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
DRJ      DRJ '"(2R)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(H' non-polymer        68  33 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DRJ
#
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
 DRJ           OAD    O    OC       -0.500      0.000    0.000    0.000
 DRJ           CAZ    C    C         0.000     -0.656    0.882    0.598
 DRJ           OAE    O    OC       -0.500     -0.155    1.979    0.928
 DRJ           CBG    C    CT        0.000     -2.125    0.742    0.992
 DRJ           CAC    C    CH3       0.000     -2.680   -0.615    0.561
 DRJ           HAC3   H    H         0.000     -2.287   -1.374    1.189
 DRJ           HAC2   H    H         0.000     -3.736   -0.606    0.639
 DRJ           HAC1   H    H         0.000     -2.402   -0.810   -0.442
 DRJ           CAO    C    CH2       0.000     -2.298    1.028    2.494
 DRJ           HAO1   H    H         0.000     -1.936    2.043    2.670
 DRJ           HAO2   H    H         0.000     -1.663    0.318    3.029
 DRJ           CAB    C    CH3       0.000     -3.733    0.905    2.993
 DRJ           HAB3   H    H         0.000     -4.358    1.562    2.444
 DRJ           HAB2   H    H         0.000     -4.071   -0.091    2.863
 DRJ           HAB1   H    H         0.000     -3.774    1.159    4.021
 DRJ           OAX    O    O2        0.000     -2.821    1.756    0.270
 DRJ           CBB    C    CR6       0.000     -2.751    1.707   -1.088
 DRJ           CAJ    C    CR16      0.000     -1.730    2.379   -1.760
 DRJ           HAJ    H    H         0.000     -0.991    2.940   -1.199
 DRJ           CAH    C    CR16      0.000     -1.658    2.331   -3.152
 DRJ           HAH    H    H         0.000     -0.867    2.850   -3.678
 DRJ           CBA    C    CR6       0.000     -2.611    1.611   -3.855
 DRJ           CAI    C    CR16      0.000     -3.632    0.938   -3.203
 DRJ           HAI    H    H         0.000     -4.367    0.379   -3.769
 DRJ           CAK    C    CR16      0.000     -3.703    0.987   -1.811
 DRJ           HAK    H    H         0.000     -4.497    0.465   -1.290
 DRJ           CAT    C    CH2       0.000     -2.536    1.559   -5.361
 DRJ           HAT1   H    H         0.000     -2.100    2.500   -5.704
 DRJ           HAT2   H    H         0.000     -3.556    1.472   -5.742
 DRJ           CAV    C    CH2       0.000     -1.697    0.390   -5.876
 DRJ           HAV1   H    H         0.000     -0.687    0.502   -5.478
 DRJ           HAV2   H    H         0.000     -1.667    0.454   -6.966
 DRJ           NBF    N    N         0.000     -2.237   -0.902   -5.478
 DRJ           CBC    C    CR5       0.000     -3.297   -1.483   -6.173
 DRJ           NAW    N    NRD5      0.000     -3.917   -1.005   -7.198
 DRJ           CBD    C    CR56      0.000     -4.844   -1.988   -7.451
 DRJ           CAL    C    CR16      0.000     -5.837   -2.094   -8.435
 DRJ           HAL    H    H         0.000     -5.976   -1.313   -9.173
 DRJ           CAF    C    CR16      0.000     -6.644   -3.241   -8.435
 DRJ           HAF    H    H         0.000     -7.418   -3.345   -9.185
 DRJ           CAG    C    CR16      0.000     -6.467   -4.253   -7.484
