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
ARK      ARK '"N-({(1S)-5-[4-({2-[2-({2,4-BIS[HYDR' non-polymer        79  46 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ARK
#
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
 ARK           OAF    O    O         0.000      0.000    0.000    0.000
 ARK           NBT    N    N         1.000      0.464    1.098   -0.250
 ARK           OAK    O    OH1       0.000      1.610    1.362    0.068
 ARK           HAK    H    H         0.000      1.969    0.588    0.496
 ARK           CBO    C    CR6       0.000     -0.285    2.015   -0.878
 ARK           CAN    C    CR16      0.000     -0.107    3.378   -0.605
 ARK           HAN    H    H         0.000      0.639    3.698    0.111
 ARK           CBM    C    CR6       0.000     -0.904    4.322   -1.266
 ARK           NBS    N    N         1.000     -0.746    5.629   -1.010
 ARK           OAE    O    O         0.000      0.090    5.995   -0.203
 ARK           OAJ    O    OH1       0.000     -1.438    6.450   -1.585
 ARK           HAJ    H    H         0.000     -1.175    7.311   -1.269
 ARK           CAL    C    CR16      0.000     -1.873    3.898   -2.202
 ARK           HAL    H    H         0.000     -2.486    4.631   -2.710
 ARK           CAM    C    CR16      0.000     -2.042    2.575   -2.471
 ARK           HAM    H    H         0.000     -2.788    2.264   -3.191
 ARK           CBN    C    CR6       0.000     -1.261    1.615   -1.826
 ARK           NBC    N    NH1       0.000     -1.442    0.282   -2.106
 ARK           HBC    H    H         0.000     -0.816   -0.406   -1.711
 ARK           CAR    C    CH2       0.000     -2.541   -0.142   -2.976
 ARK           HAR1   H    H         0.000     -2.426    0.322   -3.959
 ARK           HAR2   H    H         0.000     -3.492    0.168   -2.538
 ARK           CAS    C    CH2       0.000     -2.517   -1.664   -3.123
 ARK           HAS1   H    H         0.000     -1.534   -1.980   -3.479
 ARK           HAS2   H    H         0.000     -3.279   -1.972   -3.843
 ARK           OBF    O    O2        0.000     -2.784   -2.270   -1.856
 ARK           CAT    C    CH2       0.000     -2.785   -3.698   -1.883
 ARK           HAT1   H    H         0.000     -1.808   -4.056   -2.213
 ARK           HAT2   H    H         0.000     -3.553   -4.048   -2.576
 ARK           CAU    C    CH2       0.000     -3.080   -4.234   -0.480
 ARK           HAU1   H    H         0.000     -2.363   -3.814    0.228
 ARK           HAU2   H    H         0.000     -2.992   -5.323   -0.482
 ARK           OBG    O    O2        0.000     -4.405   -3.862   -0.097
 ARK           CAZ    C    CH2       0.000     -4.783   -4.316    1.204
 ARK           HAZ1   H    H         0.000     -4.102   -3.896    1.948
 ARK           HAZ2   H    H         0.000     -4.730   -5.406    1.239
 ARK           CBL    C    CR5       0.000     -6.192   -3.869    1.502
 ARK           CAO    C    CR15      0.000     -7.002   -3.151    0.691
 ARK           HAO    H    H         0.000     -6.769   -2.781   -0.300
 ARK           NBA    N    NRD5      0.000     -6.885   -4.103    2.623
 ARK           NBB    N    NRD5      0.000     -8.049   -3.565    2.511
 ARK           NBR    N    NR5       0.000     -8.163   -2.986    1.367
 ARK           CAY    C    CH2       0.000     -9.344   -2.267    0.884
 ARK           HAY1   H    H         0.000     -9.181   -1.954   -0.150
 ARK           HAY2   H    H         0.000     -9.514   -1.387    1.507
 ARK           CAQ    C    CH2       0.000    -10.565   -3.188    0.953
 ARK           HAQ1   H    H         0.000    -10.726   -3.500    1.987
 ARK           HAQ2   H    H         0.000    -10.392   -4.068    0.331
