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
DRR      DRR '.                                   ' non-polymer       100  49 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DRR
#
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
 DRR           O      O    O         0.000      0.000    0.000    0.000
 DRR           C      C    C         0.000      0.267    0.461    1.089
 DRR           CA     C    CH1       0.000      1.567    1.189    1.315
 DRR           HA     H    H         0.000      2.341    0.779    0.650
 DRR           CB     C    CH1       0.000      2.001    1.025    2.773
 DRR           HB     H    H         0.000      3.010    1.440    2.904
 DRR           CG2    C    CH3       0.000      2.010   -0.461    3.139
 DRR           HG2B   H    H         0.000      2.435   -0.586    4.101
 DRR           HG2A   H    H         0.000      1.017   -0.831    3.142
 DRR           HG2    H    H         0.000      2.583   -0.997    2.428
 DRR           CG1    C    CH3       0.000      1.022    1.770    3.683
 DRR           HG1B   H    H         0.000      1.551    2.203    4.492
 DRR           HG1A   H    H         0.000      0.536    2.532    3.131
 DRR           HG1    H    H         0.000      0.300    1.091    4.057
 DRR           N      N    NH1       0.000      1.363    2.628    1.015
 DRR           HN     H    H         0.000      0.678    2.955    0.349
 DRR           CAD    C    C         0.000      2.181    3.474    1.715
 DRR           OAE    O    O         0.000      2.985    3.041    2.513
 DRR           CAA    C    CH2       0.000      2.057    4.957    1.474
 DRR           HAA    H    H         0.000      1.265    5.141    0.745
 DRR           HAAA   H    H         0.000      3.003    5.342    1.088
 DRR           CAB    C    CH2       0.000      1.716    5.661    2.789
 DRR           HAB    H    H         0.000      2.148    6.664    2.787
 DRR           HABA   H    H         0.000      2.127    5.091    3.625
 DRR           CAC    C    CH2       0.000      0.196    5.759    2.935
 DRR           HAC    H    H         0.000     -0.276    4.951    2.371
 DRR           HACA   H    H         0.000     -0.145    6.721    2.545
 DRR           CAW    C    CH2       0.000     -0.183    5.642    4.413
 DRR           HAW    H    H         0.000     -0.018    6.601    4.908
 DRR           HAWA   H    H         0.000      0.436    4.877    4.888
 DRR           OAV    O    O2        0.000     -1.561    5.277    4.522
 DRR           CAU    C    CR6       0.000     -1.904    4.031    4.100
 DRR           CAT    C    CR16      0.000     -2.445    3.851    2.835
 DRR           HAT    H    H         0.000     -2.600    4.703    2.185
 DRR           CAR    C    CR16      0.000     -2.786    2.583    2.406
 DRR           HAR    H    H         0.000     -3.210    2.442    1.419
 DRR           CAS    C    CR16      0.000     -1.710    2.938    4.932
 DRR           HAS    H    H         0.000     -1.291    3.077    5.921
 DRR           CAQ    C    CR16      0.000     -2.052    1.672    4.498
 DRR           HAQ    H    H         0.000     -1.901    0.818    5.146
 DRR           CAP    C    CR6       0.000     -2.588    1.495    3.235
 DRR           CAO    C    CH2       0.000     -2.954    0.111    2.761
 DRR           HAOA   H    H         0.000     -3.896    0.151    2.210
 DRR           HAO    H    H         0.000     -3.065   -0.553    3.621
 DRR           NAM    N    NH1       0.000     -0.603    0.330    2.128
 DRR           HNAM   H    H         0.000     -0.410    0.720    3.040
 DRR           CAN    C    CH1       0.000     -1.847   -0.417    1.845
 DRR           HAN    H    H         0.000     -1.687   -1.487    2.037
 DRR           CAX    C    C         0.000     -2.242   -0.214    0.406
 DRR           OAY    O    O         0.000     -2.109    0.875   -0.112
 DRR           NAZ    N    NH1       0.000     -2.743   -1.243   -0.307
 DRR           HNAZ   H    H         0.000     -2.854   -2.150    0.124
 DRR           CBA    C    CH1       0.000     -3.127   -1.045   -1.708
 DRR           HBA    H    H         0.000     -2.437   -0.332   -2.180
 DRR           CBK    C    C         0.000     -4.533   -0.505   -1.772
 DRR           OBL    O    O         0.000     -5.258   -0.790   -2.701
 DRR           NBM    N    NH1       0.000     -4.979    0.309   -0.773