 DRJ           HAG    H    H         0.000     -7.107   -5.126   -7.514
 DRJ           CAM    C    CR16      0.000     -5.481   -4.163   -6.496
 DRJ           HAM    H    H         0.000     -5.335   -4.938   -5.754
 DRJ           CBE    C    CR56      0.000     -4.702   -3.012   -6.528
 DRJ           OAY    O    O2        0.000     -3.681   -2.677   -5.686
 DRJ           CAU    C    CH2       0.000     -1.647   -1.566   -4.322
 DRJ           HAU1   H    H         0.000     -2.441   -2.028   -3.733
 DRJ           HAU2   H    H         0.000     -1.128   -0.823   -3.712
 DRJ           CAS    C    CH2       0.000     -0.655   -2.639   -4.774
 DRJ           HAS1   H    H         0.000      0.124   -2.163   -5.374
 DRJ           HAS2   H    H         0.000     -1.187   -3.371   -5.384
 DRJ           CAR    C    CH2       0.000     -0.018   -3.340   -3.573
 DRJ           HAR1   H    H         0.000     -0.828   -3.761   -2.973
 DRJ           HAR2   H    H         0.000      0.507   -2.579   -2.991
 DRJ           CAQ    C    CH2       0.000      0.961   -4.451   -3.963
 DRJ           HAQ1   H    H         0.000      1.711   -4.008   -4.623
 DRJ           HAQ2   H    H         0.000      0.395   -5.206   -4.513
 DRJ           CAP    C    CH2       0.000      1.654   -5.103   -2.766
 DRJ           HAP1   H    H         0.000      0.890   -5.523   -2.109
 DRJ           HAP2   H    H         0.000      2.213   -4.334   -2.227
 DRJ           CAN    C    CH2       0.000      2.609   -6.210   -3.213
 DRJ           HAN1   H    H         0.000      3.372   -5.768   -3.858
 DRJ           HAN2   H    H         0.000      2.039   -6.949   -3.780
 DRJ           CAA    C    CH3       0.000      3.277   -6.884   -2.024
 DRJ           HAA3   H    H         0.000      2.536   -7.307   -1.395
 DRJ           HAA2   H    H         0.000      3.925   -7.649   -2.367
 DRJ           HAA1   H    H         0.000      3.835   -6.168   -1.478
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
 DRJ      OAD    n/a    CAZ    START
 DRJ      CAZ    OAD    CBG    .
 DRJ      OAE    CAZ    .      .
 DRJ      CBG    CAZ    OAX    .
 DRJ      CAC    CBG    HAC1   .
 DRJ      HAC3   CAC    .      .
 DRJ      HAC2   CAC    .      .
 DRJ      HAC1   CAC    .      .
 DRJ      CAO    CBG    CAB    .
 DRJ      HAO1   CAO    .      .
 DRJ      HAO2   CAO    .      .
 DRJ      CAB    CAO    HAB1   .
 DRJ      HAB3   CAB    .      .
 DRJ      HAB2   CAB    .      .
 DRJ      HAB1   CAB    .      .
 DRJ      OAX    CBG    CBB    .
 DRJ      CBB    OAX    CAJ    .
 DRJ      CAJ    CBB    CAH    .
 DRJ      HAJ    CAJ    .      .
 DRJ      CAH    CAJ    CBA    .
 DRJ      HAH    CAH    .      .
 DRJ      CBA    CAH    CAT    .
 DRJ      CAI    CBA    CAK    .
 DRJ      HAI    CAI    .      .
 DRJ      CAK    CAI    HAK    .
 DRJ      HAK    CAK    .      .
 DRJ      CAT    CBA    CAV    .
 DRJ      HAT1   CAT    .      .
 DRJ      HAT2   CAT    .      .
 DRJ      CAV    CAT    NBF    .
 DRJ      HAV1   CAV    .      .
 DRJ      HAV2   CAV    .      .
 DRJ      NBF    CAV    CAU    .
 DRJ      CBC    NBF    NAW    .
 DRJ      NAW    CBC    CBD    .
 DRJ      CBD    NAW    CBE    .
 DRJ      CAL    CBD    CAF    .
 DRJ      HAL    CAL    .      .