 ARK           CAP    C    CH2       0.000    -11.798   -2.437    0.447
 ARK           HAP1   H    H         0.000    -11.635   -2.125   -0.586
 ARK           HAP2   H    H         0.000    -11.968   -1.557    1.070
 ARK           CB     C    CH2       0.000    -13.019   -3.357    0.517
 ARK           HB1C   H    H         0.000    -13.180   -3.669    1.551
 ARK           HB2C   H    H         0.000    -12.846   -4.237   -0.105
 ARK           CA     C    CH1       0.000    -14.253   -2.607    0.011
 ARK           HA     H    H         0.000    -14.056   -2.215   -0.997
 ARK           C      C    C         0.000    -15.429   -3.548   -0.037
 ARK           O      O    OC       -0.500    -16.451   -3.306    0.642
 ARK           OXT    O    OC       -0.500    -15.383   -4.571   -0.755
 ARK           N      N    NH1       0.000    -14.553   -1.495    0.917
 ARK           H      H    H         0.000    -14.252   -1.534    1.880
 ARK           CBK    C    C         0.000    -15.230   -0.420    0.465
 ARK           OAD    O    O         0.000    -15.590   -0.374   -0.695
 ARK           NBE    N    NH1       0.000    -15.506    0.602    1.299
 ARK           HBE    H    H         0.000    -15.207    0.562    2.262
 ARK           CBQ    C    CH1       0.000    -16.241    1.770    0.807
 ARK           HBQ    H    H         0.000    -16.983    1.449    0.062
 ARK           CBJ    C    C         0.000    -15.278    2.738    0.171
 ARK           OAC    O    OC       -0.500    -14.057    2.470    0.131
 ARK           OAI    O    OC       -0.500    -15.700    3.810   -0.318
 ARK           CAX    C    CH2       0.000    -16.954    2.453    1.975
 ARK           HAX1   H    H         0.000    -17.428    3.372    1.625
 ARK           HAX2   H    H         0.000    -16.228    2.693    2.755
 ARK           CAV    C    CH2       0.000    -18.020    1.512    2.542
 ARK           HAV1   H    H         0.000    -17.545    0.593    2.891
 ARK           HAV2   H    H         0.000    -18.745    1.272    1.761
 ARK           CBH    C    C         0.000    -18.723    2.185    3.694
 ARK           OAA    O    OC       -0.500    -19.637    1.587    4.304
 ARK           OAG    O    OC       -0.500    -18.392    3.341    4.038
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
 ARK      OAF    n/a    NBT    START
 ARK      NBT    OAF    CBO    .
 ARK      OAK    NBT    HAK    .
 ARK      HAK    OAK    .      .
 ARK      CBO    NBT    CBN    .
 ARK      CAN    CBO    CBM    .
 ARK      HAN    CAN    .      .
 ARK      CBM    CAN    CAL    .
 ARK      NBS    CBM    OAJ    .
 ARK      OAE    NBS    .      .
 ARK      OAJ    NBS    HAJ    .
 ARK      HAJ    OAJ    .      .
 ARK      CAL    CBM    CAM    .
 ARK      HAL    CAL    .      .
 ARK      CAM    CAL    HAM    .
 ARK      HAM    CAM    .      .
 ARK      CBN    CBO    NBC    .
 ARK      NBC    CBN    CAR    .
 ARK      HBC    NBC    .      .
 ARK      CAR    NBC    CAS    .
 ARK      HAR1   CAR    .      .
 ARK      HAR2   CAR    .      .
 ARK      CAS    CAR    OBF    .
 ARK      HAS1   CAS    .      .
 ARK      HAS2   CAS    .      .
 ARK      OBF    CAS    CAT    .
 ARK      CAT    OBF    CAU    .
 ARK      HAT1   CAT    .      .
 ARK      HAT2   CAT    .      .
 ARK      CAU    CAT    OBG    .
 ARK      HAU1   CAU    .      .
 ARK      HAU2   CAU    .      .
 ARK      OBG    CAU    CAZ    .
 ARK      CAZ    OBG    CBL    .
 ARK      HAZ1   CAZ    .      .
 ARK      HAZ2   CAZ    .      .
 ARK      CBL    CAZ    NBA    .
 ARK      CAO    CBL    HAO    .
 ARK      HAO    CAO    .      .
 ARK      NBA    CBL    NBB    .
 ARK      NBB    NBA    NBR    .
 ARK      NBR    NBB    CAY    .
 ARK      CAY    NBR    CAQ    .