 DRR           HNBM   H    H         0.000     -4.409    0.532    0.031
 DRR           CBB    C    CH2       0.000     -3.064   -2.384   -2.448
 DRR           HBB    H    H         0.000     -2.223   -2.970   -2.071
 DRR           HBBA   H    H         0.000     -2.930   -2.203   -3.517
 DRR           CBC    C    CR6       0.000     -4.347   -3.139   -2.221
 DRR           CBF    C    CR16      0.000     -4.670   -3.590   -0.955
 DRR           HBF    H    H         0.000     -3.980   -3.438   -0.134
 DRR           CBG    C    CR16      0.000     -5.872   -4.235   -0.736
 DRR           HBG    H    H         0.000     -6.123   -4.591    0.256
 DRR           CBD    C    CR16      0.000     -5.211   -3.366   -3.277
 DRR           HBD    H    H         0.000     -4.943   -3.038   -4.274
 DRR           CBE    C    CR16      0.000     -6.415   -4.010   -3.064
 DRR           HBE    H    H         0.000     -7.089   -4.188   -3.893
 DRR           CBH    C    CR6       0.000     -6.758   -4.426   -1.786
 DRR           OBI    O    O2        0.000     -7.957   -5.027   -1.560
 DRR           CBJ    C    CH2       0.000     -9.025   -4.150   -1.177
 DRR           HBJ    H    H         0.000     -9.297   -4.331   -0.136
 DRR           HBJA   H    H         0.000     -9.894   -4.324   -1.815
 DRR           CBW    C    CH2       0.000     -8.552   -2.702   -1.340
 DRR           HBW    H    H         0.000     -9.115   -2.222   -2.143
 DRR           HBWA   H    H         0.000     -7.488   -2.690   -1.585
 DRR           CBV    C    CH2       0.000     -8.783   -1.945   -0.032
 DRR           HBV    H    H         0.000     -8.725   -2.640    0.808
 DRR           HBVA   H    H         0.000     -9.769   -1.477   -0.049
 DRR           NBU    N    NH1       0.000     -7.743   -0.904    0.115
 DRR           HNBU   H    H         0.000     -7.362   -0.655    1.016
 DRR           CBS    C    C         0.000     -7.325   -0.298   -1.035
 DRR           OBT    O    O         0.000     -7.732   -0.672   -2.114
 DRR           CBN    C    CH1       0.000     -6.348    0.845   -0.936
 DRR           HBN    H    H         0.000     -6.602    1.471   -0.070
 DRR           CBO    C    CH1       0.000     -6.417    1.687   -2.212
 DRR           HBO    H    H         0.000     -6.280    1.037   -3.087
 DRR           CBP    C    CH3       0.000     -7.782    2.374   -2.296
 DRR           HBPB   H    H         0.000     -7.829    2.962   -3.176
 DRR           HBPA   H    H         0.000     -8.546    1.641   -2.320
 DRR           HBP    H    H         0.000     -7.917    2.997   -1.449
 DRR           CBQ    C    CH2       0.000     -5.313    2.747   -2.184
 DRR           HBQ    H    H         0.000     -4.347    2.261   -2.034
 DRR           HBQA   H    H         0.000     -5.500    3.445   -1.366
 DRR           CBR    C    CH3       0.000     -5.302    3.506   -3.512
 DRR           HBRB   H    H         0.000     -6.240    3.979   -3.660
 DRR           HBRA   H    H         0.000     -4.538    4.241   -3.496
 DRR           HBR    H    H         0.000     -5.121    2.830   -4.308
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
 DRR      O      n/a    C      START
 DRR      C      O      NAM    .
 DRR      CA     C      N      .
 DRR      HA     CA     .      .
 DRR      CB     CA     CG1    .
 DRR      HB     CB     .      .
 DRR      CG2    CB     HG2    .
 DRR      HG2B   CG2    .      .
 DRR      HG2A   CG2    .      .
 DRR      HG2    CG2    .      .
 DRR      CG1    CB     HG1    .
 DRR      HG1B   CG1    .      .
 DRR      HG1A   CG1    .      .
 DRR      HG1    CG1    .      .
 DRR      N      CA     CAD    .
 DRR      HN     N      .      .
 DRR      CAD    N      CAA    .
 DRR      OAE    CAD    .      .
 DRR      CAA    CAD    CAB    .
 DRR      HAA    CAA    .      .
 DRR      HAAA   CAA    .      .
 DRR      CAB    CAA    CAC    .
 DRR      HAB    CAB    .      .
 DRR      HABA   CAB    .      .
 DRR      CAC    CAB    CAW    .
 DRR      HAC    CAC    .      .
 DRR      HACA   CAC    .      .
 DRR      CAW    CAC    OAV    .
 DRR      HAW    CAW    .      .
 DRR      HAWA   CAW    .      .
 DRR      OAV    CAW    CAU    .
 DRR      CAU    OAV    CAS    .
 DRR      CAT    CAU    CAR    .
 DRR      HAT    CAT    .      .
 DRR      CAR    CAT    HAR    .
 DRR      HAR    CAR    .      .
