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
OKD      OKD '"N-({(1S)-1-CARBOXY-5-[4-(2,5,8,11,1' non-polymer        79  41 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_OKD
#
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
 OKD           OAB    O    OC       -0.500      0.000    0.000    0.000
 OKD           CBH    C    C         0.000     -0.928   -0.822   -0.167
 OKD           OAF    O    OC       -0.500     -0.857   -1.960    0.348
 OKD           CAT    C    CH2       0.000     -2.133   -0.441   -0.989
 OKD           HAT1   H    H         0.000     -1.816   -0.189   -2.003
 OKD           HAT2   H    H         0.000     -2.623    0.424   -0.536
 OKD           CAV    C    CH2       0.000     -3.111   -1.617   -1.036
 OKD           HAV1   H    H         0.000     -3.426   -1.869   -0.021
 OKD           HAV2   H    H         0.000     -2.619   -2.481   -1.488
 OKD           CBN    C    CH1       0.000     -4.334   -1.230   -1.870
 OKD           HBN    H    H         0.000     -4.008   -0.892   -2.864
 OKD           CBJ    C    C         0.000     -5.239   -2.426   -2.019
 OKD           OAD    O    OC       -0.500     -4.815   -3.467   -2.568
 OKD           OAH    O    OC       -0.500     -6.414   -2.378   -1.592
 OKD           NBB    N    NH1       0.000     -5.060   -0.149   -1.200
 OKD           HBB    H    H         0.000     -4.980   -0.031   -0.200
 OKD           CBK    C    C         0.000     -5.833    0.689   -1.917
 OKD           OAE    O    O         0.000     -5.930    0.547   -3.122
 OKD           N      N    NH1       0.000     -6.501    1.684   -1.301
 OKD           H      H    H         0.000     -6.422    1.803   -0.301
 OKD           CA     C    CH1       0.000     -7.344    2.595   -2.081
 OKD           HA     H    H         0.000     -7.815    2.042   -2.906
 OKD           C      C    C         0.000     -6.495    3.707   -2.641
 OKD           O      O    OC       -0.500     -5.267    3.737   -2.406
 OKD           OXT    O    OC       -0.500     -7.019    4.600   -3.344
 OKD           CB     C    CH2       0.000     -8.428    3.187   -1.179
 OKD           HB1C   H    H         0.000     -8.998    3.932   -1.737
 OKD           HB2C   H    H         0.000     -7.961    3.660   -0.313
 OKD           CAJ    C    CH2       0.000     -9.365    2.071   -0.710
 OKD           HAJ1   H    H         0.000     -8.793    1.326   -0.154
 OKD           HAJ2   H    H         0.000     -9.830    1.599   -1.577
 OKD           CAK    C    CH2       0.000    -10.449    2.663    0.194
 OKD           HAK1   H    H         0.000    -11.019    3.409   -0.363
 OKD           HAK2   H    H         0.000     -9.982    3.136    1.060
 OKD           CAW    C    CH2       0.000    -11.386    1.549    0.663
 OKD           HAW1   H    H         0.000    -10.814    0.804    1.220
 OKD           HAW2   H    H         0.000    -11.851    1.076   -0.205
 OKD           NBO    N    NR5       0.000    -12.425    2.115    1.528
 OKD           CAI    C    CR15      0.000    -13.760    1.987    1.351
 OKD           HAI    H    H         0.000    -14.262    1.452    0.554
 OKD           NAZ    N    NRD5      0.000    -12.224    2.823    2.583
 OKD           NAY    N    NRD5      0.000    -13.346    3.166    3.109
 OKD           CBL    C    CR5       0.000    -14.342    2.660    2.371
 OKD           CAX    C    CH2       0.000    -15.819    2.816    2.621
 OKD           HAX1   H    H         0.000    -16.080    3.876    2.610
 OKD           HAX2   H    H         0.000    -16.069    2.391    3.596
 OKD           OBG    O    O2        0.000    -16.550    2.132    1.602