 ARK      HAY1   CAY    .      .
 ARK      HAY2   CAY    .      .
 ARK      CAQ    CAY    CAP    .
 ARK      HAQ1   CAQ    .      .
 ARK      HAQ2   CAQ    .      .
 ARK      CAP    CAQ    CB     .
 ARK      HAP1   CAP    .      .
 ARK      HAP2   CAP    .      .
 ARK      CB     CAP    CA     .
 ARK      HB1C   CB     .      .
 ARK      HB2C   CB     .      .
 ARK      CA     CB     N      .
 ARK      HA     CA     .      .
 ARK      C      CA     OXT    .
 ARK      O      C      .      .
 ARK      OXT    C      .      .
 ARK      N      CA     CBK    .
 ARK      H      N      .      .
 ARK      CBK    N      NBE    .
 ARK      OAD    CBK    .      .
 ARK      NBE    CBK    CBQ    .
 ARK      HBE    NBE    .      .
 ARK      CBQ    NBE    CAX    .
 ARK      HBQ    CBQ    .      .
 ARK      CBJ    CBQ    OAI    .
 ARK      OAC    CBJ    .      .
 ARK      OAI    CBJ    .      .
 ARK      CAX    CBQ    CAV    .
 ARK      HAX1   CAX    .      .
 ARK      HAX2   CAX    .      .
 ARK      CAV    CAX    CBH    .
 ARK      HAV1   CAV    .      .
 ARK      HAV2   CAV    .      .
 ARK      CBH    CAV    OAG    .
 ARK      OAA    CBH    .      .
 ARK      OAG    CBH    .      END
 ARK      NBR    CAO    .    ADD
 ARK      CBN    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
 ARK      OAA    CBH       deloc       1.250    0.020
 ARK      OAG    CBH       deloc       1.250    0.020
 ARK      CBH    CAV       single      1.510    0.020
 ARK      CAV    CAX       single      1.524    0.020
 ARK      CAX    CBQ       single      1.524    0.020
 ARK      CBJ    CBQ       single      1.500    0.020
 ARK      CBQ    NBE       single      1.450    0.020
 ARK      OAI    CBJ       deloc       1.250    0.020
 ARK      OAC    CBJ       deloc       1.250    0.020
 ARK      NBE    CBK       single      1.330    0.020
 ARK      OAD    CBK       double      1.220    0.020
 ARK      CBK    N         single      1.330    0.020
 ARK      N      CA        single      1.450    0.020
 ARK      C      CA        single      1.500    0.020
 ARK      CA     CB        single      1.524    0.020
 ARK      OXT    C         deloc       1.250    0.020
 ARK      O      C         deloc       1.250    0.020
 ARK      CB     CAP       single      1.524    0.020
 ARK      CAP    CAQ       single      1.524    0.020
 ARK      CAQ    CAY       single      1.524    0.020
 ARK      CAY    NBR       single      1.462    0.020
 ARK      NBR    CAO       single      1.337    0.020
 ARK      NBR    NBB       single      1.402    0.020
 ARK      CAO    CBL       double      1.387    0.020
 ARK      NBB    NBA       double      1.404    0.020
 ARK      NBA    CBL       single      1.350    0.020
 ARK      CBL    CAZ       single      1.510    0.020
 ARK      CAZ    OBG       single      1.426    0.020
 ARK      OBG    CAU       single      1.426    0.020
 ARK      CAU    CAT       single      1.524    0.020
 ARK      CAT    OBF       single      1.426    0.020
 ARK      OBF    CAS       single      1.426    0.020
 ARK      CAS    CAR       single      1.524    0.020
 ARK      CAR    NBC       single      1.450    0.020
 ARK      NBC    CBN       single      1.350    0.020
 ARK      CBN    CAM       single      1.390    0.020
 ARK      CBN    CBO       double      1.487    0.020
 ARK      CAM    CAL       double      1.390    0.020
 ARK      CAL    CBM       single      1.390    0.020
 ARK      NBS    CBM       single      1.400    0.020
 ARK      CBM    CAN       double      1.390    0.020