 DRR      CAS    CAU    CAQ    .
 DRR      HAS    CAS    .      .
 DRR      CAQ    CAS    CAP    .
 DRR      HAQ    CAQ    .      .
 DRR      CAP    CAQ    CAO    .
 DRR      CAO    CAP    HAO    .
 DRR      HAOA   CAO    .      .
 DRR      HAO    CAO    .      .
 DRR      NAM    C      CAN    .
 DRR      HNAM   NAM    .      .
 DRR      CAN    NAM    CAX    .
 DRR      HAN    CAN    .      .
 DRR      CAX    CAN    NAZ    .
 DRR      OAY    CAX    .      .
 DRR      NAZ    CAX    CBA    .
 DRR      HNAZ   NAZ    .      .
 DRR      CBA    NAZ    CBB    .
 DRR      HBA    CBA    .      .
 DRR      CBK    CBA    NBM    .
 DRR      OBL    CBK    .      .
 DRR      NBM    CBK    HNBM   .
 DRR      HNBM   NBM    .      .
 DRR      CBB    CBA    CBC    .
 DRR      HBB    CBB    .      .
 DRR      HBBA   CBB    .      .
 DRR      CBC    CBB    CBD    .
 DRR      CBF    CBC    CBG    .
 DRR      HBF    CBF    .      .
 DRR      CBG    CBF    HBG    .
 DRR      HBG    CBG    .      .
 DRR      CBD    CBC    CBE    .
 DRR      HBD    CBD    .      .
 DRR      CBE    CBD    CBH    .
 DRR      HBE    CBE    .      .
 DRR      CBH    CBE    OBI    .
 DRR      OBI    CBH    CBJ    .
 DRR      CBJ    OBI    CBW    .
 DRR      HBJ    CBJ    .      .
 DRR      HBJA   CBJ    .      .
 DRR      CBW    CBJ    CBV    .
 DRR      HBW    CBW    .      .
 DRR      HBWA   CBW    .      .
 DRR      CBV    CBW    NBU    .
 DRR      HBV    CBV    .      .
 DRR      HBVA   CBV    .      .
 DRR      NBU    CBV    CBS    .
 DRR      HNBU   NBU    .      .
 DRR      CBS    NBU    CBN    .
 DRR      OBT    CBS    .      .
 DRR      CBN    CBS    CBO    .
 DRR      HBN    CBN    .      .
 DRR      CBO    CBN    CBQ    .
 DRR      HBO    CBO    .      .
 DRR      CBP    CBO    HBP    .
 DRR      HBPB   CBP    .      .
 DRR      HBPA   CBP    .      .
 DRR      HBP    CBP    .      .
 DRR      CBQ    CBO    CBR    .
 DRR      HBQ    CBQ    .      .
 DRR      HBQA   CBQ    .      .
 DRR      CBR    CBQ    HBR    .
 DRR      HBRB   CBR    .      .
 DRR      HBRA   CBR    .      .
 DRR      HBR    CBR    .      END
 DRR      CBN    NBM    .    ADD
 DRR      CBH    CBG    .    ADD
 DRR      CAN    CAO    .    ADD
 DRR      CAP    CAR    .    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
 DRR      CBR    CBQ       single      1.513    0.020
 DRR      CBQ    CBO       single      1.524    0.020
 DRR      CBP    CBO       single      1.524    0.020
 DRR      CBO    CBN       single      1.524    0.020
 DRR      CBN    NBM       single      1.450    0.020
 DRR      CBN    CBS       single      1.500    0.020
 DRR      NBM    CBK       single      1.330    0.020
 DRR      OBL    CBK       double      1.220    0.020
 DRR      CBK    CBA       single      1.500    0.020
 DRR      OBT    CBS       double      1.220    0.020
 DRR      CBS    NBU       single      1.330    0.020
 DRR      NBU    CBV       single      1.450    0.020
 DRR      CBV    CBW       single      1.524    0.020
 DRR      CBW    CBJ       single      1.524    0.020
 DRR      CBJ    OBI       single      1.426    0.020
 DRR      OBI    CBH       single      1.370    0.020
 DRR      CBH    CBG       double      1.390    0.020
 DRR      CBH    CBE       single      1.390    0.020
 DRR      CBG    CBF       single      1.390    0.020
 DRR      CBF    CBC       double      1.390    0.020
 DRR      CBE    CBD       double      1.390    0.020
 DRR      CBD    CBC       single      1.390    0.020
 DRR      CBC    CBB       single      1.511    0.020
 DRR      CBB    CBA       single      1.524    0.020
 DRR      CBA    NAZ       single      1.450    0.020
 DRR      NAZ    CAX       single      1.330    0.020
 DRR      OAY    CAX       double      1.220    0.020
 DRR      CAX    CAN       single      1.500    0.020
 DRR      CAN    CAO       single      1.524    0.020
 DRR      CAN    NAM       single      1.450    0.020