 DRJ      CAF    CAL    CAG    .
 DRJ      HAF    CAF    .      .
 DRJ      CAG    CAF    CAM    .
 DRJ      HAG    CAG    .      .
 DRJ      CAM    CAG    HAM    .
 DRJ      HAM    CAM    .      .
 DRJ      CBE    CBD    OAY    .
 DRJ      OAY    CBE    .      .
 DRJ      CAU    NBF    CAS    .
 DRJ      HAU1   CAU    .      .
 DRJ      HAU2   CAU    .      .
 DRJ      CAS    CAU    CAR    .
 DRJ      HAS1   CAS    .      .
 DRJ      HAS2   CAS    .      .
 DRJ      CAR    CAS    CAQ    .
 DRJ      HAR1   CAR    .      .
 DRJ      HAR2   CAR    .      .
 DRJ      CAQ    CAR    CAP    .
 DRJ      HAQ1   CAQ    .      .
 DRJ      HAQ2   CAQ    .      .
 DRJ      CAP    CAQ    CAN    .
 DRJ      HAP1   CAP    .      .
 DRJ      HAP2   CAP    .      .
 DRJ      CAN    CAP    CAA    .
 DRJ      HAN1   CAN    .      .
 DRJ      HAN2   CAN    .      .
 DRJ      CAA    CAN    HAA1   .
 DRJ      HAA3   CAA    .      .
 DRJ      HAA2   CAA    .      .
 DRJ      HAA1   CAA    .      END
 DRJ      CBB    CAK    .    ADD
 DRJ      CBC    OAY    .    ADD
 DRJ      CBE    CAM    .    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
 DRJ      CAB    CAO       single      1.513    0.020
 DRJ      HAB1   CAB       single      1.059    0.020
 DRJ      HAB2   CAB       single      1.059    0.020
 DRJ      HAB3   CAB       single      1.059    0.020
 DRJ      CAO    CBG       single      1.524    0.020
 DRJ      HAO1   CAO       single      1.092    0.020
 DRJ      HAO2   CAO       single      1.092    0.020
 DRJ      OAX    CBG       single      1.426    0.020
 DRJ      CAC    CBG       single      1.524    0.020
 DRJ      CBG    CAZ       single      1.507    0.020
 DRJ      CAZ    OAD       deloc       1.250    0.020
 DRJ      OAE    CAZ       deloc       1.250    0.020
 DRJ      HAC1   CAC       single      1.059    0.020
 DRJ      HAC2   CAC       single      1.059    0.020
 DRJ      HAC3   CAC       single      1.059    0.020
 DRJ      CBB    OAX       single      1.370    0.020
 DRJ      CAJ    CBB       double      1.390    0.020
 DRJ      CBB    CAK       single      1.390    0.020
 DRJ      CAK    CAI       double      1.390    0.020
 DRJ      HAK    CAK       single      1.083    0.020
 DRJ      CAI    CBA       single      1.390    0.020
 DRJ      HAI    CAI       single      1.083    0.020
 DRJ      CAH    CAJ       single      1.390    0.020
 DRJ      HAJ    CAJ       single      1.083    0.020
 DRJ      CBA    CAH       double      1.390    0.020
 DRJ      HAH    CAH       single      1.083    0.020
 DRJ      CAT    CBA       single      1.511    0.020
 DRJ      CAV    CAT       single      1.524    0.020
 DRJ      HAT1   CAT       single      1.092    0.020
 DRJ      HAT2   CAT       single      1.092    0.020
 DRJ      NBF    CAV       single      1.455    0.020
 DRJ      HAV1   CAV       single      1.092    0.020
 DRJ      HAV2   CAV       single      1.092    0.020
 DRJ      CBC    NBF       single      1.365    0.020