 ARK      OAJ    NBS       single      1.392    0.020
 ARK      OAE    NBS       double      1.220    0.020
 ARK      CAN    CBO       single      1.390    0.020
 ARK      CBO    NBT       single      1.400    0.020
 ARK      OAK    NBT       single      1.392    0.020
 ARK      NBT    OAF       double      1.220    0.020
 ARK      HAV1   CAV       single      1.092    0.020
 ARK      HAV2   CAV       single      1.092    0.020
 ARK      HAX1   CAX       single      1.092    0.020
 ARK      HAX2   CAX       single      1.092    0.020
 ARK      HBQ    CBQ       single      1.099    0.020
 ARK      HBE    NBE       single      1.010    0.020
 ARK      H      N         single      1.010    0.020
 ARK      HA     CA        single      1.099    0.020
 ARK      HB1C   CB        single      1.092    0.020
 ARK      HB2C   CB        single      1.092    0.020
 ARK      HAP1   CAP       single      1.092    0.020
 ARK      HAP2   CAP       single      1.092    0.020
 ARK      HAQ1   CAQ       single      1.092    0.020
 ARK      HAQ2   CAQ       single      1.092    0.020
 ARK      HAY1   CAY       single      1.092    0.020
 ARK      HAY2   CAY       single      1.092    0.020
 ARK      HAO    CAO       single      1.083    0.020
 ARK      HAZ1   CAZ       single      1.092    0.020
 ARK      HAZ2   CAZ       single      1.092    0.020
 ARK      HAU1   CAU       single      1.092    0.020
 ARK      HAU2   CAU       single      1.092    0.020
 ARK      HAT1   CAT       single      1.092    0.020
 ARK      HAT2   CAT       single      1.092    0.020
 ARK      HAS1   CAS       single      1.092    0.020
 ARK      HAS2   CAS       single      1.092    0.020
 ARK      HAR1   CAR       single      1.092    0.020
 ARK      HAR2   CAR       single      1.092    0.020
 ARK      HBC    NBC       single      1.010    0.020
 ARK      HAM    CAM       single      1.083    0.020
 ARK      HAL    CAL       single      1.083    0.020
 ARK      HAN    CAN       single      1.083    0.020
 ARK      HAJ    OAJ       single      0.967    0.020
 ARK      HAK    OAK       single      0.967    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
 ARK      OAF    NBT    OAK     120.000    3.000
 ARK      OAF    NBT    CBO     120.000    3.000
 ARK      OAK    NBT    CBO     120.000    3.000
 ARK      NBT    OAK    HAK     109.470    3.000
 ARK      NBT    CBO    CAN     120.000    3.000
 ARK      NBT    CBO    CBN     120.000    3.000
 ARK      CAN    CBO    CBN     120.000    3.000
 ARK      CBO    CAN    HAN     120.000    3.000
 ARK      CBO    CAN    CBM     120.000    3.000
 ARK      HAN    CAN    CBM     120.000    3.000
 ARK      CAN    CBM    NBS     120.000    3.000
 ARK      CAN    CBM    CAL     120.000    3.000
 ARK      NBS    CBM    CAL     120.000    3.000
 ARK      CBM    NBS    OAE     120.000    3.000
 ARK      CBM    NBS    OAJ     120.000    3.000
 ARK      OAE    NBS    OAJ     120.000    3.000
 ARK      NBS    OAJ    HAJ     109.470    3.000
 ARK      CBM    CAL    HAL     120.000    3.000
 ARK      CBM    CAL    CAM     120.000    3.000
 ARK      HAL    CAL    CAM     120.000    3.000
 ARK      CAL    CAM    HAM     120.000    3.000
 ARK      CAL    CAM    CBN     120.000    3.000
 ARK      HAM    CAM    CBN     120.000    3.000
 ARK      CBO    CBN    NBC     120.000    3.000
 ARK      CBO    CBN    CAM     120.000    3.000
 ARK      NBC    CBN    CAM     120.000    3.000
 ARK      CBN    NBC    HBC     120.000    3.000
