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
DRD      DRD '"2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAP' non-polymer        75  41 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DRD
#
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
 DRD           OAI    O    OC       -0.500      0.000    0.000    0.000
 DRD           CAH    C    C         0.000     -0.126    0.237   -1.222
 DRD           OAJ    O    OC       -0.500     -1.236    0.199   -1.798
 DRD           CAG    C    CT        0.000      1.026    0.593   -2.154
 DRD           CAL    C    CH3       0.000      1.157   -0.424   -3.283
 DRD           HAL3   H    H         0.000      2.030   -0.217   -3.846
 DRD           HAL2   H    H         0.000      1.223   -1.399   -2.875
 DRD           HAL1   H    H         0.000      0.308   -0.363   -3.914
 DRD           CAK    C    CH3       0.000      0.897    2.023   -2.671
 DRD           HAK3   H    H         0.000      1.761    2.276   -3.228
 DRD           HAK2   H    H         0.000      0.042    2.098   -3.292
 DRD           HAK1   H    H         0.000      0.798    2.687   -1.852
 DRD           OAF    O    O2        0.000      2.201    0.518   -1.354
 DRD           CAS    C    CR6       0.000      2.061    0.802   -0.022
 DRD           CAN    C    CR56      0.000      1.759   -0.204    0.916
 DRD           CAM    C    CR15      0.000      1.536   -1.607    0.828
 DRD           HAM    H    H         0.000      1.563   -2.202   -0.076
 DRD           CAU    C    CR15      0.000      1.278   -2.071    2.097
 DRD           HAU    H    H         0.000      1.068   -3.097    2.373
 DRD           CAP    C    CR16      0.000      2.220    2.120    0.419
 DRD           HAP    H    H         0.000      2.452    2.900   -0.297
 DRD           CAQ    C    CR16      0.000      2.084    2.443    1.768
 DRD           HAQ    H    H         0.000      2.212    3.470    2.086
 DRD           CAR    C    CR16      0.000      1.783    1.462    2.717
 DRD           HAR    H    H         0.000      1.676    1.709    3.766
 DRD           CAO    C    CR56      0.000      1.628    0.147    2.261
 DRD           NAT    N    NR5       0.000      1.337   -1.004    2.944
 DRD           CAA    C    CH2       0.000      1.118   -1.094    4.382
 DRD           HAA1   H    H         0.000      1.735   -0.326    4.852
 DRD           HAA2   H    H         0.000      1.462   -2.080    4.701
 DRD           CAB    C    CH2       0.000     -0.341   -0.903    4.797
 DRD           HAB1   H    H         0.000     -0.629    0.114    4.522
 DRD           HAB2   H    H         0.000     -0.391   -1.012    5.882
 DRD           CAC    C    CH2       0.000     -1.291   -1.897    4.140
 DRD           HAC1   H    H         0.000     -1.000   -2.916    4.402
 DRD           HAC2   H    H         0.000     -1.260   -1.778    3.055
 DRD           OAD    O    O2        0.000     -2.613   -1.643    4.610
 DRD           CAE    C    CR6       0.000     -3.637   -1.913    3.751
 DRD           CBK    C    CR6       0.000     -4.516   -0.908    3.345
 DRD           CBL    C    CH2       0.000     -4.301    0.476    3.880
 DRD           HBL1   H    H         0.000     -3.864    0.393    4.878
 DRD           HBL2   H    H         0.000     -5.272    0.971    3.950
 DRD           CBM    C    CH2       0.000     -3.370    1.297    2.980
 DRD           HBM1   H    H         0.000     -3.808    1.337    1.980
 DRD           HBM2   H    H         0.000     -2.404    0.791    2.933
 DRD           CBN    C    CH3       0.000     -3.179    2.710    3.507
 DRD           HBN3   H    H         0.000     -2.756    2.672    4.478
 DRD           HBN2   H    H         0.000     -2.531    3.245    2.862