 DRJ      CAU    NBF       single      1.455    0.020
 DRJ      CAS    CAU       single      1.524    0.020
 DRJ      HAU1   CAU       single      1.092    0.020
 DRJ      HAU2   CAU       single      1.092    0.020
 DRJ      CAR    CAS       single      1.524    0.020
 DRJ      HAS1   CAS       single      1.092    0.020
 DRJ      HAS2   CAS       single      1.092    0.020
 DRJ      CAQ    CAR       single      1.524    0.020
 DRJ      HAR1   CAR       single      1.092    0.020
 DRJ      HAR2   CAR       single      1.092    0.020
 DRJ      CAP    CAQ       single      1.524    0.020
 DRJ      HAQ1   CAQ       single      1.092    0.020
 DRJ      HAQ2   CAQ       single      1.092    0.020
 DRJ      CAN    CAP       single      1.524    0.020
 DRJ      HAP1   CAP       single      1.092    0.020
 DRJ      HAP2   CAP       single      1.092    0.020
 DRJ      CAA    CAN       single      1.513    0.020
 DRJ      HAN1   CAN       single      1.092    0.020
 DRJ      HAN2   CAN       single      1.092    0.020
 DRJ      HAA1   CAA       single      1.059    0.020
 DRJ      HAA2   CAA       single      1.059    0.020
 DRJ      HAA3   CAA       single      1.059    0.020
 DRJ      NAW    CBC       double      1.350    0.020
 DRJ      CBC    OAY       single      1.370    0.020
 DRJ      OAY    CBE       single      1.329    0.020
 DRJ      CBE    CBD       double      1.490    0.020
 DRJ      CBE    CAM       single      1.390    0.020
 DRJ      CAM    CAG       double      1.390    0.020
 DRJ      HAM    CAM       single      1.083    0.020
 DRJ      CAG    CAF       single      1.390    0.020
 DRJ      HAG    CAG       single      1.083    0.020
 DRJ      CAF    CAL       double      1.390    0.020
 DRJ      HAF    CAF       single      1.083    0.020
 DRJ      CAL    CBD       single      1.390    0.020
 DRJ      HAL    CAL       single      1.083    0.020
 DRJ      CBD    NAW       single      1.350    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
 DRJ      OAD    CAZ    OAE     123.000    3.000
 DRJ      OAD    CAZ    CBG     118.500    3.000
 DRJ      OAE    CAZ    CBG     118.500    3.000
 DRJ      CAZ    CBG    CAO     109.470    3.000
 DRJ      CAZ    CBG    CAC     109.470    3.000
 DRJ      CAZ    CBG    OAX     109.470    3.000
 DRJ      CAO    CBG    CAC     111.000    3.000
 DRJ      CAO    CBG    OAX     109.470    3.000
 DRJ      CAC    CBG    OAX     109.470    3.000
 DRJ      CBG    CAO    HAO1    109.470    3.000
 DRJ      CBG    CAO    HAO2    109.470    3.000
 DRJ      CBG    CAO    CAB     111.000    3.000
 DRJ      HAO1   CAO    HAO2    107.900    3.000
 DRJ      HAO1   CAO    CAB     109.470    3.000
 DRJ      HAO2   CAO    CAB     109.470    3.000
 DRJ      CAO    CAB    HAB3    109.470    3.000
 DRJ      CAO    CAB    HAB2    109.470    3.000
 DRJ      CAO    CAB    HAB1    109.470    3.000
 DRJ      HAB3   CAB    HAB2    109.470    3.000
 DRJ      HAB3   CAB    HAB1    109.470    3.000