 DRR      CAO    CAP       single      1.511    0.020
 DRR      CAP    CAR       double      1.390    0.020
 DRR      CAP    CAQ       single      1.390    0.020
 DRR      CAR    CAT       single      1.390    0.020
 DRR      CAT    CAU       double      1.390    0.020
 DRR      CAQ    CAS       double      1.390    0.020
 DRR      CAS    CAU       single      1.390    0.020
 DRR      CAU    OAV       single      1.370    0.020
 DRR      OAV    CAW       single      1.426    0.020
 DRR      CAW    CAC       single      1.524    0.020
 DRR      CAC    CAB       single      1.524    0.020
 DRR      CAB    CAA       single      1.524    0.020
 DRR      CAA    CAD       single      1.510    0.020
 DRR      OAE    CAD       double      1.220    0.020
 DRR      CAD    N         single      1.330    0.020
 DRR      N      CA        single      1.450    0.020
 DRR      CB     CA        single      1.524    0.020
 DRR      CA     C         single      1.500    0.020
 DRR      CG1    CB        single      1.524    0.020
 DRR      CG2    CB        single      1.524    0.020
 DRR      C      O         double      1.220    0.020
 DRR      NAM    C         single      1.330    0.020
 DRR      HBR    CBR       single      1.059    0.020
 DRR      HBRA   CBR       single      1.059    0.020
 DRR      HBRB   CBR       single      1.059    0.020
 DRR      HBQ    CBQ       single      1.092    0.020
 DRR      HBQA   CBQ       single      1.092    0.020
 DRR      HBO    CBO       single      1.099    0.020
 DRR      HBP    CBP       single      1.059    0.020
 DRR      HBPA   CBP       single      1.059    0.020
 DRR      HBPB   CBP       single      1.059    0.020
 DRR      HBN    CBN       single      1.099    0.020
 DRR      HNBM   NBM       single      1.010    0.020
 DRR      HNBU   NBU       single      1.010    0.020
 DRR      HBV    CBV       single      1.092    0.020
 DRR      HBVA   CBV       single      1.092    0.020
 DRR      HBW    CBW       single      1.092    0.020
 DRR      HBWA   CBW       single      1.092    0.020
 DRR      HBJ    CBJ       single      1.092    0.020
 DRR      HBJA   CBJ       single      1.092    0.020
 DRR      HBG    CBG       single      1.083    0.020
 DRR      HBF    CBF       single      1.083    0.020
 DRR      HBE    CBE       single      1.083    0.020
 DRR      HBD    CBD       single      1.083    0.020
 DRR      HBB    CBB       single      1.092    0.020
 DRR      HBBA   CBB       single      1.092    0.020
 DRR      HBA    CBA       single      1.099    0.020
 DRR      HNAZ   NAZ       single      1.010    0.020
 DRR      HAN    CAN       single      1.099    0.020
 DRR      HAO    CAO       single      1.092    0.020
 DRR      HAOA   CAO       single      1.092    0.020
 DRR      HAR    CAR       single      1.083    0.020
 DRR      HAT    CAT       single      1.083    0.020
 DRR      HAQ    CAQ       single      1.083    0.020
 DRR      HAS    CAS       single      1.083    0.020
 DRR      HAW    CAW       single      1.092    0.020
 DRR      HAWA   CAW       single      1.092    0.020
 DRR      HAC    CAC       single      1.092    0.020
 DRR      HACA   CAC       single      1.092    0.020
 DRR      HAB    CAB       single      1.092    0.020
 DRR      HABA   CAB       single      1.092    0.020
 DRR      HAA    CAA       single      1.092    0.020
 DRR      HAAA   CAA       single      1.092    0.020
 DRR      HN     N         single      1.010    0.020
 DRR      HA     CA        single      1.099    0.020
 DRR      HB     CB        single      1.099    0.020
 DRR      HG1    CG1       single      1.059    0.020
 DRR      HG1A   CG1       single      1.059    0.020
 DRR      HG1B   CG1       single      1.059    0.020
 DRR      HG2    CG2       single      1.059    0.020
 DRR      HG2A   CG2       single      1.059    0.020
 DRR      HG2B   CG2       single      1.059    0.020