 DRD           HBN1   H    H         0.000     -4.116    3.202    3.551
 DRD           CBJ    C    CR16      0.000     -3.798   -3.212    3.280
 DRD           HBJ    H    H         0.000     -3.116   -3.991    3.596
 DRD           CBI    C    CR16      0.000     -4.840   -3.512    2.400
 DRD           HBI    H    H         0.000     -4.960   -4.525    2.037
 DRD           CBE    C    CR66      0.000     -5.733   -2.513    1.980
 DRD           CBH    C    CR16      0.000     -6.787   -2.797    1.096
 DRD           HBH    H    H         0.000     -6.918   -3.806    0.726
 DRD           CBF    C    CR66      0.000     -5.569   -1.191    2.460
 DRD           CBG    C    CR16      0.000     -6.463   -0.193    2.040
 DRD           HBG    H    H         0.000     -6.342    0.821    2.402
 DRD           CBD    C    CR16      0.000     -7.504   -0.492    1.161
 DRD           HBD    H    H         0.000     -8.187    0.287    0.846
 DRD           CBC    C    CR6       0.000     -7.665   -1.792    0.689
 DRD           CBB    C    C         0.000     -8.751   -2.102   -0.227
 DRD           OBO    O    O         0.000     -9.856   -2.458    0.212
 DRD           CBA    C    CR6       0.000     -8.598   -2.011   -1.710
 DRD           CAV    C    CR16      0.000     -9.678   -2.324   -2.503
 DRD           HAV    H    H         0.000    -10.619   -2.629   -2.062
 DRD           CAZ    C    CR16      0.000     -7.384   -1.620   -2.223
 DRD           HAZ    H    H         0.000     -6.556   -1.382   -1.566
 DRD           CAW    C    CR16      0.000     -7.240   -1.535   -3.608
 DRD           HAW    H    H         0.000     -6.294   -1.229   -4.037
 DRD           CAX    C    CR16      0.000     -8.316   -1.844   -4.441
 DRD           HAX    H    H         0.000     -8.205   -1.779   -5.516
 DRD           CAY    C    CR16      0.000     -9.535   -2.238   -3.888
 DRD           HAY    H    H         0.000    -10.370   -2.476   -4.534
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
 DRD      OAI    n/a    CAH    START
 DRD      CAH    OAI    CAG    .
 DRD      OAJ    CAH    .      .
 DRD      CAG    CAH    OAF    .
 DRD      CAL    CAG    HAL1   .
 DRD      HAL3   CAL    .      .
 DRD      HAL2   CAL    .      .
 DRD      HAL1   CAL    .      .
 DRD      CAK    CAG    HAK1   .
 DRD      HAK3   CAK    .      .
 DRD      HAK2   CAK    .      .
 DRD      HAK1   CAK    .      .
 DRD      OAF    CAG    CAS    .
 DRD      CAS    OAF    CAP    .
 DRD      CAN    CAS    CAM    .
 DRD      CAM    CAN    CAU    .
 DRD      HAM    CAM    .      .
 DRD      CAU    CAM    HAU    .
 DRD      HAU    CAU    .      .
 DRD      CAP    CAS    CAQ    .
 DRD      HAP    CAP    .      .
 DRD      CAQ    CAP    CAR    .
 DRD      HAQ    CAQ    .      .
 DRD      CAR    CAQ    CAO    .
 DRD      HAR    CAR    .      .
 DRD      CAO    CAR    NAT    .
 DRD      NAT    CAO    CAA    .
 DRD      CAA    NAT    CAB    .
 DRD      HAA1   CAA    .      .
 DRD      HAA2   CAA    .      .
 DRD      CAB    CAA    CAC    .
 DRD      HAB1   CAB    .      .
 DRD      HAB2   CAB    .      .
 DRD      CAC    CAB    OAD    .
 DRD      HAC1   CAC    .      .
 DRD      HAC2   CAC    .      .
 DRD      OAD    CAC    CAE    .
 DRD      CAE    OAD    CBJ    .
 DRD      CBK    CAE    CBL    .
 DRD      CBL    CBK    CBM    .
 DRD      HBL1   CBL    .      .
 DRD      HBL2   CBL    .      .
 DRD      CBM    CBL    CBN    .
 DRD      HBM1   CBM    .      .
 DRD      HBM2   CBM    .      .
 DRD      CBN    CBM    HBN1   .
 DRD      HBN3   CBN    .      .
 DRD      HBN2   CBN    .      .
 DRD      HBN1   CBN    .      .
 DRD      CBJ    CAE    CBI    .
 DRD      HBJ    CBJ    .      .