 OKD           CAS    C    CH2       0.000    -17.970    2.218    1.748
 OKD           HAS1   H    H         0.000    -18.276    3.266    1.717
 OKD           HAS2   H    H         0.000    -18.265    1.782    2.705
 OKD           CAR    C    CH2       0.000    -18.646    1.454    0.607
 OKD           HAR1   H    H         0.000    -18.282    1.834   -0.350
 OKD           HAR2   H    H         0.000    -19.727    1.595    0.666
 OKD           OBF    O    O2        0.000    -18.338    0.063    0.717
 OKD           CAQ    C    CH2       0.000    -18.924   -0.744   -0.306
 OKD           HAQ1   H    H         0.000    -18.568   -0.410   -1.282
 OKD           HAQ2   H    H         0.000    -20.012   -0.649   -0.265
 OKD           CAP    C    CH2       0.000    -18.530   -2.206   -0.091
 OKD           HAP1   H    H         0.000    -17.442   -2.286   -0.044
 OKD           HAP2   H    H         0.000    -18.903   -2.809   -0.921
 OKD           OBE    O    O2        0.000    -19.097   -2.678    1.135
 OKD           CAO    C    CH2       0.000    -18.788   -4.040    1.432
 OKD           HAO1   H    H         0.000    -17.705   -4.158    1.511
 OKD           HAO2   H    H         0.000    -19.165   -4.681    0.633
 OKD           CAN    C    CH2       0.000    -19.443   -4.434    2.758
 OKD           HAN1   H    H         0.000    -19.131   -3.737    3.538
 OKD           HAN2   H    H         0.000    -19.133   -5.445    3.029
 OKD           OBD    O    O2        0.000    -20.864   -4.391    2.619
 OKD           CAM    C    CH2       0.000    -21.576   -4.743    3.806
 OKD           HAM1   H    H         0.000    -21.309   -4.053    4.608
 OKD           HAM2   H    H         0.000    -21.310   -5.761    4.100
 OKD           CAL    C    CH2       0.000    -23.080   -4.663    3.542
 OKD           HAL1   H    H         0.000    -23.331   -3.670    3.164
 OKD           HAL2   H    H         0.000    -23.623   -4.845    4.472
 OKD           OBC    O    O2        0.000    -23.448   -5.649    2.575
 OKD           CAA    C    CH3       0.000    -24.840   -5.658    2.255
 OKD           HAA3   H    H         0.000    -25.033   -6.412    1.536
 OKD           HAA2   H    H         0.000    -25.403   -5.855    3.131
 OKD           HAA1   H    H         0.000    -25.119   -4.715    1.861
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
 OKD      OAB    n/a    CBH    START
 OKD      CBH    OAB    CAT    .
 OKD      OAF    CBH    .      .
 OKD      CAT    CBH    CAV    .
 OKD      HAT1   CAT    .      .
 OKD      HAT2   CAT    .      .
 OKD      CAV    CAT    CBN    .
 OKD      HAV1   CAV    .      .
 OKD      HAV2   CAV    .      .
 OKD      CBN    CAV    NBB    .
 OKD      HBN    CBN    .      .
 OKD      CBJ    CBN    OAH    .
 OKD      OAD    CBJ    .      .
 OKD      OAH    CBJ    .      .
 OKD      NBB    CBN    CBK    .
 OKD      HBB    NBB    .      .
 OKD      CBK    NBB    N      .
 OKD      OAE    CBK    .      .
 OKD      N      CBK    CA     .
 OKD      H      N      .      .
 OKD      CA     N      CB     .
 OKD      HA     CA     .      .
 OKD      C      CA     OXT    .
 OKD      O      C      .      .
 OKD      OXT    C      .      .
 OKD      CB     CA     CAJ    .
 OKD      HB1C   CB     .      .
 OKD      HB2C   CB     .      .
 OKD      CAJ    CB     CAK    .
 OKD      HAJ1   CAJ    .      .
 OKD      HAJ2   CAJ    .      .
 OKD      CAK    CAJ    CAW    .
 OKD      HAK1   CAK    .      .
 OKD      HAK2   CAK    .      .
 OKD      CAW    CAK    NBO    .
 OKD      HAW1   CAW    .      .
 OKD      HAW2   CAW    .      .
