ      CAZ    NBU    CBM     109.500    3.000
 POZ      CAY    NBU    CBM     109.500    3.000
 POZ      NBU    CAY    HAYA    109.470    3.000
 POZ      NBU    CAY    HAY     109.470    3.000
 POZ      NBU    CAY    CAW     109.470    3.000
 POZ      HAYA   CAY    HAY     107.900    3.000
 POZ      HAYA   CAY    CAW     109.470    3.000
 POZ      HAY    CAY    CAW     109.470    3.000
 POZ      NBU    CBM    CAL     120.000    3.000
 POZ      NBU    CBM    CAM     120.000    3.000
 POZ      CAL    CBM    CAM     120.000    3.000
 POZ      CBM    CAL    HAL     120.000    3.000
 POZ      CBM    CAL    CAN     120.000    3.000
 POZ      HAL    CAL    CAN     120.000    3.000
 POZ      CBM    CAM    HAM     120.000    3.000
 POZ      CBM    CAM    CAO     120.000    3.000
 POZ      HAM    CAM    CAO     120.000    3.000
 POZ      CAM    CAO    HAO     120.000    3.000
 POZ      CAM    CAO    CBN     120.000    3.000
 POZ      HAO    CAO    CBN     120.000    3.000
 POZ      CAO    CBN    CAN     120.000    3.000
 POZ      CAO    CBN    NBW     132.000    3.000
 POZ      CAN    CBN    NBW     132.000    3.000
 POZ      CBN    CAN    HAN     120.000    3.000
 POZ      CBN    CAN    CAL     120.000    3.000
 POZ      HAN    CAN    CAL     120.000    3.000
 POZ      CBN    NBW    CAT     108.000    3.000
 POZ      CBN    NBW    CBP     108.000    3.000
 POZ      CAT    NBW    CBP     108.000    3.000
 POZ      NBW    CAT    HAT     126.000    3.000
 POZ      NBW    CAT    NBF     108.000    3.000
 POZ      HAT    CAT    NBF     126.000    3.000
 POZ      NBW    CBP    OAC     108.000    3.000
 POZ      NBW    CBP    NBX     108.000    3.000
 POZ      OAC    CBP    NBX     108.000    3.000
 POZ      CBP    NBX    NBF     108.000    3.000
 POZ      CBP    NBX    CBS     126.000    3.000
 POZ      NBF    NBX    CBS     108.000    3.000
 POZ      NBX    NBF    CAT     108.000    3.000
 POZ      NBX    CBS    HBS     109.470    3.000
 POZ      NBX    CBS    CBQ     109.470    3.000
 POZ      NBX    CBS    CAU     109.470    3.000
 POZ      HBS    CBS    CBQ     108.340    3.000
 POZ      HBS    CBS    CAU     108.340    3.000
 POZ      CBQ    CBS    CAU     111.000    3.000
 POZ      CBS    CBQ    HBQ     108.340    3.000
 POZ      CBS    CBQ    OAD     109.470    3.000
 POZ      CBS    CBQ    CAB     111.000    3.000
 POZ      HBQ    CBQ    OAD     109.470    3.000
 POZ      HBQ    CBQ    CAB     108.340    3.000
 POZ      OAD    CBQ    CAB     109.470    3.000
 POZ      CBQ    OAD    HOAD    109.470    3.000
 POZ      CBQ    CAB    HABB    109.470    3.000
 POZ      CBQ    CAB    HABA    109.470    3.000
 POZ      CBQ    CAB    HAB     109.470    3.000
 POZ      HABB   CAB    HABA    109.470    3.000
 POZ      HABB   CAB    HAB     109.470    3.000
 POZ      HABA   CAB    HAB     109.470    3.000
 POZ      CBS    CAU    HAU     109.470    3.000
 POZ      CBS    CAU    HAUA    109.470    3.000
 POZ      CBS    CAU    CAA     111.000    3.000
 POZ      HAU    CAU    HAUA    107.900    3.000
 POZ      HAU    CAU    CAA     109.470    3.000
 POZ      HAUA   CAU    CAA     109.470    3.000
 POZ      CAU    CAA    HAAB    109.470    3.000
 POZ      CAU    CAA    HAAA    109.470    3.000