 DRD      CBI    CBJ    CBE    .
 DRD      HBI    CBI    .      .
 DRD      CBE    CBI    CBF    .
 DRD      CBH    CBE    HBH    .
 DRD      HBH    CBH    .      .
 DRD      CBF    CBE    CBG    .
 DRD      CBG    CBF    CBD    .
 DRD      HBG    CBG    .      .
 DRD      CBD    CBG    CBC    .
 DRD      HBD    CBD    .      .
 DRD      CBC    CBD    CBB    .
 DRD      CBB    CBC    CBA    .
 DRD      OBO    CBB    .      .
 DRD      CBA    CBB    CAZ    .
 DRD      CAV    CBA    HAV    .
 DRD      HAV    CAV    .      .
 DRD      CAZ    CBA    CAW    .
 DRD      HAZ    CAZ    .      .
 DRD      CAW    CAZ    CAX    .
 DRD      HAW    CAW    .      .
 DRD      CAX    CAW    CAY    .
 DRD      HAX    CAX    .      .
 DRD      CAY    CAX    HAY    .
 DRD      HAY    CAY    .      END
 DRD      CAV    CAY    .    ADD
 DRD      CBC    CBH    .    ADD
 DRD      CBF    CBK    .    ADD
 DRD      NAT    CAU    .    ADD
 DRD      CAN    CAO    .    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
 DRD      CAV    CAY       single      1.390    0.020
 DRD      CAV    CBA       double      1.390    0.020
 DRD      HAV    CAV       single      1.083    0.020
 DRD      CAY    CAX       double      1.390    0.020
 DRD      HAY    CAY       single      1.083    0.020
 DRD      CAX    CAW       single      1.390    0.020
 DRD      HAX    CAX       single      1.083    0.020
 DRD      CAW    CAZ       double      1.390    0.020
 DRD      HAW    CAW       single      1.083    0.020
 DRD      CAZ    CBA       single      1.390    0.020
 DRD      HAZ    CAZ       single      1.083    0.020
 DRD      CBA    CBB       single      1.500    0.020
 DRD      CBB    CBC       single      1.500    0.020
 DRD      OBO    CBB       double      1.220    0.020
 DRD      CBC    CBH       double      1.390    0.020
 DRD      CBC    CBD       single      1.390    0.020
 DRD      CBH    CBE       single      1.390    0.020
 DRD      HBH    CBH       single      1.083    0.020
 DRD      HBD    CBD       single      1.083    0.020
 DRD      CBD    CBG       double      1.390    0.020
 DRD      HBG    CBG       single      1.083    0.020
 DRD      CBG    CBF       single      1.390    0.020
 DRD      CBF    CBE       double      1.490    0.020
 DRD      CBF    CBK       single      1.490    0.020
 DRD      CBK    CAE       double      1.487    0.020
 DRD      CBL    CBK       single      1.511    0.020
 DRD      HBL1   CBL       single      1.092    0.020
 DRD      HBL2   CBL       single      1.092    0.020
 DRD      CBM    CBL       single      1.524    0.020
 DRD      HBM1   CBM       single      1.092    0.020
 DRD      HBM2   CBM       single      1.092    0.020
 DRD      CBN    CBM       single      1.513    0.020
 DRD      HBN1   CBN       single      1.059    0.020
 DRD      HBN2   CBN       single      1.059    0.020
 DRD      HBN3   CBN       single      1.059    0.020
 DRD      CBE    CBI       single      1.390    0.020
 DRD      CBI    CBJ       double      1.390    0.020
 DRD      HBI    CBI       single      1.083    0.020
 DRD      CBJ    CAE       single      1.390    0.020
 DRD      HBJ    CBJ       single      1.083    0.020
 DRD      CAE    OAD       single      1.370    0.020
 DRD      OAD    CAC       single      1.426    0.020
 DRD      CAC    CAB       single      1.524    0.020
 DRD      HAC1   CAC       single      1.092    0.020
 DRD      HAC2   CAC       single      1.092    0.020