 DRJ      HAB2   CAB    HAB1    109.470    3.000
 DRJ      CBG    CAC    HAC3    109.470    3.000
 DRJ      CBG    CAC    HAC2    109.470    3.000
 DRJ      CBG    CAC    HAC1    109.470    3.000
 DRJ      HAC3   CAC    HAC2    109.470    3.000
 DRJ      HAC3   CAC    HAC1    109.470    3.000
 DRJ      HAC2   CAC    HAC1    109.470    3.000
 DRJ      CBG    OAX    CBB     120.000    3.000
 DRJ      OAX    CBB    CAJ     120.000    3.000
 DRJ      OAX    CBB    CAK     120.000    3.000
 DRJ      CAJ    CBB    CAK     120.000    3.000
 DRJ      CBB    CAJ    HAJ     120.000    3.000
 DRJ      CBB    CAJ    CAH     120.000    3.000
 DRJ      HAJ    CAJ    CAH     120.000    3.000
 DRJ      CAJ    CAH    HAH     120.000    3.000
 DRJ      CAJ    CAH    CBA     120.000    3.000
 DRJ      HAH    CAH    CBA     120.000    3.000
 DRJ      CAH    CBA    CAI     120.000    3.000
 DRJ      CAH    CBA    CAT     120.000    3.000
 DRJ      CAI    CBA    CAT     120.000    3.000
 DRJ      CBA    CAI    HAI     120.000    3.000
 DRJ      CBA    CAI    CAK     120.000    3.000
 DRJ      HAI    CAI    CAK     120.000    3.000
 DRJ      CAI    CAK    HAK     120.000    3.000
 DRJ      CAI    CAK    CBB     120.000    3.000
 DRJ      HAK    CAK    CBB     120.000    3.000
 DRJ      CBA    CAT    HAT1    109.470    3.000
 DRJ      CBA    CAT    HAT2    109.470    3.000
 DRJ      CBA    CAT    CAV     109.470    3.000
 DRJ      HAT1   CAT    HAT2    107.900    3.000
 DRJ      HAT1   CAT    CAV     109.470    3.000
 DRJ      HAT2   CAT    CAV     109.470    3.000
 DRJ      CAT    CAV    HAV1    109.470    3.000
 DRJ      CAT    CAV    HAV2    109.470    3.000
 DRJ      CAT    CAV    NBF     105.000    3.000
 DRJ      HAV1   CAV    HAV2    107.900    3.000
 DRJ      HAV1   CAV    NBF     109.470    3.000
 DRJ      HAV2   CAV    NBF     109.470    3.000
 DRJ      CAV    NBF    CBC     120.000    3.000
 DRJ      CAV    NBF    CAU     120.000    3.000
 DRJ      CBC    NBF    CAU     120.000    3.000
 DRJ      NBF    CBC    NAW     108.000    3.000
 DRJ      NBF    CBC    OAY     108.000    3.000
 DRJ      NAW    CBC    OAY     108.000    3.000
 DRJ      CBC    NAW    CBD     108.000    3.000
 DRJ      NAW    CBD    CAL     132.000    3.000
 DRJ      NAW    CBD    CBE     108.000    3.000
 DRJ      CAL    CBD    CBE     120.000    3.000
 DRJ      CBD    CAL    HAL     120.000    3.000
 DRJ      CBD    CAL    CAF     120.000    3.000
 DRJ      HAL    CAL    CAF     120.000    3.000
 DRJ      CAL    CAF    HAF     120.000    3.000
 DRJ      CAL    CAF    CAG     120.000    3.000
 DRJ      HAF    CAF    CAG     120.000    3.000
 DRJ      CAF    CAG    HAG     120.000    3.000
 DRJ      CAF    CAG    CAM     120.000    3.000
 DRJ      HAG    CAG    CAM     120.000    3.000
 DRJ      CAG    CAM    HAM     120.000    3.000
 DRJ      CAG    CAM    CBE     120.000    3.000
 DRJ      HAM    CAM    CBE     120.000    3.000
 DRJ      CBD    CBE    OAY     120.000    3.000
