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
KAW      KAW 'N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(p' non-polymer        69  39 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_KAW
#
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
 KAW           OAC    O    O         0.000      0.000    0.000    0.000
 KAW           CBE    C    C         0.000     -0.394    1.127   -0.235
 KAW           CBG    C    CR6       0.000      0.576    2.201   -0.537
 KAW           CAR    C    CR16      0.000      0.128    3.494   -0.812
 KAW           HAR    H    H         0.000     -0.932    3.713   -0.808
 KAW           CAL    C    CR16      0.000      1.039    4.491   -1.090
 KAW           HAL    H    H         0.000      0.693    5.496   -1.295
 KAW           CAH    C    CR16      0.000      2.394    4.211   -1.107
 KAW           HAH    H    H         0.000      3.105    4.997   -1.328
 KAW           CAK    C    CR16      0.000      2.845    2.930   -0.842
 KAW           HAK    H    H         0.000      3.907    2.716   -0.857
 KAW           CAQ    C    CR16      0.000      1.945    1.924   -0.557
 KAW           HAQ    H    H         0.000      2.299    0.922   -0.350
 KAW           NBA    N    NH1       0.000     -1.714    1.397   -0.217
 KAW           HNBA   H    H         0.000     -2.040    2.332   -0.411
 KAW           CBL    C    CH1       0.000     -2.675    0.333    0.084
 KAW           HBL    H    H         0.000     -2.311   -0.618   -0.331
 KAW           CAX    C    CH2       0.000     -2.831    0.200    1.601
 KAW           HAX    H    H         0.000     -3.612   -0.530    1.823
 KAW           HAXA   H    H         0.000     -3.108    1.168    2.023
 KAW           CBF    C    CR6       0.000     -1.527   -0.258    2.202
 KAW           CAP    C    CR16      0.000     -1.272   -1.609    2.347
 KAW           HAP    H    H         0.000     -2.009   -2.337    2.033
 KAW           CAJ    C    CR16      0.000     -0.074   -2.030    2.895
 KAW           HAJ    H    H         0.000      0.129   -3.088    3.003
 KAW           CAG    C    CR16      0.000      0.864   -1.101    3.305
 KAW           HAG    H    H         0.000      1.801   -1.431    3.737
 KAW           CAI    C    CR16      0.000      0.606    0.250    3.163
 KAW           HAI    H    H         0.000      1.341    0.978    3.483
 KAW           CAO    C    CR16      0.000     -0.590    0.671    2.612
 KAW           HAO    H    H         0.000     -0.793    1.729    2.503
 KAW           CBM    C    CT        0.000     -4.029    0.677   -0.540
 KAW           OAE    O    OH1       0.000     -3.862    0.916   -1.939
 KAW           H30    H    H         0.000     -3.506    0.122   -2.360
 KAW           OAF    O    OH1       0.000     -4.556    1.851    0.084
 KAW           H29    H    H         0.000     -4.669    1.689    1.030
 KAW           CAW    C    CH2       0.000     -4.998   -0.488   -0.333
 KAW           HAW    H    H         0.000     -5.124   -0.670    0.736
 KAW           HAWA   H    H         0.000     -4.594   -1.385   -0.809
 KAW           CAV    C    CH2       0.000     -6.351   -0.143   -0.957
 KAW           HAV    H    H         0.000     -6.223    0.040   -2.025
 KAW           HAVA   H    H         0.000     -6.753    0.753   -0.481
 KAW           CBC    C    C         0.000     -7.306   -1.293   -0.753
 KAW           OAA    O    O         0.000     -6.938   -2.288   -0.167