 OKD      NBO    CAW    NAZ    .
 OKD      CAI    NBO    HAI    .
 OKD      HAI    CAI    .      .
 OKD      NAZ    NBO    NAY    .
 OKD      NAY    NAZ    CBL    .
 OKD      CBL    NAY    CAX    .
 OKD      CAX    CBL    OBG    .
 OKD      HAX1   CAX    .      .
 OKD      HAX2   CAX    .      .
 OKD      OBG    CAX    CAS    .
 OKD      CAS    OBG    CAR    .
 OKD      HAS1   CAS    .      .
 OKD      HAS2   CAS    .      .
 OKD      CAR    CAS    OBF    .
 OKD      HAR1   CAR    .      .
 OKD      HAR2   CAR    .      .
 OKD      OBF    CAR    CAQ    .
 OKD      CAQ    OBF    CAP    .
 OKD      HAQ1   CAQ    .      .
 OKD      HAQ2   CAQ    .      .
 OKD      CAP    CAQ    OBE    .
 OKD      HAP1   CAP    .      .
 OKD      HAP2   CAP    .      .
 OKD      OBE    CAP    CAO    .
 OKD      CAO    OBE    CAN    .
 OKD      HAO1   CAO    .      .
 OKD      HAO2   CAO    .      .
 OKD      CAN    CAO    OBD    .
 OKD      HAN1   CAN    .      .
 OKD      HAN2   CAN    .      .
 OKD      OBD    CAN    CAM    .
 OKD      CAM    OBD    CAL    .
 OKD      HAM1   CAM    .      .
 OKD      HAM2   CAM    .      .
 OKD      CAL    CAM    OBC    .
 OKD      HAL1   CAL    .      .
 OKD      HAL2   CAL    .      .
 OKD      OBC    CAL    CAA    .
 OKD      CAA    OBC    HAA1   .
 OKD      HAA3   CAA    .      .
 OKD      HAA2   CAA    .      .
 OKD      HAA1   CAA    .      END
 OKD      CBL    CAI    .    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
 OKD      CAA    OBC       single      1.426    0.020
 OKD      OBC    CAL       single      1.426    0.020
 OKD      CAL    CAM       single      1.524    0.020
 OKD      CAM    OBD       single      1.426    0.020
 OKD      OBD    CAN       single      1.426    0.020
 OKD      CAN    CAO       single      1.524    0.020
 OKD      CAO    OBE       single      1.426    0.020
 OKD      OBE    CAP       single      1.426    0.020
 OKD      CAP    CAQ       single      1.524    0.020
 OKD      CAQ    OBF       single      1.426    0.020
 OKD      OBF    CAR       single      1.426    0.020
 OKD      CAR    CAS       single      1.524    0.020
 OKD      CAS    OBG       single      1.426    0.020
 OKD      OBG    CAX       single      1.426    0.020
 OKD      CAX    CBL       single      1.510    0.020
 OKD      CBL    CAI       double      1.387    0.020
 OKD      CBL    NAY       single      1.350    0.020
 OKD      CAI    NBO       single      1.337    0.020
 OKD      NAY    NAZ       double      1.404    0.020
 OKD      NAZ    NBO       single      1.402    0.020
 OKD      NBO    CAW       single      1.462    0.020
 OKD      CAW    CAK       single      1.524    0.020
 OKD      CAK    CAJ       single      1.524    0.020
 OKD      CAJ    CB        single      1.524    0.020
 OKD      CB     CA        single      1.524    0.020
 OKD      C      CA        single      1.500    0.020
 OKD      CA     N         single      1.450    0.020
 OKD      OXT    C         deloc       1.250    0.020
 OKD      O      C         deloc       1.250    0.020
 OKD      N      CBK       single      1.330    0.020
 OKD      OAE    CBK       double      1.220    0.020
 OKD      CBK    NBB       single      1.330    0.020
 OKD      NBB    CBN       single      1.450    0.020
 OKD      CBJ    CBN       single      1.500    0.020