 DRD      CAB    CAA       single      1.524    0.020
 DRD      HAB1   CAB       single      1.092    0.020
 DRD      HAB2   CAB       single      1.092    0.020
 DRD      CAA    NAT       single      1.462    0.020
 DRD      HAA1   CAA       single      1.092    0.020
 DRD      HAA2   CAA       single      1.092    0.020
 DRD      NAT    CAO       single      1.337    0.020
 DRD      NAT    CAU       single      1.337    0.020
 DRD      HAU    CAU       single      1.083    0.020
 DRD      CAU    CAM       double      1.380    0.020
 DRD      HAM    CAM       single      1.083    0.020
 DRD      CAM    CAN       single      1.440    0.020
 DRD      CAN    CAS       single      1.490    0.020
 DRD      CAN    CAO       double      1.490    0.020
 DRD      CAO    CAR       single      1.390    0.020
 DRD      CAR    CAQ       double      1.390    0.020
 DRD      HAR    CAR       single      1.083    0.020
 DRD      CAQ    CAP       single      1.390    0.020
 DRD      HAQ    CAQ       single      1.083    0.020
 DRD      CAP    CAS       double      1.390    0.020
 DRD      HAP    CAP       single      1.083    0.020
 DRD      CAS    OAF       single      1.370    0.020
 DRD      OAF    CAG       single      1.426    0.020
 DRD      CAG    CAH       single      1.507    0.020
 DRD      CAL    CAG       single      1.524    0.020
 DRD      CAK    CAG       single      1.524    0.020
 DRD      HAL1   CAL       single      1.059    0.020
 DRD      HAL2   CAL       single      1.059    0.020
 DRD      HAL3   CAL       single      1.059    0.020
 DRD      HAK1   CAK       single      1.059    0.020
 DRD      HAK2   CAK       single      1.059    0.020
 DRD      HAK3   CAK       single      1.059    0.020
 DRD      OAJ    CAH       deloc       1.250    0.020
 DRD      CAH    OAI       deloc       1.250    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
 DRD      OAI    CAH    OAJ     123.000    3.000
 DRD      OAI    CAH    CAG     118.500    3.000
 DRD      OAJ    CAH    CAG     118.500    3.000
 DRD      CAH    CAG    CAL     109.470    3.000
 DRD      CAH    CAG    CAK     109.470    3.000
 DRD      CAH    CAG    OAF     109.470    3.000
 DRD      CAL    CAG    CAK     111.000    3.000
 DRD      CAL    CAG    OAF     109.470    3.000
 DRD      CAK    CAG    OAF     109.470    3.000
 DRD      CAG    CAL    HAL3    109.470    3.000
 DRD      CAG    CAL    HAL2    109.470    3.000
 DRD      CAG    CAL    HAL1    109.470    3.000
 DRD      HAL3   CAL    HAL2    109.470    3.000
 DRD      HAL3   CAL    HAL1    109.470    3.000
 DRD      HAL2   CAL    HAL1    109.470    3.000
 DRD      CAG    CAK    HAK3    109.470    3.000
 DRD      CAG    CAK    HAK2    109.470    3.000
 DRD      CAG    CAK    HAK1    109.470    3.000
 DRD      HAK3   CAK    HAK2    109.470    3.000
 DRD      HAK3   CAK    HAK1    109.470    3.000
 DRD      HAK2   CAK    HAK1    109.470    3.000
 DRD      CAG    OAF    CAS     120.000    3.000
 DRD      OAF    CAS    CAN     120.000    3.000
 DRD      OAF    CAS    CAP     120.000    3.000
 DRD      CAN    CAS    CAP     120.000    3.000
 DRD      CAS    CAN    CAM     132.000    3.000
 DRD      CAS    CAN    CAO     120.000    3.000
 DRD      CAM    CAN    CAO     120.000    3.000
 DRD      CAN    CAM    HAM     108.000    3.000
 DRD      CAN    CAM    CAU     108.000    3.000
 DRD      HAM    CAM    CAU     126.000    3.000
 DRD      CAM    CAU    HAU     126.000    3.000