 KAW           N      N    NH1       0.000     -8.567   -1.213   -1.223
 KAW           HN     H    H         0.000     -8.872   -0.383   -1.712
 KAW           CA     C    CH1       0.000     -9.494   -2.329   -1.024
 KAW           HA     H    H         0.000     -9.296   -2.801   -0.051
 KAW           C      C    C         0.000     -9.303   -3.342   -2.123
 KAW           O      O    OC       -0.500     -9.999   -4.381   -2.145
 KAW           OXT    O    OC       -0.500     -8.447   -3.144   -3.014
 KAW           CB     C    CH2       0.000    -10.933   -1.809   -1.055
 KAW           HB     H    H         0.000    -11.625   -2.651   -0.998
 KAW           HBA    H    H         0.000    -11.102   -1.262   -1.985
 KAW           CG     C    CR5       0.000    -11.159   -0.889    0.118
 KAW           CD2    C    CR56      0.000    -10.849    0.541    0.176
 KAW           CD1    C    CR15      0.000    -11.681   -1.226    1.307
 KAW           HD1    H    H         0.000    -12.010   -2.221    1.583
 KAW           NE1    N    NR15      0.000    -11.738   -0.127    2.121
 KAW           HNE1   H    H         0.000    -12.105   -0.122    3.094
 KAW           CE2    C    CR56      0.000    -11.237    0.971    1.458
 KAW           CZ2    C    CR16      0.000    -11.066    2.306    1.810
 KAW           HZ2    H    H         0.000    -11.361    2.650    2.793
 KAW           CH2    C    CR16      0.000    -10.521    3.188    0.903
 KAW           HH2    H    H         0.000    -10.389    4.227    1.180
 KAW           CZ3    C    CR16      0.000    -10.140    2.760   -0.361
 KAW           HZ3    H    H         0.000     -9.714    3.467   -1.062
 KAW           CE3    C    CR16      0.000    -10.299    1.453   -0.728
 KAW           HE3    H    H         0.000     -9.999    1.125   -1.715
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
 KAW      OAC    n/a    CBE    START
 KAW      CBE    OAC    NBA    .
 KAW      CBG    CBE    CAR    .
 KAW      CAR    CBG    CAL    .
 KAW      HAR    CAR    .      .
 KAW      CAL    CAR    CAH    .
 KAW      HAL    CAL    .      .
 KAW      CAH    CAL    CAK    .
 KAW      HAH    CAH    .      .
 KAW      CAK    CAH    CAQ    .
 KAW      HAK    CAK    .      .
 KAW      CAQ    CAK    HAQ    .
 KAW      HAQ    CAQ    .      .
 KAW      NBA    CBE    CBL    .
 KAW      HNBA   NBA    .      .
 KAW      CBL    NBA    CBM    .
 KAW      HBL    CBL    .      .
 KAW      CAX    CBL    CBF    .
 KAW      HAX    CAX    .      .
 KAW      HAXA   CAX    .      .
 KAW      CBF    CAX    CAP    .
 KAW      CAP    CBF    CAJ    .
 KAW      HAP    CAP    .      .
 KAW      CAJ    CAP    CAG    .
 KAW      HAJ    CAJ    .      .
 KAW      CAG    CAJ    CAI    .
 KAW      HAG    CAG    .      .
 KAW      CAI    CAG    CAO    .
 KAW      HAI    CAI    .      .
 KAW      CAO    CAI    HAO    .
 KAW      HAO    CAO    .      .
 KAW      CBM    CBL    CAW    .
 KAW      OAE    CBM    H30    .
 KAW      H30    OAE    .      .
 KAW      OAF    CBM    H29    .
 KAW      H29    OAF    .      .
 KAW      CAW    CBM    CAV    .
 KAW      HAW    CAW    .      .
 KAW      HAWA   CAW    .      .
 KAW      CAV    CAW    CBC    .
 KAW      HAV    CAV    .      .
 KAW      HAVA   CAV    .      .
 KAW      CBC    CAV    N      .
 KAW      OAA    CBC    .      .
 KAW      N      CBC    CA     .
 KAW      HN     N      .      .
 KAW      CA     N      CB     .
