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
DSK      DSK '"(2R,3S,4S)-1-[(2S,3S,4R,5R,6S)-2,3,' non-polymer        48  22 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DSK
#
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
 DSK           OAI    O    OH1       0.000      0.000    0.000    0.000
 DSK           HOAI   H    H         0.000      0.734   -0.630   -0.011
 DSK           CAT    C    CH1       0.000     -0.724   -0.093   -1.228
 DSK           HAT    H    H         0.000     -0.033    0.090   -2.062
 DSK           CAP    C    CH1       0.000     -1.296   -1.505   -1.359
 DSK           HAP    H    H         0.000     -0.644   -2.217   -0.833
 DSK           OAE    O    OH1       0.000     -1.376   -1.863   -2.741
 DSK           HOAE   H    H         0.000     -1.724   -2.762   -2.821
 DSK           CAU    C    CH1       0.000     -1.818    0.988   -1.244
 DSK           HAU    H    H         0.000     -1.777    1.586   -0.323
 DSK           CAK    C    CH2       0.000     -1.657    1.888   -2.470
 DSK           HAK    H    H         0.000     -2.401    2.686   -2.434
 DSK           HAKA   H    H         0.000     -1.803    1.296   -3.376
 DSK           OAB    O    OH1       0.000     -0.346    2.456   -2.476
 DSK           HOAB   H    H         0.000     -0.246    3.025   -3.251
 DSK           SAV    S    ST        1.000     -3.398    0.061   -1.334
 DSK           HSAV   H    H         0.000     -3.986    0.050   -2.419
 DSK           CAM    C    CH2       0.000     -2.714   -1.536   -0.730
 DSK           HAMA   H    H         0.000     -3.257   -2.409   -1.096
 DSK           HAM    H    H         0.000     -2.630   -1.590    0.358
 DSK           CAL    C    CH2       0.000     -4.316    0.681    0.102
 DSK           HAL    H    H         0.000     -4.572    1.731   -0.055
 DSK           HALA   H    H         0.000     -3.696    0.589    0.997
 DSK           CAO    C    CH1       0.000     -5.596   -0.137    0.280
 DSK           HAO    H    H         0.000     -6.176   -0.117   -0.653
 DSK           OAD    O    OH1       0.000     -5.258   -1.488    0.602
 DSK           HOAD   H    H         0.000     -4.748   -1.505    1.423
 DSK           CAR    C    CH1       0.000     -6.432    0.462    1.413
 DSK           HAR    H    H         0.000     -5.852    0.443    2.346
 DSK           OAG    O    OH1       0.000     -6.771    1.814    1.091
 DSK           HOAG   H    H         0.000     -7.282    1.831    0.271
 DSK           CAS    C    CH1       0.000     -7.712   -0.356    1.592
 DSK           HAS    H    H         0.000     -7.455   -1.370    1.926
 DSK           OAH    O    OH1       0.000     -8.409   -0.427    0.346
 DSK           HOAH   H    H         0.000     -8.635    0.466    0.052
 DSK           CAQ    C    CH1       0.000     -8.604    0.315    2.637
 DSK           HAQ    H    H         0.000     -8.861    1.330    2.303
 DSK           OAF    O    OH1       0.000     -7.908    0.386    3.882
 DSK           HOAF   H    H         0.000     -7.683   -0.507    4.176
 DSK           CAN    C    CH1       0.000     -9.886   -0.503    2.816
 DSK           HAN    H    H         0.000    -10.466   -0.483    1.883
 DSK           OAC    O    OH1       0.000     -9.547   -1.853    3.137
 DSK           HOAC   H    H         0.000     -9.036   -1.870    3.958
 DSK           CAJ    C    CH2       0.000    -10.721    0.097    3.948
 DSK           HAJ    H    H         0.000    -10.903    1.154    3.744
 DSK           HAJA   H    H         0.000    -10.179   -0.002    4.891
 DSK           OAA    O    OH1       0.000    -11.968   -0.595    4.037
 DSK           HOAA   H    H         0.000    -12.496   -0.215    4.753
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
 DSK      OAI    n/a    CAT    START
 DSK      HOAI   OAI    .      .
 DSK      CAT    OAI    CAU    .
 DSK      HAT    CAT    .      .
 DSK      CAP    CAT    OAE    .
 DSK      HAP    CAP    .      .
 DSK      OAE    CAP    HOAE   .