 DRD      CAM    CAU    NAT     108.000    3.000
 DRD      HAU    CAU    NAT     126.000    3.000
 DRD      CAS    CAP    HAP     120.000    3.000
 DRD      CAS    CAP    CAQ     120.000    3.000
 DRD      HAP    CAP    CAQ     120.000    3.000
 DRD      CAP    CAQ    HAQ     120.000    3.000
 DRD      CAP    CAQ    CAR     120.000    3.000
 DRD      HAQ    CAQ    CAR     120.000    3.000
 DRD      CAQ    CAR    HAR     120.000    3.000
 DRD      CAQ    CAR    CAO     120.000    3.000
 DRD      HAR    CAR    CAO     120.000    3.000
 DRD      CAR    CAO    NAT     132.000    3.000
 DRD      CAR    CAO    CAN     120.000    3.000
 DRD      NAT    CAO    CAN     108.000    3.000
 DRD      CAO    NAT    CAA     126.000    3.000
 DRD      CAO    NAT    CAU     108.000    3.000
 DRD      CAA    NAT    CAU     126.000    3.000
 DRD      NAT    CAA    HAA1    109.500    3.000
 DRD      NAT    CAA    HAA2    109.500    3.000
 DRD      NAT    CAA    CAB     109.500    3.000
 DRD      HAA1   CAA    HAA2    107.900    3.000
 DRD      HAA1   CAA    CAB     109.470    3.000
 DRD      HAA2   CAA    CAB     109.470    3.000
 DRD      CAA    CAB    HAB1    109.470    3.000
 DRD      CAA    CAB    HAB2    109.470    3.000
 DRD      CAA    CAB    CAC     111.000    3.000
 DRD      HAB1   CAB    HAB2    107.900    3.000
 DRD      HAB1   CAB    CAC     109.470    3.000
 DRD      HAB2   CAB    CAC     109.470    3.000
 DRD      CAB    CAC    HAC1    109.470    3.000
 DRD      CAB    CAC    HAC2    109.470    3.000
 DRD      CAB    CAC    OAD     109.470    3.000
 DRD      HAC1   CAC    HAC2    107.900    3.000
 DRD      HAC1   CAC    OAD     109.470    3.000
 DRD      HAC2   CAC    OAD     109.470    3.000
 DRD      CAC    OAD    CAE     120.000    3.000
 DRD      OAD    CAE    CBK     120.000    3.000
 DRD      OAD    CAE    CBJ     120.000    3.000
 DRD      CBK    CAE    CBJ     120.000    3.000
 DRD      CAE    CBK    CBL     120.000    3.000
 DRD      CAE    CBK    CBF     120.000    3.000
 DRD      CBL    CBK    CBF     120.000    3.000
 DRD      CBK    CBL    HBL1    109.470    3.000
 DRD      CBK    CBL    HBL2    109.470    3.000
 DRD      CBK    CBL    CBM     109.470    3.000
 DRD      HBL1   CBL    HBL2    107.900    3.000
 DRD      HBL1   CBL    CBM     109.470    3.000
 DRD      HBL2   CBL    CBM     109.470    3.000
 DRD      CBL    CBM    HBM1    109.470    3.000
 DRD      CBL    CBM    HBM2    109.470    3.000
 DRD      CBL    CBM    CBN     111.000    3.000
 DRD      HBM1   CBM    HBM2    107.900    3.000
 DRD      HBM1   CBM    CBN     109.470    3.000
 DRD      HBM2   CBM    CBN     109.470    3.000
 DRD      CBM    CBN    HBN3    109.470    3.000
 DRD      CBM    CBN    HBN2    109.470    3.000
 DRD      CBM    CBN    HBN1    109.470    3.000
 DRD      HBN3   CBN    HBN2    109.470    3.000
 DRD      HBN3   CBN    HBN1    109.470    3.000
 DRD      HBN2   CBN    HBN1    109.470    3.000
 DRD      CAE    CBJ    HBJ     120.000    3.000
 DRD      CAE    CBJ    CBI     120.000    3.000
 DRD      HBJ    CBJ    CBI     120.000    3.000
 DRD      CBJ    CBI    HBI     120.000    3.000
 DRD      CBJ    CBI    CBE     120.000    3.000
 DRD      HBI    CBI    CBE     120.000    3.000
 DRD      CBI    CBE    CBH     120.000    3.000
 DRD      CBI    CBE    CBF     120.000    3.000
 DRD      CBH    CBE    CBF     120.000    3.000
 DRD      CBE    CBH    HBH     120.000    3.000