 KAW      HA     CA     .      .
 KAW      C      CA     OXT    .
 KAW      O      C      .      .
 KAW      OXT    C      .      .
 KAW      CB     CA     CG     .
 KAW      HB     CB     .      .
 KAW      HBA    CB     .      .
 KAW      CG     CB     CD1    .
 KAW      CD2    CG     .      .
 KAW      CD1    CG     NE1    .
 KAW      HD1    CD1    .      .
 KAW      NE1    CD1    CE2    .
 KAW      HNE1   NE1    .      .
 KAW      CE2    NE1    CZ2    .
 KAW      CZ2    CE2    CH2    .
 KAW      HZ2    CZ2    .      .
 KAW      CH2    CZ2    CZ3    .
 KAW      HH2    CH2    .      .
 KAW      CZ3    CH2    CE3    .
 KAW      HZ3    CZ3    .      .
 KAW      CE3    CZ3    HE3    .
 KAW      HE3    CE3    .      END
 KAW      CD2    CE3    .    ADD
 KAW      CD2    CE2    .    ADD
 KAW      CBF    CAO    .    ADD
 KAW      CBG    CAQ    .    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
 KAW      CD2    CE3       double      1.390    0.020
 KAW      CD2    CE2       single      1.490    0.020
 KAW      CD2    CG        single      1.490    0.020
 KAW      CE3    CZ3       single      1.390    0.020
 KAW      HE3    CE3       single      1.083    0.020
 KAW      CZ3    CH2       double      1.390    0.020
 KAW      HZ3    CZ3       single      1.083    0.020
 KAW      CH2    CZ2       single      1.390    0.020
 KAW      HH2    CH2       single      1.083    0.020
 KAW      CZ2    CE2       double      1.390    0.020
 KAW      HZ2    CZ2       single      1.083    0.020
 KAW      CE2    NE1       single      1.340    0.020
 KAW      NE1    CD1       single      1.350    0.020
 KAW      HNE1   NE1       single      1.040    0.020
 KAW      CD1    CG        double      1.387    0.020
 KAW      HD1    CD1       single      1.083    0.020
 KAW      CG     CB        single      1.510    0.020
 KAW      CB     CA        single      1.524    0.020
 KAW      HB     CB        single      1.092    0.020
 KAW      HBA    CB        single      1.092    0.020
 KAW      C      CA        single      1.500    0.020
 KAW      CA     N         single      1.450    0.020
 KAW      HA     CA        single      1.099    0.020
 KAW      OXT    C         deloc       1.250    0.020
 KAW      O      C         deloc       1.250    0.020
 KAW      N      CBC       single      1.330    0.020
 KAW      HN     N         single      1.010    0.020
 KAW      OAA    CBC       double      1.220    0.020
 KAW      CBC    CAV       single      1.510    0.020
 KAW      CAV    CAW       single      1.524    0.020
 KAW      HAV    CAV       single      1.092    0.020
 KAW      HAVA   CAV       single      1.092    0.020
 KAW      CAW    CBM       single      1.524    0.020
 KAW      HAW    CAW       single      1.092    0.020
 KAW      HAWA   CAW       single      1.092    0.020
 KAW      OAE    CBM       single      1.432    0.020
 KAW      OAF    CBM       single      1.432    0.020
 KAW      CBM    CBL       single      1.524    0.020
 KAW      CAX    CBL       single      1.524    0.020
 KAW      CBL    NBA       single      1.450    0.020
 KAW      HBL    CBL       single      1.099    0.020
 KAW      CBF    CAX       single      1.511    0.020
 KAW      HAX    CAX       single      1.092    0.020