 DRJ      CBD    CBE    CAM     120.000    3.000
 DRJ      OAY    CBE    CAM     120.000    3.000
 DRJ      CBE    OAY    CBC     120.000    3.000
 DRJ      NBF    CAU    HAU1    109.470    3.000
 DRJ      NBF    CAU    HAU2    109.470    3.000
 DRJ      NBF    CAU    CAS     105.000    3.000
 DRJ      HAU1   CAU    HAU2    107.900    3.000
 DRJ      HAU1   CAU    CAS     109.470    3.000
 DRJ      HAU2   CAU    CAS     109.470    3.000
 DRJ      CAU    CAS    HAS1    109.470    3.000
 DRJ      CAU    CAS    HAS2    109.470    3.000
 DRJ      CAU    CAS    CAR     111.000    3.000
 DRJ      HAS1   CAS    HAS2    107.900    3.000
 DRJ      HAS1   CAS    CAR     109.470    3.000
 DRJ      HAS2   CAS    CAR     109.470    3.000
 DRJ      CAS    CAR    HAR1    109.470    3.000
 DRJ      CAS    CAR    HAR2    109.470    3.000
 DRJ      CAS    CAR    CAQ     111.000    3.000
 DRJ      HAR1   CAR    HAR2    107.900    3.000
 DRJ      HAR1   CAR    CAQ     109.470    3.000
 DRJ      HAR2   CAR    CAQ     109.470    3.000
 DRJ      CAR    CAQ    HAQ1    109.470    3.000
 DRJ      CAR    CAQ    HAQ2    109.470    3.000
 DRJ      CAR    CAQ    CAP     111.000    3.000
 DRJ      HAQ1   CAQ    HAQ2    107.900    3.000
 DRJ      HAQ1   CAQ    CAP     109.470    3.000
 DRJ      HAQ2   CAQ    CAP     109.470    3.000
 DRJ      CAQ    CAP    HAP1    109.470    3.000
 DRJ      CAQ    CAP    HAP2    109.470    3.000
 DRJ      CAQ    CAP    CAN     111.000    3.000
 DRJ      HAP1   CAP    HAP2    107.900    3.000
 DRJ      HAP1   CAP    CAN     109.470    3.000
 DRJ      HAP2   CAP    CAN     109.470    3.000
 DRJ      CAP    CAN    HAN1    109.470    3.000
 DRJ      CAP    CAN    HAN2    109.470    3.000
 DRJ      CAP    CAN    CAA     111.000    3.000
 DRJ      HAN1   CAN    HAN2    107.900    3.000
 DRJ      HAN1   CAN    CAA     109.470    3.000
 DRJ      HAN2   CAN    CAA     109.470    3.000
 DRJ      CAN    CAA    HAA3    109.470    3.000
 DRJ      CAN    CAA    HAA2    109.470    3.000
 DRJ      CAN    CAA    HAA1    109.470    3.000
 DRJ      HAA3   CAA    HAA2    109.470    3.000
 DRJ      HAA3   CAA    HAA1    109.470    3.000
 DRJ      HAA2   CAA    HAA1    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
 DRJ      var_1    OAD    CAZ    CBG    OAX     -117.033   20.000   1
 DRJ      var_2    CAZ    CBG    CAO    CAB     -179.618   20.000   1
 DRJ      var_3    CBG    CAO    CAB    HAB1    -177.461   20.000   3
 DRJ      var_4    CAZ    CBG    CAC    HAC1     -47.013   20.000   1
 DRJ      var_5    CAZ    CBG    OAX    CBB       60.037   20.000   1
 DRJ      var_6    CBG    OAX    CBB    CAJ      -90.111   20.000   1
 DRJ      CONST_1  OAX    CBB    CAK    CAI      180.000    0.000   0
 DRJ      CONST_2  OAX    CBB    CAJ    CAH      180.000    0.000   0
 DRJ      CONST_3  CBB    CAJ    CAH    CBA        0.000    0.000   0
 DRJ      CONST_4  CAJ    CAH    CBA    CAT      180.000    0.000   0
 DRJ      CONST_5  CAH    CBA    CAI    CAK        0.000    0.000   0