 POZ      CAU    CAA    HAA     109.470    3.000
 POZ      HAAB   CAA    HAAA    109.470    3.000
 POZ      HAAB   CAA    HAA     109.470    3.000
 POZ      HAAA   CAA    HAA     109.470    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
 POZ      CONST_1  FAF    CAP    CBO    CBY        0.000    0.000   0
 POZ      CONST_2  CAP    CBO    CBJ    CAR        0.000    0.000   0
 POZ      CONST_3  CBO    CBJ    CAR    CBI        0.000    0.000   0
 POZ      CONST_4  CBJ    CAR    CBI    FAE      180.000    0.000   0
 POZ      CONST_5  CAR    CBI    CAG    CAP        0.000    0.000   0
 POZ      CONST_6  CBI    CAG    CAP    FAF      180.000    0.000   0
 POZ      var_1    CAP    CBO    CBY    OBH     -177.567   20.000   1
 POZ      var_2    CBO    CBY    CBA    CAV     -150.000   20.000   1
 POZ      var_3    CBO    CBY    CBC    NBV       59.078   20.000   1
 POZ      var_4    CBY    CBC    NBV    NBE      -54.417   20.000   1
 POZ      CONST_7  CBC    NBV    CAS    NBD      180.000    0.000   0
 POZ      CONST_8  NBV    CAS    NBD    CAQ        0.000    0.000   0
 POZ      CONST_9  CBC    NBV    NBE    CAQ      180.000    0.000   0
 POZ      CONST_10 NBV    NBE    CAQ    NBD        0.000    0.000   0
 POZ      CONST_11 NBE    CAQ    NBD    CAS        0.000    0.000   0
 POZ      var_5    CBO    CBY    OBH    CBR      120.000   20.000   1
 POZ      var_6    CBY    OBH    CBR    CBB      150.000   20.000   1
 POZ      var_7    OBH    CBR    CAV    CBA      -30.000   20.000   3
 POZ      var_8    CBR    CAV    CBA    CBY       30.000   20.000   3
 POZ      var_9    OBH    CBR    CBB    OBG       69.299   20.000   3
 POZ      var_10   CBR    CBB    OBG    CBK      179.970   20.000   1
 POZ      var_11   CBB    OBG    CBK    CAI        0.058   20.000   1
 POZ      CONST_12 OBG    CBK    CAH    CAJ      180.000    0.000   0
 POZ      CONST_13 CBK    CAH    CAJ    CBL        0.000    0.000   0
 POZ      CONST_14 OBG    CBK    CAI    CAK      180.000    0.000   0
 POZ      CONST_15 CBK    CAI    CAK    CBL        0.000    0.000   0
 POZ      CONST_16 CAI    CAK    CBL    NBT      180.000    0.000   0
 POZ      CONST_17 CAK    CBL    CAJ    CAH        0.000    0.000   0
 POZ      var_12   CAK    CBL    NBT    CAX     -123.818   20.000   1
 POZ      var_13   CBL    NBT    CAW    CAY      180.000   20.000   1
 POZ      var_14   NBT    CAW    CAY    NBU       60.000   20.000   3
 POZ      var_15   CBL    NBT    CAX    CAZ      180.000   20.000   1
 POZ      var_16   NBT    CAX    CAZ    NBU      -60.000   20.000   3
 POZ      var_17   CAX    CAZ    NBU    CBM      180.000   20.000   1
 POZ      var_18   CAZ    NBU    CAY    CAW      -60.000   20.000   1
 POZ      var_19   CAZ    NBU    CBM    CAM     -123.807   20.000   1
 POZ      CONST_18 NBU    CBM    CAL    CAN      180.000    0.000   0
 POZ      CONST_19 CBM    CAL    CAN    CBN        0.000    0.000   0
 POZ      CONST_20 NBU    CBM    CAM    CAO      180.000    0.000   0
 POZ      CONST_21 CBM    CAM    CAO    CBN        0.000    0.000   0
 POZ      CONST_22 CAM    CAO    CBN    NBW      180.000    0.000   0
 POZ      CONST_23 CAO    CBN    CAN    CAL        0.000    0.000   0