 OKD      CBN    CAV       single      1.524    0.020
 OKD      OAH    CBJ       deloc       1.250    0.020
 OKD      OAD    CBJ       deloc       1.250    0.020
 OKD      CAV    CAT       single      1.524    0.020
 OKD      CAT    CBH       single      1.510    0.020
 OKD      OAF    CBH       deloc       1.250    0.020
 OKD      CBH    OAB       deloc       1.250    0.020
 OKD      HAA1   CAA       single      1.059    0.020
 OKD      HAA2   CAA       single      1.059    0.020
 OKD      HAA3   CAA       single      1.059    0.020
 OKD      HAL1   CAL       single      1.092    0.020
 OKD      HAL2   CAL       single      1.092    0.020
 OKD      HAM1   CAM       single      1.092    0.020
 OKD      HAM2   CAM       single      1.092    0.020
 OKD      HAN1   CAN       single      1.092    0.020
 OKD      HAN2   CAN       single      1.092    0.020
 OKD      HAO1   CAO       single      1.092    0.020
 OKD      HAO2   CAO       single      1.092    0.020
 OKD      HAP1   CAP       single      1.092    0.020
 OKD      HAP2   CAP       single      1.092    0.020
 OKD      HAQ1   CAQ       single      1.092    0.020
 OKD      HAQ2   CAQ       single      1.092    0.020
 OKD      HAR1   CAR       single      1.092    0.020
 OKD      HAR2   CAR       single      1.092    0.020
 OKD      HAS1   CAS       single      1.092    0.020
 OKD      HAS2   CAS       single      1.092    0.020
 OKD      HAX1   CAX       single      1.092    0.020
 OKD      HAX2   CAX       single      1.092    0.020
 OKD      HAI    CAI       single      1.083    0.020
 OKD      HAW1   CAW       single      1.092    0.020
 OKD      HAW2   CAW       single      1.092    0.020
 OKD      HAK1   CAK       single      1.092    0.020
 OKD      HAK2   CAK       single      1.092    0.020
 OKD      HAJ1   CAJ       single      1.092    0.020
 OKD      HAJ2   CAJ       single      1.092    0.020
 OKD      HB1C   CB        single      1.092    0.020
 OKD      HB2C   CB        single      1.092    0.020
 OKD      HA     CA        single      1.099    0.020
 OKD      H      N         single      1.010    0.020
 OKD      HBB    NBB       single      1.010    0.020
 OKD      HBN    CBN       single      1.099    0.020
 OKD      HAV1   CAV       single      1.092    0.020
 OKD      HAV2   CAV       single      1.092    0.020
 OKD      HAT1   CAT       single      1.092    0.020
 OKD      HAT2   CAT       single      1.092    0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
 OKD      OAB    CBH    OAF     123.000    3.000
 OKD      OAB    CBH    CAT     118.500    3.000
 OKD      OAF    CBH    CAT     118.500    3.000
 OKD      CBH    CAT    HAT1    109.470    3.000
 OKD      CBH    CAT    HAT2    109.470    3.000
 OKD      CBH    CAT    CAV     109.470    3.000
 OKD      HAT1   CAT    HAT2    107.900    3.000
 OKD      HAT1   CAT    CAV     109.470    3.000
 OKD      HAT2   CAT    CAV     109.470    3.000
 OKD      CAT    CAV    HAV1    109.470    3.000
 OKD      CAT    CAV    HAV2    109.470    3.000
 OKD      CAT    CAV    CBN     111.000    3.000
 OKD      HAV1   CAV    HAV2    107.900    3.000
 OKD      HAV1   CAV    CBN     109.470    3.000
 OKD      HAV2   CAV    CBN     109.470    3.000
 OKD      CAV    CBN    HBN     108.340    3.000
 OKD      CAV    CBN    CBJ     109.470    3.000
 OKD      CAV    CBN    NBB     110.000    3.000