 KAW      HAXA   CAX       single      1.092    0.020
 KAW      CBF    CAO       double      1.390    0.020
 KAW      CAP    CBF       single      1.390    0.020
 KAW      CAO    CAI       single      1.390    0.020
 KAW      HAO    CAO       single      1.083    0.020
 KAW      CAI    CAG       double      1.390    0.020
 KAW      HAI    CAI       single      1.083    0.020
 KAW      CAG    CAJ       single      1.390    0.020
 KAW      HAG    CAG       single      1.083    0.020
 KAW      CAJ    CAP       double      1.390    0.020
 KAW      HAJ    CAJ       single      1.083    0.020
 KAW      HAP    CAP       single      1.083    0.020
 KAW      NBA    CBE       single      1.330    0.020
 KAW      HNBA   NBA       single      1.010    0.020
 KAW      CBE    OAC       double      1.220    0.020
 KAW      CBG    CBE       single      1.500    0.020
 KAW      CBG    CAQ       double      1.390    0.020
 KAW      CAR    CBG       single      1.390    0.020
 KAW      CAQ    CAK       single      1.390    0.020
 KAW      HAQ    CAQ       single      1.083    0.020
 KAW      CAK    CAH       double      1.390    0.020
 KAW      HAK    CAK       single      1.083    0.020
 KAW      CAH    CAL       single      1.390    0.020
 KAW      HAH    CAH       single      1.083    0.020
 KAW      CAL    CAR       double      1.390    0.020
 KAW      HAL    CAL       single      1.083    0.020
 KAW      HAR    CAR       single      1.083    0.020
 KAW      H29    OAF       single      0.967    0.020
 KAW      H30    OAE       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
 KAW      OAC    CBE    CBG     120.500    3.000
 KAW      OAC    CBE    NBA     123.000    3.000
 KAW      CBG    CBE    NBA     120.000    3.000
 KAW      CBE    CBG    CAR     120.000    3.000
 KAW      CBE    CBG    CAQ     120.000    3.000
 KAW      CAR    CBG    CAQ     120.000    3.000
 KAW      CBG    CAR    HAR     120.000    3.000
 KAW      CBG    CAR    CAL     120.000    3.000
 KAW      HAR    CAR    CAL     120.000    3.000
 KAW      CAR    CAL    HAL     120.000    3.000
 KAW      CAR    CAL    CAH     120.000    3.000
 KAW      HAL    CAL    CAH     120.000    3.000
 KAW      CAL    CAH    HAH     120.000    3.000
 KAW      CAL    CAH    CAK     120.000    3.000
 KAW      HAH    CAH    CAK     120.000    3.000
 KAW      CAH    CAK    HAK     120.000    3.000
 KAW      CAH    CAK    CAQ     120.000    3.000
 KAW      HAK    CAK    CAQ     120.000    3.000
 KAW      CAK    CAQ    HAQ     120.000    3.000
 KAW      CAK    CAQ    CBG     120.000    3.000
 KAW      HAQ    CAQ    CBG     120.000    3.000
 KAW      CBE    NBA    HNBA    120.000    3.000
 KAW      CBE    NBA    CBL     121.500    3.000
 KAW      HNBA   NBA    CBL     118.500    3.000
 KAW      NBA    CBL    HBL     108.550    3.000
 KAW      NBA    CBL    CAX     110.000    3.000
 KAW      NBA    CBL    CBM     110.000    3.000
 KAW      HBL    CBL    CAX     108.340    3.000
 KAW      HBL    CBL    CBM     108.340    3.000
 KAW      CAX    CBL    CBM     111.000    3.000
 KAW      CBL    CAX    HAX     109.470    3.000
 KAW      CBL    CAX    HAXA    109.470    3.000
 KAW      CBL    CAX    CBF     109.470    3.000