 DSK      HOAE   OAE    .      .
 DSK      CAU    CAT    SAV    .
 DSK      HAU    CAU    .      .
 DSK      CAK    CAU    OAB    .
 DSK      HAK    CAK    .      .
 DSK      HAKA   CAK    .      .
 DSK      OAB    CAK    HOAB   .
 DSK      HOAB   OAB    .      .
 DSK      SAV    CAU    CAL    .
 DSK      HSAV   SAV    .      .
 DSK      CAM    SAV    HAM    .
 DSK      HAMA   CAM    .      .
 DSK      HAM    CAM    .      .
 DSK      CAL    SAV    CAO    .
 DSK      HAL    CAL    .      .
 DSK      HALA   CAL    .      .
 DSK      CAO    CAL    CAR    .
 DSK      HAO    CAO    .      .
 DSK      OAD    CAO    HOAD   .
 DSK      HOAD   OAD    .      .
 DSK      CAR    CAO    CAS    .
 DSK      HAR    CAR    .      .
 DSK      OAG    CAR    HOAG   .
 DSK      HOAG   OAG    .      .
 DSK      CAS    CAR    CAQ    .
 DSK      HAS    CAS    .      .
 DSK      OAH    CAS    HOAH   .
 DSK      HOAH   OAH    .      .
 DSK      CAQ    CAS    CAN    .
 DSK      HAQ    CAQ    .      .
 DSK      OAF    CAQ    HOAF   .
 DSK      HOAF   OAF    .      .
 DSK      CAN    CAQ    CAJ    .
 DSK      HAN    CAN    .      .
 DSK      OAC    CAN    HOAC   .
 DSK      HOAC   OAC    .      .
 DSK      CAJ    CAN    OAA    .
 DSK      HAJ    CAJ    .      .
 DSK      HAJA   CAJ    .      .
 DSK      OAA    CAJ    HOAA   .
 DSK      HOAA   OAA    .      END
 DSK      CAM    CAP    .    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
 DSK      OAA    CAJ       single      1.432    0.020
 DSK      OAB    CAK       single      1.432    0.020
 DSK      OAC    CAN       single      1.432    0.020
 DSK      OAD    CAO       single      1.432    0.020
 DSK      OAE    CAP       single      1.432    0.020
 DSK      OAF    CAQ       single      1.432    0.020
 DSK      OAG    CAR       single      1.432    0.020
 DSK      OAH    CAS       single      1.432    0.020
 DSK      CAT    OAI       single      1.432    0.020
 DSK      CAJ    CAN       single      1.524    0.020
 DSK      CAK    CAU       single      1.524    0.020
 DSK      CAO    CAL       single      1.524    0.020
 DSK      CAL    SAV       single      1.662    0.020
 DSK      CAM    CAP       single      1.524    0.020
 DSK      CAM    SAV       single      1.662    0.020
 DSK      CAN    CAQ       single      1.524    0.020
 DSK      CAR    CAO       single      1.524    0.020
 DSK      CAP    CAT       single      1.524    0.020
 DSK      CAQ    CAS       single      1.524    0.020
 DSK      CAS    CAR       single      1.524    0.020
 DSK      CAU    CAT       single      1.524    0.020
 DSK      SAV    CAU       single      1.665    0.020
 DSK      HOAA   OAA       single      0.967    0.020
 DSK      HOAB   OAB       single      0.967    0.020
 DSK      HOAC   OAC       single      0.967    0.020
 DSK      HOAD   OAD       single      0.967    0.020
 DSK      HOAE   OAE       single      0.967    0.020
 DSK      HOAF   OAF       single      0.967    0.020
 DSK      HOAG   OAG       single      0.967    0.020
 DSK      HOAH   OAH       single      0.967    0.020
 DSK      HOAI   OAI       single      0.967    0.020
 DSK      HAJ    CAJ       single      1.092    0.020
 DSK      HAJA   CAJ       single      1.092    0.020
 DSK      HAK    CAK       single      1.092    0.020
 DSK      HAKA   CAK       single      1.092    0.020
 DSK      HAL    CAL       single      1.092    0.020
 DSK      HALA   CAL       single      1.092    0.020
 DSK      HAM    CAM       single      1.092    0.020