 OKD      HBN    CBN    CBJ     108.810    3.000
 OKD      HBN    CBN    NBB     108.550    3.000
 OKD      CBJ    CBN    NBB     111.600    3.000
 OKD      CBN    CBJ    OAD     118.500    3.000
 OKD      CBN    CBJ    OAH     118.500    3.000
 OKD      OAD    CBJ    OAH     123.000    3.000
 OKD      CBN    NBB    HBB     118.500    3.000
 OKD      CBN    NBB    CBK     121.500    3.000
 OKD      HBB    NBB    CBK     120.000    3.000
 OKD      NBB    CBK    OAE     123.000    3.000
 OKD      NBB    CBK    N       120.000    3.000
 OKD      OAE    CBK    N       123.000    3.000
 OKD      CBK    N      H       120.000    3.000
 OKD      CBK    N      CA      121.500    3.000
 OKD      H      N      CA      118.500    3.000
 OKD      N      CA     HA      108.550    3.000
 OKD      N      CA     C       111.600    3.000
 OKD      N      CA     CB      110.000    3.000
 OKD      HA     CA     C       108.810    3.000
 OKD      HA     CA     CB      108.340    3.000
 OKD      C      CA     CB      109.470    3.000
 OKD      CA     C      O       118.500    3.000
 OKD      CA     C      OXT     118.500    3.000
 OKD      O      C      OXT     123.000    3.000
 OKD      CA     CB     HB1C    109.470    3.000
 OKD      CA     CB     HB2C    109.470    3.000
 OKD      CA     CB     CAJ     111.000    3.000
 OKD      HB1C   CB     HB2C    107.900    3.000
 OKD      HB1C   CB     CAJ     109.470    3.000
 OKD      HB2C   CB     CAJ     109.470    3.000
 OKD      CB     CAJ    HAJ1    109.470    3.000
 OKD      CB     CAJ    HAJ2    109.470    3.000
 OKD      CB     CAJ    CAK     111.000    3.000
 OKD      HAJ1   CAJ    HAJ2    107.900    3.000
 OKD      HAJ1   CAJ    CAK     109.470    3.000
 OKD      HAJ2   CAJ    CAK     109.470    3.000
 OKD      CAJ    CAK    HAK1    109.470    3.000
 OKD      CAJ    CAK    HAK2    109.470    3.000
 OKD      CAJ    CAK    CAW     111.000    3.000
 OKD      HAK1   CAK    HAK2    107.900    3.000
 OKD      HAK1   CAK    CAW     109.470    3.000
 OKD      HAK2   CAK    CAW     109.470    3.000
 OKD      CAK    CAW    HAW1    109.470    3.000
 OKD      CAK    CAW    HAW2    109.470    3.000
 OKD      CAK    CAW    NBO     109.500    3.000
 OKD      HAW1   CAW    HAW2    107.900    3.000
 OKD      HAW1   CAW    NBO     109.500    3.000
 OKD      HAW2   CAW    NBO     109.500    3.000
 OKD      CAW    NBO    CAI     126.000    3.000
 OKD      CAW    NBO    NAZ     108.000    3.000
 OKD      CAI    NBO    NAZ     108.000    3.000
 OKD      NBO    CAI    HAI     126.000    3.000
 OKD      NBO    CAI    CBL     108.000    3.000
 OKD      HAI    CAI    CBL     126.000    3.000
 OKD      NBO    NAZ    NAY     108.000    3.000
 OKD      NAZ    NAY    CBL     108.000    3.000
 OKD      NAY    CBL    CAX     126.000    3.000
 OKD      NAY    CBL    CAI     108.000    3.000
 OKD      CAX    CBL    CAI     126.000    3.000
 OKD      CBL    CAX    HAX1    109.470    3.000
 OKD      CBL    CAX    HAX2    109.470    3.000
 OKD      CBL    CAX    OBG     109.500    3.000
 OKD      HAX1   CAX    HAX2    107.900    3.000
 OKD      HAX1   CAX    OBG     109.470    3.000
 OKD      HAX2   CAX    OBG     109.470    3.000
 OKD      CAX    OBG    CAS     111.800    3.000
 OKD      OBG    CAS    HAS1    109.470    3.000
 OKD      OBG    CAS    HAS2    109.470    3.000