 DRR      HNAM   NAM       single      1.010    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
 DRR      O      C      CA      120.500    3.000
 DRR      O      C      NAM     123.000    3.000
 DRR      CA     C      NAM     116.500    3.000
 DRR      C      CA     HA      108.810    3.000
 DRR      C      CA     CB      109.470    3.000
 DRR      C      CA     N       111.600    3.000
 DRR      HA     CA     CB      108.340    3.000
 DRR      HA     CA     N       108.550    3.000
 DRR      CB     CA     N       110.000    3.000
 DRR      CA     CB     HB      108.340    3.000
 DRR      CA     CB     CG2     111.000    3.000
 DRR      CA     CB     CG1     111.000    3.000
 DRR      HB     CB     CG2     108.340    3.000
 DRR      HB     CB     CG1     108.340    3.000
 DRR      CG2    CB     CG1     111.000    3.000
 DRR      CB     CG2    HG2B    109.470    3.000
 DRR      CB     CG2    HG2A    109.470    3.000
 DRR      CB     CG2    HG2     109.470    3.000
 DRR      HG2B   CG2    HG2A    109.470    3.000
 DRR      HG2B   CG2    HG2     109.470    3.000
 DRR      HG2A   CG2    HG2     109.470    3.000
 DRR      CB     CG1    HG1B    109.470    3.000
 DRR      CB     CG1    HG1A    109.470    3.000
 DRR      CB     CG1    HG1     109.470    3.000
 DRR      HG1B   CG1    HG1A    109.470    3.000
 DRR      HG1B   CG1    HG1     109.470    3.000
 DRR      HG1A   CG1    HG1     109.470    3.000
 DRR      CA     N      HN      118.500    3.000
 DRR      CA     N      CAD     121.500    3.000
 DRR      HN     N      CAD     120.000    3.000
 DRR      N      CAD    OAE     123.000    3.000
 DRR      N      CAD    CAA     116.500    3.000
 DRR      OAE    CAD    CAA     120.500    3.000
 DRR      CAD    CAA    HAA     109.470    3.000
 DRR      CAD    CAA    HAAA    109.470    3.000
 DRR      CAD    CAA    CAB     109.470    3.000
 DRR      HAA    CAA    HAAA    107.900    3.000
 DRR      HAA    CAA    CAB     109.470    3.000
 DRR      HAAA   CAA    CAB     109.470    3.000
 DRR      CAA    CAB    HAB     109.470    3.000
 DRR      CAA    CAB    HABA    109.470    3.000
 DRR      CAA    CAB    CAC     111.000    3.000
 DRR      HAB    CAB    HABA    107.900    3.000
 DRR      HAB    CAB    CAC     109.470    3.000
 DRR      HABA   CAB    CAC     109.470    3.000
 DRR      CAB    CAC    HAC     109.470    3.000
 DRR      CAB    CAC    HACA    109.470    3.000
 DRR      CAB    CAC    CAW     111.000    3.000
 DRR      HAC    CAC    HACA    107.900    3.000
 DRR      HAC    CAC    CAW     109.470    3.000
 DRR      HACA   CAC    CAW     109.470    3.000
 DRR      CAC    CAW    HAW     109.470    3.000
 DRR      CAC    CAW    HAWA    109.470    3.000
 DRR      CAC    CAW    OAV     109.470    3.000
 DRR      HAW    CAW    HAWA    107.900    3.000
 DRR      HAW    CAW    OAV     109.470    3.000
 DRR      HAWA   CAW    OAV     109.470    3.000
 DRR      CAW    OAV    CAU     120.000    3.000
 DRR      OAV    CAU    CAT     120.000    3.000
 DRR      OAV    CAU    CAS     120.000    3.000
 DRR      CAT    CAU    CAS     120.000    3.000
 DRR      CAU    CAT    HAT     120.000    3.000
 DRR      CAU    CAT    CAR     120.000    3.000
 DRR      HAT    CAT    CAR     120.000    3.000
 DRR      CAT    CAR    HAR     120.000    3.000
 DRR      CAT    CAR    CAP     120.000    3.000
 DRR      HAR    CAR    CAP     120.000    3.000
 DRR      CAU    CAS    HAS     120.000    3.000
 DRR      CAU    CAS    CAQ     120.000    3.000
 DRR      HAS    CAS    CAQ     120.000    3.000
 DRR      CAS    CAQ    HAQ     120.000    3.000
 DRR      CAS    CAQ    CAP     120.000    3.000
 DRR      HAQ    CAQ    CAP     120.000    3.000
 DRR      CAQ    CAP    CAO     120.000    3.000
 DRR      CAQ    CAP    CAR     120.000    3.000
 DRR      CAO    CAP    CAR     120.000    3.000
 DRR      CAP    CAO    HAOA    109.470    3.000
 DRR      CAP    CAO    HAO     109.470    3.000