 POZ      var_20   CAO    CBN    NBW    CBP        0.036   20.000   1
 POZ      CONST_24 CBN    NBW    CAT    NBF      180.000    0.000   0
 POZ      CONST_25 NBW    CAT    NBF    NBX        0.000    0.000   0
 POZ      CONST_26 CBN    NBW    CBP    NBX      180.000    0.000   0
 POZ      CONST_27 NBW    CBP    NBX    CBS      180.000    0.000   0
 POZ      CONST_28 CBP    NBX    NBF    CAT        0.000    0.000   0
 POZ      var_21   CBP    NBX    CBS    CAU      120.470   20.000   1
 POZ      var_22   NBX    CBS    CBQ    CAB       59.983   20.000   3
 POZ      var_23   CBS    CBQ    OAD    HOAD      59.957   20.000   1
 POZ      var_24   CBS    CBQ    CAB    HAB      -59.970   20.000   3
 POZ      var_25   NBX    CBS    CAU    CAA      -64.985   20.000   3
 POZ      var_26   CBS    CAU    CAA    HAA      179.977   20.000   3
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
 POZ      chir_01  CBQ    CAB    OAD    CBS       positiv
 POZ      chir_02  CBR    CAV    CBB    OBH       negativ
 POZ      chir_03  CBS    CAU    CBQ    NBX       negativ
 POZ      chir_04  NBT    CAW    CAX    CBL       positiv
 POZ      chir_05  NBU    CAY    CAZ    CBM       positiv
 POZ      chir_06  CBY    CBA    CBC    OBH       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
 POZ      plan-1    CAG       0.020
 POZ      plan-1    CAP       0.020
 POZ      plan-1    CBI       0.020
 POZ      plan-1    HAG       0.020
 POZ      plan-1    CAR       0.020
 POZ      plan-1    CBJ       0.020
 POZ      plan-1    CBO       0.020
 POZ      plan-1    FAF       0.020
 POZ      plan-1    HAR       0.020
 POZ      plan-1    FAE       0.020
 POZ      plan-1    HBJ       0.020
 POZ      plan-1    CBY       0.020
 POZ      plan-2    CAH       0.020
 POZ      plan-2    CAJ       0.020
 POZ      plan-2    CBK       0.020
 POZ      plan-2    HAH       0.020
 POZ      plan-2    CAI       0.020
 POZ      plan-2    CAK       0.020
 POZ      plan-2    CBL       0.020
 POZ      plan-2    HAI       0.020
 POZ      plan-2    HAJ       0.020
 POZ      plan-2    HAK       0.020
 POZ      plan-2    OBG       0.020
 POZ      plan-2    NBT       0.020
 POZ      plan-3    CAL       0.020
 POZ      plan-3    CAN       0.020
 POZ      plan-3    CBM       0.020
 POZ      plan-3    HAL       0.020
 POZ      plan-3    CAM       0.020
 POZ      plan-3    CAO       0.020
 POZ      plan-3    CBN       0.020
 POZ      plan-3    HAM       0.020
 POZ      plan-3    HAN       0.020
 POZ      plan-3    HAO       0.020
 POZ      plan-3    NBU       0.020
 POZ      plan-3    NBW       0.020
 POZ      plan-4    CAQ       0.020
 POZ      plan-4    NBD       0.020
 POZ      plan-4    NBE       0.020
 POZ      plan-4    HAQ       0.020
 POZ      plan-4    CAS       0.020
 POZ      plan-4    NBV       0.020
 POZ      plan-4    HAS       0.020
 POZ      plan-4    CBC       0.020
 POZ      plan-5    CAT       0.020
 POZ      plan-5    NBF       0.020
 POZ      plan-5    NBW       0.020
 POZ      plan-5    HAT       0.020
 POZ      plan-5    CBP       0.020
 POZ      plan-5    NBX       0.020
 POZ      plan-5    OAC       0.020
 POZ      plan-5    CBN       0.020
 POZ      plan-5    CBS       0.020
# ------------------------------------------------------