 ARK      CBN    NBC    CAR     120.000    3.000
 ARK      HBC    NBC    CAR     118.500    3.000
 ARK      NBC    CAR    HAR1    109.470    3.000
 ARK      NBC    CAR    HAR2    109.470    3.000
 ARK      NBC    CAR    CAS     112.000    3.000
 ARK      HAR1   CAR    HAR2    107.900    3.000
 ARK      HAR1   CAR    CAS     109.470    3.000
 ARK      HAR2   CAR    CAS     109.470    3.000
 ARK      CAR    CAS    HAS1    109.470    3.000
 ARK      CAR    CAS    HAS2    109.470    3.000
 ARK      CAR    CAS    OBF     109.470    3.000
 ARK      HAS1   CAS    HAS2    107.900    3.000
 ARK      HAS1   CAS    OBF     109.470    3.000
 ARK      HAS2   CAS    OBF     109.470    3.000
 ARK      CAS    OBF    CAT     111.800    3.000
 ARK      OBF    CAT    HAT1    109.470    3.000
 ARK      OBF    CAT    HAT2    109.470    3.000
 ARK      OBF    CAT    CAU     109.470    3.000
 ARK      HAT1   CAT    HAT2    107.900    3.000
 ARK      HAT1   CAT    CAU     109.470    3.000
 ARK      HAT2   CAT    CAU     109.470    3.000
 ARK      CAT    CAU    HAU1    109.470    3.000
 ARK      CAT    CAU    HAU2    109.470    3.000
 ARK      CAT    CAU    OBG     109.470    3.000
 ARK      HAU1   CAU    HAU2    107.900    3.000
 ARK      HAU1   CAU    OBG     109.470    3.000
 ARK      HAU2   CAU    OBG     109.470    3.000
 ARK      CAU    OBG    CAZ     111.800    3.000
 ARK      OBG    CAZ    HAZ1    109.470    3.000
 ARK      OBG    CAZ    HAZ2    109.470    3.000
 ARK      OBG    CAZ    CBL     109.500    3.000
 ARK      HAZ1   CAZ    HAZ2    107.900    3.000
 ARK      HAZ1   CAZ    CBL     109.470    3.000
 ARK      HAZ2   CAZ    CBL     109.470    3.000
 ARK      CAZ    CBL    CAO     126.000    3.000
 ARK      CAZ    CBL    NBA     126.000    3.000
 ARK      CAO    CBL    NBA     108.000    3.000
 ARK      CBL    CAO    HAO     126.000    3.000
 ARK      CBL    CAO    NBR     108.000    3.000
 ARK      HAO    CAO    NBR     126.000    3.000
 ARK      CBL    NBA    NBB     108.000    3.000
 ARK      NBA    NBB    NBR     108.000    3.000
 ARK      NBB    NBR    CAY     108.000    3.000
 ARK      NBB    NBR    CAO     108.000    3.000
 ARK      CAY    NBR    CAO     126.000    3.000
 ARK      NBR    CAY    HAY1    109.500    3.000
 ARK      NBR    CAY    HAY2    109.500    3.000
 ARK      NBR    CAY    CAQ     109.500    3.000
 ARK      HAY1   CAY    HAY2    107.900    3.000
 ARK      HAY1   CAY    CAQ     109.470    3.000
 ARK      HAY2   CAY    CAQ     109.470    3.000
 ARK      CAY    CAQ    HAQ1    109.470    3.000
 ARK      CAY    CAQ    HAQ2    109.470    3.000
 ARK      CAY    CAQ    CAP     111.000    3.000
 ARK      HAQ1   CAQ    HAQ2    107.900    3.000
 ARK      HAQ1   CAQ    CAP     109.470    3.000
 ARK      HAQ2   CAQ    CAP     109.470    3.000
 ARK      CAQ    CAP    HAP1    109.470    3.000
 ARK      CAQ    CAP    HAP2    109.470    3.000
 ARK      CAQ    CAP    CB      111.000    3.000
 ARK      HAP1   CAP    HAP2    107.900    3.000
 ARK      HAP1   CAP    CB      109.470    3.000
 ARK      HAP2   CAP    CB      109.470    3.000
 ARK      CAP    CB     HB1C    109.470    3.000
 ARK      CAP    CB     HB2C    109.470    3.000
 ARK      CAP    CB     CA      111.000    3.000
 ARK      HB1C   CB     HB2C    107.900    3.000
 ARK      HB1C   CB     CA      109.470    3.000
 ARK      HB2C   CB     CA      109.470    3.000
 ARK      CB     CA     HA      108.340    3.000
 ARK      CB     CA     C       109.470    3.000
 ARK      CB     CA     N       110.000    3.000