 OKD      OBG    CAS    CAR     109.470    3.000
 OKD      HAS1   CAS    HAS2    107.900    3.000
 OKD      HAS1   CAS    CAR     109.470    3.000
 OKD      HAS2   CAS    CAR     109.470    3.000
 OKD      CAS    CAR    HAR1    109.470    3.000
 OKD      CAS    CAR    HAR2    109.470    3.000
 OKD      CAS    CAR    OBF     109.470    3.000
 OKD      HAR1   CAR    HAR2    107.900    3.000
 OKD      HAR1   CAR    OBF     109.470    3.000
 OKD      HAR2   CAR    OBF     109.470    3.000
 OKD      CAR    OBF    CAQ     111.800    3.000
 OKD      OBF    CAQ    HAQ1    109.470    3.000
 OKD      OBF    CAQ    HAQ2    109.470    3.000
 OKD      OBF    CAQ    CAP     109.470    3.000
 OKD      HAQ1   CAQ    HAQ2    107.900    3.000
 OKD      HAQ1   CAQ    CAP     109.470    3.000
 OKD      HAQ2   CAQ    CAP     109.470    3.000
 OKD      CAQ    CAP    HAP1    109.470    3.000
 OKD      CAQ    CAP    HAP2    109.470    3.000
 OKD      CAQ    CAP    OBE     109.470    3.000
 OKD      HAP1   CAP    HAP2    107.900    3.000
 OKD      HAP1   CAP    OBE     109.470    3.000
 OKD      HAP2   CAP    OBE     109.470    3.000
 OKD      CAP    OBE    CAO     111.800    3.000
 OKD      OBE    CAO    HAO1    109.470    3.000
 OKD      OBE    CAO    HAO2    109.470    3.000
 OKD      OBE    CAO    CAN     109.470    3.000
 OKD      HAO1   CAO    HAO2    107.900    3.000
 OKD      HAO1   CAO    CAN     109.470    3.000
 OKD      HAO2   CAO    CAN     109.470    3.000
 OKD      CAO    CAN    HAN1    109.470    3.000
 OKD      CAO    CAN    HAN2    109.470    3.000
 OKD      CAO    CAN    OBD     109.470    3.000
 OKD      HAN1   CAN    HAN2    107.900    3.000
 OKD      HAN1   CAN    OBD     109.470    3.000
 OKD      HAN2   CAN    OBD     109.470    3.000
 OKD      CAN    OBD    CAM     111.800    3.000
 OKD      OBD    CAM    HAM1    109.470    3.000
 OKD      OBD    CAM    HAM2    109.470    3.000
 OKD      OBD    CAM    CAL     109.470    3.000
 OKD      HAM1   CAM    HAM2    107.900    3.000
 OKD      HAM1   CAM    CAL     109.470    3.000
 OKD      HAM2   CAM    CAL     109.470    3.000
 OKD      CAM    CAL    HAL1    109.470    3.000
 OKD      CAM    CAL    HAL2    109.470    3.000
 OKD      CAM    CAL    OBC     109.470    3.000
 OKD      HAL1   CAL    HAL2    107.900    3.000
 OKD      HAL1   CAL    OBC     109.470    3.000
 OKD      HAL2   CAL    OBC     109.470    3.000
 OKD      CAL    OBC    CAA     111.800    3.000
 OKD      OBC    CAA    HAA3    109.470    3.000
 OKD      OBC    CAA    HAA2    109.470    3.000
 OKD      OBC    CAA    HAA1    109.470    3.000
 OKD      HAA3   CAA    HAA2    109.470    3.000
 OKD      HAA3   CAA    HAA1    109.470    3.000
 OKD      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
 OKD      var_1    OAB    CBH    CAT    CAV      179.960   20.000   3
 OKD      var_2    CBH    CAT    CAV    CBN      179.979   20.000   3
 OKD      var_3    CAT    CAV    CBN    NBB      -64.969   20.000   3
 OKD      var_4    CAV    CBN    CBJ    OAH      119.991   20.000   3
 OKD      var_5    CAV    CBN    NBB    CBK      154.989   20.000   3
 OKD      CONST_1  CBN    NBB    CBK    N        180.000    0.000   0
 OKD      CONST_2  NBB    CBK    N      CA       180.000    0.000   0
 OKD      var_6    CBK    N      CA     CB       154.994   20.000   3