 DSK      HAMA   CAM       single      1.092    0.020
 DSK      HAN    CAN       single      1.099    0.020
 DSK      HAO    CAO       single      1.099    0.020
 DSK      HAP    CAP       single      1.099    0.020
 DSK      HAQ    CAQ       single      1.099    0.020
 DSK      HAR    CAR       single      1.099    0.020
 DSK      HAS    CAS       single      1.099    0.020
 DSK      HAT    CAT       single      1.099    0.020
 DSK      HAU    CAU       single      1.099    0.020
 DSK      HSAV   SAV       single      1.234    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
 DSK      HOAI   OAI    CAT     109.470    3.000
 DSK      OAI    CAT    HAT     109.470    3.000
 DSK      OAI    CAT    CAP     109.470    3.000
 DSK      OAI    CAT    CAU     109.470    3.000
 DSK      HAT    CAT    CAP     108.340    3.000
 DSK      HAT    CAT    CAU     108.340    3.000
 DSK      CAP    CAT    CAU     111.000    3.000
 DSK      CAT    CAP    HAP     108.340    3.000
 DSK      CAT    CAP    OAE     109.470    3.000
 DSK      CAT    CAP    CAM     111.000    3.000
 DSK      HAP    CAP    OAE     109.470    3.000
 DSK      HAP    CAP    CAM     108.340    3.000
 DSK      OAE    CAP    CAM     109.470    3.000
 DSK      CAP    OAE    HOAE    109.470    3.000
 DSK      CAT    CAU    HAU     108.340    3.000
 DSK      CAT    CAU    CAK     111.000    3.000
 DSK      CAT    CAU    SAV     109.500    3.000
 DSK      HAU    CAU    CAK     108.340    3.000
 DSK      HAU    CAU    SAV     109.500    3.000
 DSK      CAK    CAU    SAV     109.500    3.000
 DSK      CAU    CAK    HAK     109.470    3.000
 DSK      CAU    CAK    HAKA    109.470    3.000
 DSK      CAU    CAK    OAB     109.470    3.000
 DSK      HAK    CAK    HAKA    107.900    3.000
 DSK      HAK    CAK    OAB     109.470    3.000
 DSK      HAKA   CAK    OAB     109.470    3.000
 DSK      CAK    OAB    HOAB    109.470    3.000
 DSK      CAU    SAV    HSAV    109.500    3.000
 DSK      CAU    SAV    CAM     109.500    3.000
 DSK      CAU    SAV    CAL     109.500    3.000
 DSK      HSAV   SAV    CAM     109.500    3.000
 DSK      HSAV   SAV    CAL     109.500    3.000
 DSK      CAM    SAV    CAL     109.500    3.000
 DSK      SAV    CAM    HAMA    109.500    3.000
 DSK      SAV    CAM    HAM     109.500    3.000
 DSK      SAV    CAM    CAP     109.500    3.000
 DSK      HAMA   CAM    HAM     107.900    3.000
 DSK      HAMA   CAM    CAP     109.470    3.000
 DSK      HAM    CAM    CAP     109.470    3.000
 DSK      SAV    CAL    HAL     109.500    3.000
 DSK      SAV    CAL    HALA    109.500    3.000
 DSK      SAV    CAL    CAO     109.500    3.000
 DSK      HAL    CAL    HALA    107.900    3.000
 DSK      HAL    CAL    CAO     109.470    3.000
 DSK      HALA   CAL    CAO     109.470    3.000
 DSK      CAL    CAO    HAO     108.340    3.000
 DSK      CAL    CAO    OAD     109.470    3.000
 DSK      CAL    CAO    CAR     111.000    3.000
 DSK      HAO    CAO    OAD     109.470    3.000
 DSK      HAO    CAO    CAR     108.340    3.000
 DSK      OAD    CAO    CAR     109.470    3.000
 DSK      CAO    OAD    HOAD    109.470    3.000
 DSK      CAO    CAR    HAR     108.340    3.000
 DSK      CAO    CAR    OAG     109.470    3.000
 DSK      CAO    CAR    CAS     111.000    3.000
 DSK      HAR    CAR    OAG     109.470    3.000
 DSK      HAR    CAR    CAS     108.340    3.000
 DSK      OAG    CAR    CAS     109.470    3.000
 DSK      CAR    OAG    HOAG    109.470    3.000
 DSK      CAR    CAS    HAS     108.340    3.000