 DRR      CAP    CAO    CAN     109.470    3.000
 DRR      HAOA   CAO    HAO     107.900    3.000
 DRR      HAOA   CAO    CAN     109.470    3.000
 DRR      HAO    CAO    CAN     109.470    3.000
 DRR      C      NAM    HNAM    120.000    3.000
 DRR      C      NAM    CAN     121.500    3.000
 DRR      HNAM   NAM    CAN     118.500    3.000
 DRR      NAM    CAN    HAN     108.550    3.000
 DRR      NAM    CAN    CAX     111.600    3.000
 DRR      NAM    CAN    CAO     110.000    3.000
 DRR      HAN    CAN    CAX     108.810    3.000
 DRR      HAN    CAN    CAO     108.340    3.000
 DRR      CAX    CAN    CAO     109.470    3.000
 DRR      CAN    CAX    OAY     120.500    3.000
 DRR      CAN    CAX    NAZ     116.500    3.000
 DRR      OAY    CAX    NAZ     123.000    3.000
 DRR      CAX    NAZ    HNAZ    120.000    3.000
 DRR      CAX    NAZ    CBA     121.500    3.000
 DRR      HNAZ   NAZ    CBA     118.500    3.000
 DRR      NAZ    CBA    HBA     108.550    3.000
 DRR      NAZ    CBA    CBK     111.600    3.000
 DRR      NAZ    CBA    CBB     110.000    3.000
 DRR      HBA    CBA    CBK     108.810    3.000
 DRR      HBA    CBA    CBB     108.340    3.000
 DRR      CBK    CBA    CBB     109.470    3.000
 DRR      CBA    CBK    OBL     120.500    3.000
 DRR      CBA    CBK    NBM     116.500    3.000
 DRR      OBL    CBK    NBM     123.000    3.000
 DRR      CBK    NBM    HNBM    120.000    3.000
 DRR      CBK    NBM    CBN     121.500    3.000
 DRR      HNBM   NBM    CBN     118.500    3.000
 DRR      CBA    CBB    HBB     109.470    3.000
 DRR      CBA    CBB    HBBA    109.470    3.000
 DRR      CBA    CBB    CBC     109.470    3.000
 DRR      HBB    CBB    HBBA    107.900    3.000
 DRR      HBB    CBB    CBC     109.470    3.000
 DRR      HBBA   CBB    CBC     109.470    3.000
 DRR      CBB    CBC    CBF     120.000    3.000
 DRR      CBB    CBC    CBD     120.000    3.000
 DRR      CBF    CBC    CBD     120.000    3.000
 DRR      CBC    CBF    HBF     120.000    3.000
 DRR      CBC    CBF    CBG     120.000    3.000
 DRR      HBF    CBF    CBG     120.000    3.000
 DRR      CBF    CBG    HBG     120.000    3.000
 DRR      CBF    CBG    CBH     120.000    3.000
 DRR      HBG    CBG    CBH     120.000    3.000
 DRR      CBC    CBD    HBD     120.000    3.000
 DRR      CBC    CBD    CBE     120.000    3.000
 DRR      HBD    CBD    CBE     120.000    3.000
 DRR      CBD    CBE    HBE     120.000    3.000
 DRR      CBD    CBE    CBH     120.000    3.000
 DRR      HBE    CBE    CBH     120.000    3.000
 DRR      CBE    CBH    OBI     120.000    3.000
 DRR      CBE    CBH    CBG     120.000    3.000
 DRR      OBI    CBH    CBG     120.000    3.000
 DRR      CBH    OBI    CBJ     120.000    3.000
 DRR      OBI    CBJ    HBJ     109.470    3.000
 DRR      OBI    CBJ    HBJA    109.470    3.000
 DRR      OBI    CBJ    CBW     109.470    3.000
 DRR      HBJ    CBJ    HBJA    107.900    3.000
 DRR      HBJ    CBJ    CBW     109.470    3.000
 DRR      HBJA   CBJ    CBW     109.470    3.000
 DRR      CBJ    CBW    HBW     109.470    3.000
 DRR      CBJ    CBW    HBWA    109.470    3.000
 DRR      CBJ    CBW    CBV     111.000    3.000
 DRR      HBW    CBW    HBWA    107.900    3.000
 DRR      HBW    CBW    CBV     109.470    3.000
 DRR      HBWA   CBW    CBV     109.470    3.000
 DRR      CBW    CBV    HBV     109.470    3.000
 DRR      CBW    CBV    HBVA    109.470    3.000
 DRR      CBW    CBV    NBU     112.000    3.000
 DRR      HBV    CBV    HBVA    107.900    3.000
 DRR      HBV    CBV    NBU     109.470    3.000
 DRR      HBVA   CBV    NBU     109.470    3.000
 DRR      CBV    NBU    HNBU    118.500    3.000
 DRR      CBV    NBU    CBS     121.500    3.000
 DRR      HNBU   NBU    CBS     120.000    3.000
 DRR      NBU    CBS    OBT     123.000    3.000
 DRR      NBU    CBS    CBN     116.500    3.000