 KAW      HAX    CAX    HAXA    107.900    3.000
 KAW      HAX    CAX    CBF     109.470    3.000
 KAW      HAXA   CAX    CBF     109.470    3.000
 KAW      CAX    CBF    CAP     120.000    3.000
 KAW      CAX    CBF    CAO     120.000    3.000
 KAW      CAP    CBF    CAO     120.000    3.000
 KAW      CBF    CAP    HAP     120.000    3.000
 KAW      CBF    CAP    CAJ     120.000    3.000
 KAW      HAP    CAP    CAJ     120.000    3.000
 KAW      CAP    CAJ    HAJ     120.000    3.000
 KAW      CAP    CAJ    CAG     120.000    3.000
 KAW      HAJ    CAJ    CAG     120.000    3.000
 KAW      CAJ    CAG    HAG     120.000    3.000
 KAW      CAJ    CAG    CAI     120.000    3.000
 KAW      HAG    CAG    CAI     120.000    3.000
 KAW      CAG    CAI    HAI     120.000    3.000
 KAW      CAG    CAI    CAO     120.000    3.000
 KAW      HAI    CAI    CAO     120.000    3.000
 KAW      CAI    CAO    HAO     120.000    3.000
 KAW      CAI    CAO    CBF     120.000    3.000
 KAW      HAO    CAO    CBF     120.000    3.000
 KAW      CBL    CBM    OAE     109.470    3.000
 KAW      CBL    CBM    OAF     109.470    3.000
 KAW      CBL    CBM    CAW     111.000    3.000
 KAW      OAE    CBM    OAF     109.470    3.000
 KAW      OAE    CBM    CAW     109.470    3.000
 KAW      OAF    CBM    CAW     109.470    3.000
 KAW      CBM    OAE    H30     109.470    3.000
 KAW      CBM    OAF    H29     109.470    3.000
 KAW      CBM    CAW    HAW     109.470    3.000
 KAW      CBM    CAW    HAWA    109.470    3.000
 KAW      CBM    CAW    CAV     111.000    3.000
 KAW      HAW    CAW    HAWA    107.900    3.000
 KAW      HAW    CAW    CAV     109.470    3.000
 KAW      HAWA   CAW    CAV     109.470    3.000
 KAW      CAW    CAV    HAV     109.470    3.000
 KAW      CAW    CAV    HAVA    109.470    3.000
 KAW      CAW    CAV    CBC     109.470    3.000
 KAW      HAV    CAV    HAVA    107.900    3.000
 KAW      HAV    CAV    CBC     109.470    3.000
 KAW      HAVA   CAV    CBC     109.470    3.000
 KAW      CAV    CBC    OAA     120.500    3.000
 KAW      CAV    CBC    N       116.500    3.000
 KAW      OAA    CBC    N       123.000    3.000
 KAW      CBC    N      HN      120.000    3.000
 KAW      CBC    N      CA      121.500    3.000
 KAW      HN     N      CA      118.500    3.000
 KAW      N      CA     HA      108.550    3.000
 KAW      N      CA     C       111.600    3.000
 KAW      N      CA     CB      110.000    3.000
 KAW      HA     CA     C       108.810    3.000
 KAW      HA     CA     CB      108.340    3.000
 KAW      C      CA     CB      109.470    3.000
 KAW      CA     C      O       118.500    3.000
 KAW      CA     C      OXT     118.500    3.000
 KAW      O      C      OXT     123.000    3.000
 KAW      CA     CB     HB      109.470    3.000
 KAW      CA     CB     HBA     109.470    3.000
 KAW      CA     CB     CG      109.470    3.000
 KAW      HB     CB     HBA     107.900    3.000
 KAW      HB     CB     CG      109.470    3.000
 KAW      HBA    CB     CG      109.470    3.000
 KAW      CB     CG     CD2     126.000    3.000
 KAW      CB     CG     CD1     126.000    3.000
 KAW      CD2    CG     CD1     108.000    3.000