 DRD      CBE    CBH    CBC     120.000    3.000
 DRD      HBH    CBH    CBC     120.000    3.000
 DRD      CBE    CBF    CBG     120.000    3.000
 DRD      CBE    CBF    CBK     120.000    3.000
 DRD      CBG    CBF    CBK     120.000    3.000
 DRD      CBF    CBG    HBG     120.000    3.000
 DRD      CBF    CBG    CBD     120.000    3.000
 DRD      HBG    CBG    CBD     120.000    3.000
 DRD      CBG    CBD    HBD     120.000    3.000
 DRD      CBG    CBD    CBC     120.000    3.000
 DRD      HBD    CBD    CBC     120.000    3.000
 DRD      CBD    CBC    CBB     120.000    3.000
 DRD      CBD    CBC    CBH     120.000    3.000
 DRD      CBB    CBC    CBH     120.000    3.000
 DRD      CBC    CBB    OBO     120.500    3.000
 DRD      CBC    CBB    CBA     120.000    3.000
 DRD      OBO    CBB    CBA     120.500    3.000
 DRD      CBB    CBA    CAV     120.000    3.000
 DRD      CBB    CBA    CAZ     120.000    3.000
 DRD      CAV    CBA    CAZ     120.000    3.000
 DRD      CBA    CAV    HAV     120.000    3.000
 DRD      CBA    CAV    CAY     120.000    3.000
 DRD      HAV    CAV    CAY     120.000    3.000
 DRD      CBA    CAZ    HAZ     120.000    3.000
 DRD      CBA    CAZ    CAW     120.000    3.000
 DRD      HAZ    CAZ    CAW     120.000    3.000
 DRD      CAZ    CAW    HAW     120.000    3.000
 DRD      CAZ    CAW    CAX     120.000    3.000
 DRD      HAW    CAW    CAX     120.000    3.000
 DRD      CAW    CAX    HAX     120.000    3.000
 DRD      CAW    CAX    CAY     120.000    3.000
 DRD      HAX    CAX    CAY     120.000    3.000
 DRD      CAX    CAY    HAY     120.000    3.000
 DRD      CAX    CAY    CAV     120.000    3.000
 DRD      HAY    CAY    CAV     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
 DRD      var_1    OAI    CAH    CAG    OAF        2.996   20.000   1
 DRD      var_2    CAH    CAG    CAL    HAL1      66.623   20.000   1
 DRD      var_3    CAH    CAG    CAK    HAK1      53.910   20.000   1
 DRD      var_4    CAH    CAG    OAF    CAS      -30.001   20.000   1
 DRD      var_5    CAG    OAF    CAS    CAP      -89.960   20.000   1
 DRD      CONST_1  OAF    CAS    CAN    CAM        0.000    0.000   0
 DRD      CONST_2  CAS    CAN    CAO    CAR        0.000    0.000   0
 DRD      CONST_3  CAS    CAN    CAM    CAU      180.000    0.000   0
 DRD      CONST_4  CAN    CAM    CAU    NAT        0.000    0.000   0
 DRD      CONST_5  OAF    CAS    CAP    CAQ      180.000    0.000   0
 DRD      CONST_6  CAS    CAP    CAQ    CAR        0.000    0.000   0
 DRD      CONST_7  CAP    CAQ    CAR    CAO        0.000    0.000   0
 DRD      CONST_8  CAQ    CAR    CAO    NAT      180.000    0.000   0
 DRD      CONST_9  CAR    CAO    NAT    CAA        0.000    0.000   0
 DRD      CONST_10 CAO    NAT    CAU    CAM        0.000    0.000   0
 DRD      var_6    CAO    NAT    CAA    CAB       89.976   20.000   1
 DRD      var_7    NAT    CAA    CAB    CAC       57.516   20.000   3
 DRD      var_8    CAA    CAB    CAC    OAD      179.095   20.000   3
 DRD      var_9    CAB    CAC    OAD    CAE      148.961   20.000   1
 DRD      var_10   CAC    OAD    CAE    CBJ       59.980   20.000   1
 DRD      CONST_11 OAD    CAE    CBK    CBL        0.000    0.000   0
 DRD      var_11   CAE    CBK    CBL    CBM       89.978   20.000   2
 DRD      var_12   CBK    CBL    CBM    CBN      178.699   20.000   3
 DRD      var_13   CBL    CBM    CBN    HBN1     -60.107   20.000   3