 DRR      OBT    CBS    CBN     120.500    3.000
 DRR      CBS    CBN    HBN     108.810    3.000
 DRR      CBS    CBN    CBO     109.470    3.000
 DRR      CBS    CBN    NBM     111.600    3.000
 DRR      HBN    CBN    CBO     108.340    3.000
 DRR      HBN    CBN    NBM     108.550    3.000
 DRR      CBO    CBN    NBM     110.000    3.000
 DRR      CBN    CBO    HBO     108.340    3.000
 DRR      CBN    CBO    CBP     111.000    3.000
 DRR      CBN    CBO    CBQ     111.000    3.000
 DRR      HBO    CBO    CBP     108.340    3.000
 DRR      HBO    CBO    CBQ     108.340    3.000
 DRR      CBP    CBO    CBQ     111.000    3.000
 DRR      CBO    CBP    HBPB    109.470    3.000
 DRR      CBO    CBP    HBPA    109.470    3.000
 DRR      CBO    CBP    HBP     109.470    3.000
 DRR      HBPB   CBP    HBPA    109.470    3.000
 DRR      HBPB   CBP    HBP     109.470    3.000
 DRR      HBPA   CBP    HBP     109.470    3.000
 DRR      CBO    CBQ    HBQ     109.470    3.000
 DRR      CBO    CBQ    HBQA    109.470    3.000
 DRR      CBO    CBQ    CBR     111.000    3.000
 DRR      HBQ    CBQ    HBQA    107.900    3.000
 DRR      HBQ    CBQ    CBR     109.470    3.000
 DRR      HBQA   CBQ    CBR     109.470    3.000
 DRR      CBQ    CBR    HBRB    109.470    3.000
 DRR      CBQ    CBR    HBRA    109.470    3.000
 DRR      CBQ    CBR    HBR     109.470    3.000
 DRR      HBRB   CBR    HBRA    109.470    3.000
 DRR      HBRB   CBR    HBR     109.470    3.000
 DRR      HBRA   CBR    HBR     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
 DRR      var_1    O      C      CA     N         89.642   20.000   3
 DRR      var_2    C      CA     CB     CG1      -67.507   20.000   3
 DRR      var_3    CA     CB     CG2    HG2       52.318   20.000   3
 DRR      var_4    CA     CB     CG1    HG1       96.534   20.000   3
 DRR      var_5    C      CA     N      CAD      151.469   20.000   3
 DRR      CONST_1  CA     N      CAD    CAA      180.000    0.000   0
 DRR      var_6    N      CAD    CAA    CAB      121.428   20.000   3
 DRR      var_7    CAD    CAA    CAB    CAC      -91.167   20.000   3
 DRR      var_8    CAA    CAB    CAC    CAW      146.196   20.000   3
 DRR      var_9    CAB    CAC    CAW    OAV     -160.420   20.000   3
 DRR      var_10   CAC    CAW    OAV    CAU       67.810   20.000   1
 DRR      var_11   CAW    OAV    CAU    CAS       81.460   20.000   1
 DRR      CONST_2  OAV    CAU    CAT    CAR      180.000    0.000   0
 DRR      CONST_3  CAU    CAT    CAR    CAP        0.000    0.000   0
 DRR      CONST_4  OAV    CAU    CAS    CAQ      180.000    0.000   0
 DRR      CONST_5  CAU    CAS    CAQ    CAP        0.000    0.000   0
 DRR      CONST_6  CAS    CAQ    CAP    CAO      180.000    0.000   0
 DRR      CONST_7  CAQ    CAP    CAR    CAT        0.000    0.000   0
 DRR      var_12   CAQ    CAP    CAO    CAN     -100.310   20.000   2
 DRR      CONST_8  O      C      NAM    CAN        0.000    0.000   0
 DRR      var_13   C      NAM    CAN    CAX      -31.318   20.000   3
 DRR      var_14   NAM    CAN    CAO    CAP       21.337   20.000   3
 DRR      var_15   NAM    CAN    CAX    NAZ      140.717   20.000   3
 DRR      CONST_9  CAN    CAX    NAZ    CBA      180.000    0.000   0
 DRR      var_16   CAX    NAZ    CBA    CBB      155.168   20.000   3
 DRR      var_17   NAZ    CBA    CBK    NBM       32.176   20.000   3
 DRR      CONST_10 CBA    CBK    NBM    CBN      180.000    0.000   0
 DRR      var_18   NAZ    CBA    CBB    CBC       83.631   20.000   3
 DRR      var_19   CBA    CBB    CBC    CBD      113.151   20.000   2
 DRR      CONST_11 CBB    CBC    CBF    CBG      180.000    0.000   0
 DRR      CONST_12 CBC    CBF    CBG    CBH        0.000    0.000   0
 DRR      CONST_13 CBB    CBC    CBD    CBE      180.000    0.000   0
 DRR      CONST_14 CBC    CBD    CBE    CBH        0.000    0.000   0
 DRR      CONST_15 CBD    CBE    CBH    OBI      180.000    0.000   0