 KAW      CG     CD2    CE3     126.000    3.000
 KAW      CG     CD2    CE2     108.000    3.000
 KAW      CE3    CD2    CE2     120.000    3.000
 KAW      CG     CD1    HD1     126.000    3.000
 KAW      CG     CD1    NE1     108.000    3.000
 KAW      HD1    CD1    NE1     126.000    3.000
 KAW      CD1    NE1    HNE1    126.000    3.000
 KAW      CD1    NE1    CE2     108.000    3.000
 KAW      HNE1   NE1    CE2     126.000    3.000
 KAW      NE1    CE2    CZ2     132.000    3.000
 KAW      NE1    CE2    CD2     108.000    3.000
 KAW      CZ2    CE2    CD2     120.000    3.000
 KAW      CE2    CZ2    HZ2     120.000    3.000
 KAW      CE2    CZ2    CH2     120.000    3.000
 KAW      HZ2    CZ2    CH2     120.000    3.000
 KAW      CZ2    CH2    HH2     120.000    3.000
 KAW      CZ2    CH2    CZ3     120.000    3.000
 KAW      HH2    CH2    CZ3     120.000    3.000
 KAW      CH2    CZ3    HZ3     120.000    3.000
 KAW      CH2    CZ3    CE3     120.000    3.000
 KAW      HZ3    CZ3    CE3     120.000    3.000
 KAW      CZ3    CE3    HE3     120.000    3.000
 KAW      CZ3    CE3    CD2     120.000    3.000
 KAW      HE3    CE3    CD2     120.000    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
 KAW      var_1    OAC    CBE    CBG    CAR      179.748   20.000   1
 KAW      CONST_1  CBE    CBG    CAQ    CAK      180.000    0.000   0
 KAW      CONST_2  CBE    CBG    CAR    CAL      180.000    0.000   0
 KAW      CONST_3  CBG    CAR    CAL    CAH        0.000    0.000   0
 KAW      CONST_4  CAR    CAL    CAH    CAK        0.000    0.000   0
 KAW      CONST_5  CAL    CAH    CAK    CAQ        0.000    0.000   0
 KAW      CONST_6  CAH    CAK    CAQ    CBG        0.000    0.000   0
 KAW      CONST_7  OAC    CBE    NBA    CBL        0.000    0.000   0
 KAW      var_2    CBE    NBA    CBL    CBM     -154.998   20.000   3
 KAW      var_3    NBA    CBL    CAX    CBF      -64.985   20.000   3
 KAW      var_4    CBL    CAX    CBF    CAP      -90.280   20.000   2
 KAW      CONST_8  CAX    CBF    CAO    CAI      180.000    0.000   0
 KAW      CONST_9  CAX    CBF    CAP    CAJ      180.000    0.000   0
 KAW      CONST_10 CBF    CAP    CAJ    CAG        0.000    0.000   0
 KAW      CONST_11 CAP    CAJ    CAG    CAI        0.000    0.000   0
 KAW      CONST_12 CAJ    CAG    CAI    CAO        0.000    0.000   0
 KAW      CONST_13 CAG    CAI    CAO    CBF        0.000    0.000   0
 KAW      var_5    NBA    CBL    CBM    CAW      175.018   20.000   1
 KAW      var_6    CBL    CBM    OAE    H30       60.004   20.000   1
 KAW      var_7    CBL    CBM    OAF    H29      -60.090   20.000   1
 KAW      var_8    CBL    CBM    CAW    CAV     -179.994   20.000   1
 KAW      var_9    CBM    CAW    CAV    CBC      179.990   20.000   3
 KAW      var_10   CAW    CAV    CBC    N       -179.981   20.000   3
 KAW      CONST_14 CAV    CBC    N      CA       180.000    0.000   0
 KAW      var_11   CBC    N      CA     CB       155.016   20.000   3
 KAW      var_12   N      CA     C      OXT        0.052   20.000   3
 KAW      var_13   N      CA     CB     CG       -65.065   20.000   3
 KAW      var_14   CA     CB     CG     CD1      -94.920   20.000   2
 KAW      CONST_15 CB     CG     CD2    CE3        0.000    0.000   0