 OKD      var_7    N      CA     C      OXT      179.982   20.000   3
 OKD      var_8    N      CA     CB     CAJ      -65.039   20.000   3
 OKD      var_9    CA     CB     CAJ    CAK      179.965   20.000   3
 OKD      var_10   CB     CAJ    CAK    CAW      179.990   20.000   3
 OKD      var_11   CAJ    CAK    CAW    NBO     -179.956   20.000   3
 OKD      var_12   CAK    CAW    NBO    NAZ      -54.785   20.000   1
 OKD      CONST_3  CAW    NBO    CAI    CBL      180.000    0.000   0
 OKD      CONST_4  CAW    NBO    NAZ    NAY      180.000    0.000   0
 OKD      CONST_5  NBO    NAZ    NAY    CBL        0.000    0.000   0
 OKD      CONST_6  NAZ    NAY    CBL    CAX      180.000    0.000   0
 OKD      CONST_7  NAY    CBL    CAI    NBO        0.000    0.000   0
 OKD      var_13   NAY    CBL    CAX    OBG      179.673   20.000   2
 OKD      var_14   CBL    CAX    OBG    CAS     -179.990   20.000   1
 OKD      var_15   CAX    OBG    CAS    CAR     -179.987   20.000   1
 OKD      var_16   OBG    CAS    CAR    OBF       65.018   20.000   3
 OKD      var_17   CAS    CAR    OBF    CAQ      179.973   20.000   1
 OKD      var_18   CAR    OBF    CAQ    CAP      179.978   20.000   1
 OKD      var_19   OBF    CAQ    CAP    OBE       64.999   20.000   3
 OKD      var_20   CAQ    CAP    OBE    CAO     -179.994   20.000   1
 OKD      var_21   CAP    OBE    CAO    CAN     -179.985   20.000   1
 OKD      var_22   OBE    CAO    CAN    OBD       64.967   20.000   3
 OKD      var_23   CAO    CAN    OBD    CAM     -179.993   20.000   1
 OKD      var_24   CAN    OBD    CAM    CAL     -179.966   20.000   1
 OKD      var_25   OBD    CAM    CAL    OBC       64.998   20.000   3
 OKD      var_26   CAM    CAL    OBC    CAA     -179.993   20.000   1
 OKD      var_27   CAL    OBC    CAA    HAA1      60.012   20.000   1
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
 OKD      chir_01  CA     CB     C      N         negativ
 OKD      chir_02  CBN    NBB    CBJ    CAV       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
 OKD      plan-1    CBL       0.020
 OKD      plan-1    CAX       0.020
 OKD      plan-1    CAI       0.020
 OKD      plan-1    NAY       0.020
 OKD      plan-1    NAZ       0.020
 OKD      plan-1    NBO       0.020
 OKD      plan-1    HAI       0.020
 OKD      plan-1    CAW       0.020
 OKD      plan-2    C         0.020
 OKD      plan-2    CA        0.020
 OKD      plan-2    OXT       0.020
 OKD      plan-2    O         0.020
 OKD      plan-3    N         0.020
 OKD      plan-3    CA        0.020
 OKD      plan-3    CBK       0.020
 OKD      plan-3    H         0.020
 OKD      plan-4    CBK       0.020
 OKD      plan-4    N         0.020
 OKD      plan-4    OAE       0.020
 OKD      plan-4    NBB       0.020
 OKD      plan-4    H         0.020
 OKD      plan-4    HBB       0.020
 OKD      plan-5    NBB       0.020
 OKD      plan-5    CBK       0.020
 OKD      plan-5    CBN       0.020
 OKD      plan-5    HBB       0.020
 OKD      plan-6    CBJ       0.020
 OKD      plan-6    CBN       0.020
 OKD      plan-6    OAH       0.020
 OKD      plan-6    OAD       0.020
 OKD      plan-7    CBH       0.020
 OKD      plan-7    CAT       0.020
 OKD      plan-7    OAF       0.020
 OKD      plan-7    OAB       0.020
# ------------------------------------------------------