 DRJ      CONST_6  CBA    CAI    CAK    CBB        0.000    0.000   0
 DRJ      var_7    CAH    CBA    CAT    CAV       89.984   20.000   2
 DRJ      var_8    CBA    CAT    CAV    NBF       61.131   20.000   3
 DRJ      var_9    CAT    CAV    NBF    CAU      -98.689   20.000   1
 DRJ      var_10   CAV    NBF    CBC    NAW        0.011   20.000   1
 DRJ      CONST_7  NBF    CBC    OAY    CBE      180.000    0.000   0
 DRJ      CONST_8  NBF    CBC    NAW    CBD      180.000    0.000   0
 DRJ      CONST_9  CBC    NAW    CBD    CBE        0.000    0.000   0
 DRJ      CONST_10 NAW    CBD    CAL    CAF      180.000    0.000   0
 DRJ      CONST_11 CBD    CAL    CAF    CAG        0.000    0.000   0
 DRJ      CONST_12 CAL    CAF    CAG    CAM        0.000    0.000   0
 DRJ      CONST_13 CAF    CAG    CAM    CBE        0.000    0.000   0
 DRJ      CONST_14 NAW    CBD    CBE    OAY        0.000    0.000   0
 DRJ      CONST_15 CBD    CBE    CAM    CAG        0.000    0.000   0
 DRJ      CONST_16 CBD    CBE    OAY    CBC        0.000    0.000   0
 DRJ      var_11   CAV    NBF    CAU    CAS      -99.576   20.000   1
 DRJ      var_12   NBF    CAU    CAS    CAR      179.631   20.000   3
 DRJ      var_13   CAU    CAS    CAR    CAQ      178.579   20.000   3
 DRJ      var_14   CAS    CAR    CAQ    CAP      176.942   20.000   3
 DRJ      var_15   CAR    CAQ    CAP    CAN      179.520   20.000   3
 DRJ      var_16   CAQ    CAP    CAN    CAA     -178.651   20.000   3
 DRJ      var_17   CAP    CAN    CAA    HAA1     -60.397   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
 DRJ      chir_01  CBG    CAO    CAZ    CAC       negativ
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
 DRJ      plan-1    CAZ       0.020
 DRJ      plan-1    CBG       0.020
 DRJ      plan-1    OAE       0.020
 DRJ      plan-1    OAD       0.020
 DRJ      plan-2    CBB       0.020
 DRJ      plan-2    OAX       0.020
 DRJ      plan-2    CAK       0.020
 DRJ      plan-2    CAJ       0.020
 DRJ      plan-2    CAI       0.020
 DRJ      plan-2    CAH       0.020
 DRJ      plan-2    CBA       0.020
 DRJ      plan-2    HAK       0.020
 DRJ      plan-2    HAI       0.020
 DRJ      plan-2    HAJ       0.020
 DRJ      plan-2    HAH       0.020
 DRJ      plan-2    CAT       0.020
 DRJ      plan-3    NBF       0.020
 DRJ      plan-3    CAV       0.020
 DRJ      plan-3    CAU       0.020
 DRJ      plan-3    CBC       0.020
 DRJ      plan-4    CBC       0.020
 DRJ      plan-4    NBF       0.020
 DRJ      plan-4    OAY       0.020
 DRJ      plan-4    NAW       0.020
 DRJ      plan-4    CBD       0.020
 DRJ      plan-4    CBE       0.020
 DRJ      plan-4    CAM       0.020
 DRJ      plan-4    CAG       0.020
 DRJ      plan-4    CAF       0.020
 DRJ      plan-4    CAL       0.020
 DRJ      plan-4    HAM       0.020
 DRJ      plan-4    HAG       0.020
 DRJ      plan-4    HAF       0.020
 DRJ      plan-4    HAL       0.020
# ------------------------------------------------------