 KAW      CONST_16 CG     CD2    CE3    CZ3      180.000    0.000   0
 KAW      CONST_17 CG     CD2    CE2    NE1        0.000    0.000   0
 KAW      CONST_18 CB     CG     CD1    NE1      180.000    0.000   0
 KAW      CONST_19 CG     CD1    NE1    CE2        0.000    0.000   0
 KAW      CONST_20 CD1    NE1    CE2    CZ2      180.000    0.000   0
 KAW      CONST_21 NE1    CE2    CZ2    CH2      180.000    0.000   0
 KAW      CONST_22 CE2    CZ2    CH2    CZ3        0.000    0.000   0
 KAW      CONST_23 CZ2    CH2    CZ3    CE3        0.000    0.000   0
 KAW      CONST_24 CH2    CZ3    CE3    CD2        0.000    0.000   0
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
 KAW      chir_01  CA     CB     C      N         negativ
 KAW      chir_02  CBM    CAW    OAE    OAF       negativ
 KAW      chir_03  CBL    CBM    CAX    NBA       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
 KAW      plan-1    CD2       0.020
 KAW      plan-1    CE3       0.020
 KAW      plan-1    CE2       0.020
 KAW      plan-1    CG        0.020
 KAW      plan-1    NE1       0.020
 KAW      plan-1    CD1       0.020
 KAW      plan-1    CZ3       0.020
 KAW      plan-1    HE3       0.020
 KAW      plan-1    CH2       0.020
 KAW      plan-1    CZ2       0.020
 KAW      plan-1    HZ3       0.020
 KAW      plan-1    HH2       0.020
 KAW      plan-1    HZ2       0.020
 KAW      plan-1    HNE1      0.020
 KAW      plan-1    HD1       0.020
 KAW      plan-1    CB        0.020
 KAW      plan-2    C         0.020
 KAW      plan-2    CA        0.020
 KAW      plan-2    OXT       0.020
 KAW      plan-2    O         0.020
 KAW      plan-3    N         0.020
 KAW      plan-3    CA        0.020
 KAW      plan-3    CBC       0.020
 KAW      plan-3    HN        0.020
 KAW      plan-4    CBC       0.020
 KAW      plan-4    N         0.020
 KAW      plan-4    OAA       0.020
 KAW      plan-4    CAV       0.020
 KAW      plan-4    HN        0.020
 KAW      plan-5    CBF       0.020
 KAW      plan-5    CAX       0.020
 KAW      plan-5    CAO       0.020
 KAW      plan-5    CAP       0.020
 KAW      plan-5    CAI       0.020
 KAW      plan-5    CAG       0.020
 KAW      plan-5    CAJ       0.020
 KAW      plan-5    HAO       0.020
 KAW      plan-5    HAI       0.020
 KAW      plan-5    HAG       0.020
 KAW      plan-5    HAJ       0.020
 KAW      plan-5    HAP       0.020
 KAW      plan-6    NBA       0.020
 KAW      plan-6    CBL       0.020
 KAW      plan-6    CBE       0.020
 KAW      plan-6    HNBA      0.020
 KAW      plan-7    CBE       0.020
 KAW      plan-7    NBA       0.020
 KAW      plan-7    OAC       0.020
 KAW      plan-7    CBG       0.020
 KAW      plan-7    HNBA      0.020
 KAW      plan-8    CBG       0.020
 KAW      plan-8    CBE       0.020
 KAW      plan-8    CAQ       0.020
 KAW      plan-8    CAR       0.020
 KAW      plan-8    CAK       0.020
 KAW      plan-8    CAH       0.020
 KAW      plan-8    CAL       0.020
 KAW      plan-8    HAQ       0.020
 KAW      plan-8    HAK       0.020
 KAW      plan-8    HAH       0.020
 KAW      plan-8    HAL       0.020
 KAW      plan-8    HAR       0.020
# ------------------------------------------------------