 DRD      CONST_12 OAD    CAE    CBJ    CBI      180.000    0.000   0
 DRD      CONST_13 CAE    CBJ    CBI    CBE        0.000    0.000   0
 DRD      CONST_14 CBJ    CBI    CBE    CBF        0.000    0.000   0
 DRD      CONST_15 CBI    CBE    CBH    CBC      180.000    0.000   0
 DRD      CONST_16 CBI    CBE    CBF    CBG      180.000    0.000   0
 DRD      CONST_17 CBE    CBF    CBK    CAE        0.000    0.000   0
 DRD      CONST_18 CBE    CBF    CBG    CBD        0.000    0.000   0
 DRD      CONST_19 CBF    CBG    CBD    CBC        0.000    0.000   0
 DRD      CONST_20 CBG    CBD    CBC    CBB      180.000    0.000   0
 DRD      CONST_21 CBD    CBC    CBH    CBE        0.000    0.000   0
 DRD      var_14   CBD    CBC    CBB    CBA       89.998   20.000   1
 DRD      var_15   CBC    CBB    CBA    CAZ        0.024   20.000   1
 DRD      CONST_22 CBB    CBA    CAV    CAY      180.000    0.000   0
 DRD      CONST_23 CBA    CAV    CAY    CAX        0.000    0.000   0
 DRD      CONST_24 CBB    CBA    CAZ    CAW      180.000    0.000   0
 DRD      CONST_25 CBA    CAZ    CAW    CAX        0.000    0.000   0
 DRD      CONST_26 CAZ    CAW    CAX    CAY        0.000    0.000   0
 DRD      CONST_27 CAW    CAX    CAY    CAV        0.000    0.000   0
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
 DRD      chir_01  CAG    OAF    CAL    CAK       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
 DRD      plan-1    CAV       0.020
 DRD      plan-1    CAY       0.020
 DRD      plan-1    CBA       0.020
 DRD      plan-1    HAV       0.020
 DRD      plan-1    CAX       0.020
 DRD      plan-1    CAW       0.020
 DRD      plan-1    CAZ       0.020
 DRD      plan-1    HAY       0.020
 DRD      plan-1    HAX       0.020
 DRD      plan-1    HAW       0.020
 DRD      plan-1    HAZ       0.020
 DRD      plan-1    CBB       0.020
 DRD      plan-2    CBB       0.020
 DRD      plan-2    CBA       0.020
 DRD      plan-2    OBO       0.020
 DRD      plan-2    CBC       0.020
 DRD      plan-3    CBC       0.020
 DRD      plan-3    CBB       0.020
 DRD      plan-3    CBH       0.020
 DRD      plan-3    CBD       0.020
 DRD      plan-3    CBG       0.020
 DRD      plan-3    CBE       0.020
 DRD      plan-3    HBH       0.020
 DRD      plan-3    HBD       0.020
 DRD      plan-3    CBF       0.020
 DRD      plan-3    HBG       0.020
 DRD      plan-3    CBK       0.020
 DRD      plan-3    CBI       0.020
 DRD      plan-3    CBJ       0.020
 DRD      plan-3    CAE       0.020
 DRD      plan-3    CBL       0.020
 DRD      plan-3    HBI       0.020
 DRD      plan-3    HBJ       0.020
 DRD      plan-3    OAD       0.020
 DRD      plan-4    NAT       0.020
 DRD      plan-4    CAA       0.020
 DRD      plan-4    CAU       0.020
 DRD      plan-4    CAO       0.020
 DRD      plan-4    CAM       0.020
 DRD      plan-4    HAU       0.020
 DRD      plan-4    CAN       0.020
 DRD      plan-4    HAM       0.020
 DRD      plan-4    CAS       0.020
 DRD      plan-4    CAR       0.020
 DRD      plan-4    CAQ       0.020
 DRD      plan-4    CAP       0.020
 DRD      plan-4    HAR       0.020
 DRD      plan-4    HAQ       0.020
 DRD      plan-4    HAP       0.020
 DRD      plan-4    OAF       0.020
 DRD      plan-5    CAH       0.020
 DRD      plan-5    CAG       0.020
 DRD      plan-5    OAJ       0.020
 DRD      plan-5    OAI       0.020
# ------------------------------------------------------