 DSK      CAR    CAS    OAH     109.470    3.000
 DSK      CAR    CAS    CAQ     111.000    3.000
 DSK      HAS    CAS    OAH     109.470    3.000
 DSK      HAS    CAS    CAQ     108.340    3.000
 DSK      OAH    CAS    CAQ     109.470    3.000
 DSK      CAS    OAH    HOAH    109.470    3.000
 DSK      CAS    CAQ    HAQ     108.340    3.000
 DSK      CAS    CAQ    OAF     109.470    3.000
 DSK      CAS    CAQ    CAN     111.000    3.000
 DSK      HAQ    CAQ    OAF     109.470    3.000
 DSK      HAQ    CAQ    CAN     108.340    3.000
 DSK      OAF    CAQ    CAN     109.470    3.000
 DSK      CAQ    OAF    HOAF    109.470    3.000
 DSK      CAQ    CAN    HAN     108.340    3.000
 DSK      CAQ    CAN    OAC     109.470    3.000
 DSK      CAQ    CAN    CAJ     111.000    3.000
 DSK      HAN    CAN    OAC     109.470    3.000
 DSK      HAN    CAN    CAJ     108.340    3.000
 DSK      OAC    CAN    CAJ     109.470    3.000
 DSK      CAN    OAC    HOAC    109.470    3.000
 DSK      CAN    CAJ    HAJ     109.470    3.000
 DSK      CAN    CAJ    HAJA    109.470    3.000
 DSK      CAN    CAJ    OAA     109.470    3.000
 DSK      HAJ    CAJ    HAJA    107.900    3.000
 DSK      HAJ    CAJ    OAA     109.470    3.000
 DSK      HAJA   CAJ    OAA     109.470    3.000
 DSK      CAJ    OAA    HOAA    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
 DSK      var_1    HOAI   OAI    CAT    CAU     -175.573   20.000   1
 DSK      var_2    OAI    CAT    CAP    OAE     -150.000   20.000   3
 DSK      var_3    CAT    CAP    OAE    HOAE     179.057   20.000   1
 DSK      var_4    OAI    CAT    CAU    SAV     -120.000   20.000   3
 DSK      var_5    CAT    CAU    CAK    OAB      -56.420   20.000   3
 DSK      var_6    CAU    CAK    OAB    HOAB    -179.968   20.000   1
 DSK      var_7    CAT    CAU    SAV    CAL      120.000   20.000   1
 DSK      var_8    CAU    SAV    CAM    CAP      -30.000   20.000   1
 DSK      var_9    SAV    CAM    CAP    CAT       30.000   20.000   3
 DSK      var_10   CAU    SAV    CAL    CAO     -172.389   20.000   1
 DSK      var_11   SAV    CAL    CAO    CAR     -174.969   20.000   3
 DSK      var_12   CAL    CAO    OAD    HOAD      59.979   20.000   1
 DSK      var_13   CAL    CAO    CAR    CAS     -179.969   20.000   3
 DSK      var_14   CAO    CAR    OAG    HOAG      60.038   20.000   1
 DSK      var_15   CAO    CAR    CAS    CAQ     -174.999   20.000   3
 DSK      var_16   CAR    CAS    OAH    HOAH     -60.048   20.000   1
 DSK      var_17   CAR    CAS    CAQ    CAN      179.967   20.000   3
 DSK      var_18   CAS    CAQ    OAF    HOAF     -59.990   20.000   1
 DSK      var_19   CAS    CAQ    CAN    CAJ      174.996   20.000   3
 DSK      var_20   CAQ    CAN    OAC    HOAC      60.023   20.000   1
 DSK      var_21   CAQ    CAN    CAJ    OAA      175.018   20.000   3
 DSK      var_22   CAN    CAJ    OAA    HOAA    -179.975   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
 DSK      chir_01  CAN    OAC    CAJ    CAQ       negativ
 DSK      chir_02  CAO    OAD    CAL    CAR       positiv
 DSK      chir_03  CAP    OAE    CAM    CAT       positiv
 DSK      chir_04  CAQ    OAF    CAN    CAS       positiv
 DSK      chir_05  CAR    OAG    CAO    CAS       positiv
 DSK      chir_06  CAS    OAH    CAQ    CAR       positiv
 DSK      chir_07  CAT    OAI    CAP    CAU       negativ
 DSK      chir_08  CAU    CAK    CAT    SAV       positiv
 DSK      chir_09  SAV    CAL    CAM    CAU       positiv
# ------------------------------------------------------