 ARK      HA     CA     C       108.810    3.000
 ARK      HA     CA     N       108.550    3.000
 ARK      C      CA     N       111.600    3.000
 ARK      CA     C      O       118.500    3.000
 ARK      CA     C      OXT     118.500    3.000
 ARK      O      C      OXT     123.000    3.000
 ARK      CA     N      H       118.500    3.000
 ARK      CA     N      CBK     121.500    3.000
 ARK      H      N      CBK     120.000    3.000
 ARK      N      CBK    OAD     123.000    3.000
 ARK      N      CBK    NBE     120.000    3.000
 ARK      OAD    CBK    NBE     123.000    3.000
 ARK      CBK    NBE    HBE     120.000    3.000
 ARK      CBK    NBE    CBQ     121.500    3.000
 ARK      HBE    NBE    CBQ     118.500    3.000
 ARK      NBE    CBQ    HBQ     108.550    3.000
 ARK      NBE    CBQ    CBJ     111.600    3.000
 ARK      NBE    CBQ    CAX     110.000    3.000
 ARK      HBQ    CBQ    CBJ     108.810    3.000
 ARK      HBQ    CBQ    CAX     108.340    3.000
 ARK      CBJ    CBQ    CAX     109.470    3.000
 ARK      CBQ    CBJ    OAC     118.500    3.000
 ARK      CBQ    CBJ    OAI     118.500    3.000
 ARK      OAC    CBJ    OAI     123.000    3.000
 ARK      CBQ    CAX    HAX1    109.470    3.000
 ARK      CBQ    CAX    HAX2    109.470    3.000
 ARK      CBQ    CAX    CAV     111.000    3.000
 ARK      HAX1   CAX    HAX2    107.900    3.000
 ARK      HAX1   CAX    CAV     109.470    3.000
 ARK      HAX2   CAX    CAV     109.470    3.000
 ARK      CAX    CAV    HAV1    109.470    3.000
 ARK      CAX    CAV    HAV2    109.470    3.000
 ARK      CAX    CAV    CBH     109.470    3.000
 ARK      HAV1   CAV    HAV2    107.900    3.000
 ARK      HAV1   CAV    CBH     109.470    3.000
 ARK      HAV2   CAV    CBH     109.470    3.000
 ARK      CAV    CBH    OAA     118.500    3.000
 ARK      CAV    CBH    OAG     118.500    3.000
 ARK      OAA    CBH    OAG     123.000    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
 ARK      var_1    OAF    NBT    OAK    HAK       -0.058   20.000   1
 ARK      var_2    OAF    NBT    CBO    CBN      -32.420   20.000   1
 ARK      CONST_1  NBT    CBO    CAN    CBM      180.000    0.000   0
 ARK      CONST_2  CBO    CAN    CBM    CAL        0.000    0.000   0
 ARK      var_3    CAN    CBM    NBS    OAJ     -179.990   20.000   1
 ARK      var_4    CBM    NBS    OAJ    HAJ     -179.972   20.000   1
 ARK      CONST_3  CAN    CBM    CAL    CAM        0.000    0.000   0
 ARK      CONST_4  CBM    CAL    CAM    CBN        0.000    0.000   0
 ARK      CONST_5  NBT    CBO    CBN    NBC        0.000    0.000   0
 ARK      CONST_6  CBO    CBN    CAM    CAL        0.000    0.000   0
 ARK      var_5    CBO    CBN    NBC    CAR      173.566   20.000   1
 ARK      var_6    CBN    NBC    CAR    CAS     -179.993   20.000   3
 ARK      var_7    NBC    CAR    CAS    OBF       65.037   20.000   3
 ARK      var_8    CAR    CAS    OBF    CAT      179.991   20.000   1
 ARK      var_9    CAS    OBF    CAT    CAU      179.988   20.000   1
 ARK      var_10   OBF    CAT    CAU    OBG       64.971   20.000   3
 ARK      var_11   CAT    CAU    OBG    CAZ     -179.970   20.000   1
 ARK      var_12   CAU    OBG    CAZ    CBL     -179.970   20.000   1
 ARK      var_13   OBG    CAZ    CBL    NBA     -179.849   20.000   2
 ARK      CONST_7  CAZ    CBL    CAO    NBR      180.000    0.000   0
 ARK      CONST_8  CAZ    CBL    NBA    NBB      180.000    0.000   0
 ARK      CONST_9  CBL    NBA    NBB    NBR        0.000    0.000   0