 DRR      CONST_16 CBE    CBH    CBG    CBF        0.000    0.000   0
 DRR      var_20   CBE    CBH    OBI    CBJ      -92.156   20.000   1
 DRR      var_21   CBH    OBI    CBJ    CBW        8.744   20.000   1
 DRR      var_22   OBI    CBJ    CBW    CBV     -126.981   20.000   3
 DRR      var_23   CBJ    CBW    CBV    NBU      148.904   20.000   3
 DRR      var_24   CBW    CBV    NBU    CBS       35.146   20.000   3
 DRR      CONST_17 CBV    NBU    CBS    CBN      180.000    0.000   0
 DRR      var_25   NBU    CBS    CBN    CBO     -159.094   20.000   3
 DRR      var_26   CBS    CBN    NBM    CBK       59.209   20.000   3
 DRR      var_27   CBS    CBN    CBO    CBQ     -173.373   20.000   3
 DRR      var_28   CBN    CBO    CBP    HBP       59.679   20.000   3
 DRR      var_29   CBN    CBO    CBQ    CBR      174.973   20.000   3
 DRR      var_30   CBO    CBQ    CBR    HBR      -59.975   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
 DRR      chir_01  CBO    CBQ    CBP    CBN       positiv
 DRR      chir_02  CBN    CBO    NBM    CBS       positiv
 DRR      chir_03  CBA    CBK    CBB    NAZ       positiv
 DRR      chir_04  CAN    CAX    CAO    NAM       positiv
 DRR      chir_05  CA     N      CB     C         negativ
 DRR      chir_06  CB     CA     CG1    CG2       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
 DRR      plan-1    NBM       0.020
 DRR      plan-1    CBN       0.020
 DRR      plan-1    CBK       0.020
 DRR      plan-1    HNBM      0.020
 DRR      plan-2    CBK       0.020
 DRR      plan-2    NBM       0.020
 DRR      plan-2    OBL       0.020
 DRR      plan-2    CBA       0.020
 DRR      plan-2    HNBM      0.020
 DRR      plan-3    CBS       0.020
 DRR      plan-3    CBN       0.020
 DRR      plan-3    OBT       0.020
 DRR      plan-3    NBU       0.020
 DRR      plan-3    HNBU      0.020
 DRR      plan-4    NBU       0.020
 DRR      plan-4    CBS       0.020
 DRR      plan-4    CBV       0.020
 DRR      plan-4    HNBU      0.020
 DRR      plan-5    CBH       0.020
 DRR      plan-5    OBI       0.020
 DRR      plan-5    CBG       0.020
 DRR      plan-5    CBE       0.020
 DRR      plan-5    CBF       0.020
 DRR      plan-5    CBD       0.020
 DRR      plan-5    CBC       0.020
 DRR      plan-5    HBG       0.020
 DRR      plan-5    HBF       0.020
 DRR      plan-5    HBE       0.020
 DRR      plan-5    HBD       0.020
 DRR      plan-5    CBB       0.020
 DRR      plan-6    NAZ       0.020
 DRR      plan-6    CBA       0.020
 DRR      plan-6    CAX       0.020
 DRR      plan-6    HNAZ      0.020
 DRR      plan-7    CAX       0.020
 DRR      plan-7    NAZ       0.020
 DRR      plan-7    OAY       0.020
 DRR      plan-7    CAN       0.020
 DRR      plan-7    HNAZ      0.020
 DRR      plan-8    CAP       0.020
 DRR      plan-8    CAO       0.020
 DRR      plan-8    CAR       0.020
 DRR      plan-8    CAQ       0.020
 DRR      plan-8    CAT       0.020
 DRR      plan-8    CAS       0.020
 DRR      plan-8    CAU       0.020
 DRR      plan-8    HAR       0.020
 DRR      plan-8    HAT       0.020
 DRR      plan-8    HAQ       0.020
 DRR      plan-8    HAS       0.020
 DRR      plan-8    OAV       0.020
 DRR      plan-9    CAD       0.020
 DRR      plan-9    CAA       0.020
 DRR      plan-9    OAE       0.020
 DRR      plan-9    N         0.020
 DRR      plan-9    HN        0.020
 DRR      plan-10   N         0.020
 DRR      plan-10   CAD       0.020
 DRR      plan-10   CA        0.020
 DRR      plan-10   HN        0.020
 DRR      plan-11   C         0.020
 DRR      plan-11   CA        0.020
 DRR      plan-11   O         0.020
 DRR      plan-11   NAM       0.020
 DRR      plan-11   HNAM      0.020
 DRR      plan-12   NAM       0.020
 DRR      plan-12   CAN       0.020
 DRR      plan-12   C         0.020
 DRR      plan-12   HNAM      0.020
# ------------------------------------------------------