 ARK      CONST_10 NBA    NBB    NBR    CAY      180.000    0.000   0
 ARK      CONST_11 NBB    NBR    CAO    CBL        0.000    0.000   0
 ARK      var_14   NBB    NBR    CAY    CAQ      -55.299   20.000   1
 ARK      var_15   NBR    CAY    CAQ    CAP     -179.955   20.000   3
 ARK      var_16   CAY    CAQ    CAP    CB      -179.987   20.000   3
 ARK      var_17   CAQ    CAP    CB     CA       179.988   20.000   3
 ARK      var_18   CAP    CB     CA     N        -65.003   20.000   3
 ARK      var_19   CB     CA     C      OXT      -60.021   20.000   3
 ARK      var_20   CB     CA     N      CBK      155.019   20.000   3
 ARK      CONST_12 CA     N      CBK    NBE      180.000    0.000   0
 ARK      CONST_13 N      CBK    NBE    CBQ      180.000    0.000   0
 ARK      var_21   CBK    NBE    CBQ    CAX      155.014   20.000   3
 ARK      var_22   NBE    CBQ    CBJ    OAI      179.979   20.000   3
 ARK      var_23   NBE    CBQ    CAX    CAV      -64.978   20.000   3
 ARK      var_24   CBQ    CAX    CAV    CBH      179.993   20.000   3
 ARK      var_25   CAX    CAV    CBH    OAG        0.000   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
 ARK      chir_01  CBQ    CAX    CBJ    NBE       negativ
 ARK      chir_02  CA     N      C      CB        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
 ARK      plan-1    CBH       0.020
 ARK      plan-1    OAA       0.020
 ARK      plan-1    OAG       0.020
 ARK      plan-1    CAV       0.020
 ARK      plan-2    CBJ       0.020
 ARK      plan-2    CBQ       0.020
 ARK      plan-2    OAI       0.020
 ARK      plan-2    OAC       0.020
 ARK      plan-3    NBE       0.020
 ARK      plan-3    CBQ       0.020
 ARK      plan-3    CBK       0.020
 ARK      plan-3    HBE       0.020
 ARK      plan-4    CBK       0.020
 ARK      plan-4    NBE       0.020
 ARK      plan-4    OAD       0.020
 ARK      plan-4    N         0.020
 ARK      plan-4    HBE       0.020
 ARK      plan-4    H         0.020
 ARK      plan-5    N         0.020
 ARK      plan-5    CBK       0.020
 ARK      plan-5    CA        0.020
 ARK      plan-5    H         0.020
 ARK      plan-6    C         0.020
 ARK      plan-6    CA        0.020
 ARK      plan-6    OXT       0.020
 ARK      plan-6    O         0.020
 ARK      plan-7    NBR       0.020
 ARK      plan-7    CAY       0.020
 ARK      plan-7    CAO       0.020
 ARK      plan-7    NBB       0.020
 ARK      plan-7    NBA       0.020
 ARK      plan-7    CBL       0.020
 ARK      plan-7    HAO       0.020
 ARK      plan-7    CAZ       0.020
 ARK      plan-8    NBC       0.020
 ARK      plan-8    CAR       0.020
 ARK      plan-8    CBN       0.020
 ARK      plan-8    HBC       0.020
 ARK      plan-9    CBN       0.020
 ARK      plan-9    NBC       0.020
 ARK      plan-9    CAM       0.020
 ARK      plan-9    CBO       0.020
 ARK      plan-9    CAL       0.020
 ARK      plan-9    CBM       0.020
 ARK      plan-9    CAN       0.020
 ARK      plan-9    HAM       0.020
 ARK      plan-9    HAL       0.020
 ARK      plan-9    NBS       0.020
 ARK      plan-9    HAN       0.020
 ARK      plan-9    NBT       0.020
 ARK      plan-9    HBC       0.020
 ARK      plan-10   NBS       0.020
 ARK      plan-10   CBM       0.020
 ARK      plan-10   OAJ       0.020
 ARK      plan-10   OAE       0.020
 ARK      plan-11   NBT       0.020
 ARK      plan-11   CBO       0.020
 ARK      plan-11   OAK       0.020
 ARK      plan-11   OAF       0.020
# ------------------------------------------------------
