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
VAW      VAW '"(2S,3R,4S)-methyl 4-(2-(2-(1H-indol' non-polymer        74  38 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_VAW
#
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
 VAW           OAC    O    O        -0.500      0.000    0.000    0.000
 VAW           CAZ    C    C         0.000     -1.233    0.099    0.186
 VAW           OAV    O    O2       -0.500     -1.677    0.935    1.004
 VAW           CAB    C    CH3       0.000     -0.765    1.886    1.669
 VAW           HAB3   H    H         0.000     -0.348    2.553    0.953
 VAW           HAB2   H    H         0.000     -1.294    2.452    2.397
 VAW           HAB1   H    H         0.000      0.024    1.360    2.150
 VAW           CBA    C    C         0.000     -2.126   -0.736   -0.528
 VAW           CAI    C    C1        0.000     -1.625   -1.708   -1.293
 VAW           HAI    H    H         0.000     -0.555   -1.829   -1.335
 VAW           OAW    O    O2        0.000     -2.392   -2.543   -2.013
 VAW           CBK    C    CH1       0.000     -3.804   -2.615   -1.677
 VAW           HBK    H    H         0.000     -4.347   -3.146   -2.471
 VAW           O1     O    O2        0.000     -3.968   -3.304   -0.436
 VAW           C1     C    CH1       0.000     -3.600   -4.684   -0.484
 VAW           H1     H    H         0.000     -2.568   -4.776   -0.850
 VAW           C2     C    CH1       0.000     -3.699   -5.287    0.920
 VAW           H2     H    H         0.000     -4.720   -5.159    1.304
 VAW           O2     O    OH1       0.000     -2.775   -4.629    1.788
 VAW           HC     H    H         0.000     -2.987   -3.687    1.827
 VAW           C3     C    CH1       0.000     -3.361   -6.780    0.849
 VAW           H3     H    H         0.000     -2.322   -6.907    0.514
 VAW           O3     O    OH1       0.000     -3.522   -7.367    2.143
 VAW           HB     H    H         0.000     -2.923   -6.937    2.768
 VAW           C4     C    CH1       0.000     -4.308   -7.460   -0.144
 VAW           H4     H    H         0.000     -5.342   -7.377    0.219
 VAW           O4     O    OH1       0.000     -3.955   -8.840   -0.272
 VAW           HA     H    H         0.000     -4.032   -9.273    0.589
 VAW           C5     C    CH1       0.000     -4.186   -6.773   -1.506
 VAW           H5     H    H         0.000     -3.162   -6.893   -1.887
 VAW           C6     C    CH2       0.000     -5.172   -7.408   -2.489
 VAW           H6C1   H    H         0.000     -6.193   -7.213   -2.155
 VAW           H6C2   H    H         0.000     -5.002   -8.486   -2.528
 VAW           O6     O    OH1       0.000     -4.979   -6.846   -3.788
 VAW           H6     H    H         0.000     -5.603   -7.248   -4.408
 VAW           O5     O    O2        0.000     -4.483   -5.382   -1.365
 VAW           CBH    C    CH1       0.000     -4.342   -1.183   -1.549
 VAW           HBH    H    H         0.000     -5.420   -1.209   -1.337
 VAW           CAH    C    C1        0.000     -4.094   -0.431   -2.831
 VAW           HAH    H    H         0.000     -3.089   -0.313   -3.201
 VAW           CAA    C    C2        0.000     -5.100    0.079   -3.496
 VAW           HAA2   H    H         0.000     -6.102   -0.041   -3.125
 VAW           HAA1   H    H         0.000     -4.920    0.616   -4.410
 VAW           CBJ    C    CH1       0.000     -3.605   -0.494   -0.396
 VAW           HBJ    H    H         0.000     -3.958   -0.904    0.561
 VAW           CAS    C    CH2       0.000     -3.882    1.009   -0.440
 VAW           HAS1   H    H         0.000     -3.509    1.420   -1.381
 VAW           HAS2   H    H         0.000     -3.376    1.497    0.395
 VAW           CAQ    C    CH2       0.000     -5.166    1.217   -0.352
 VAW           HAQ1   H    H         0.000     -5.530    0.845    0.608
 VAW           HAQ2   H    H         0.000     -5.676    0.690   -1.162
 VAW           NAT    N    NH1       0.000     -5.438    2.657   -0.456
 VAW           HAT    H    H         0.000     -4.738    3.359   -0.653
 VAW           CAP    C    CH2       0.000     -6.862    2.942   -0.236
 VAW           HAP1   H    H         0.000     -7.174    2.517    0.720
 VAW           HAP2   H    H         0.000     -7.450    2.497   -1.040
 VAW           CAR    C    CH2       0.000     -7.050    4.231   -0.221
 VAW           HAR1   H    H         0.000     -6.736    4.655   -1.177
 VAW           HAR2   H    H         0.000     -6.460    4.675    0.584
 VAW           CBB    C    CR5       0.000     -8.511    4.523    0.005
 VAW           CBD    C    CR56      0.000     -9.173    4.706    1.300
 VAW           CAN    C    CR15      0.000     -9.453    4.665   -0.940
 VAW           HAN    H    H         0.000     -9.281    4.582   -2.006
 VAW           NAU    N    NR15      0.000    -10.662    4.931   -0.359
 VAW           HAU    H    H         0.000    -11.552    5.086   -0.874
 VAW           CBC    C    CR56      0.000    -10.525    4.963    1.011
 VAW           CAL    C    CR16      0.000    -11.414    5.186    2.058
 VAW           HAL    H    H         0.000    -12.459    5.384    1.850
 VAW           CAJ    C    CR16      0.000    -10.963    5.152    3.359
 VAW           HAJ    H    H         0.000    -11.657    5.326    4.172
 VAW           CAK    C    CR16      0.000     -9.626    4.898    3.638
 VAW           HAK    H    H         0.000     -9.287    4.876    4.666
 VAW           CAM    C    CR16      0.000     -8.736    4.676    2.626
 VAW           HAM    H    H         0.000     -7.696    4.478    2.851
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
 VAW      OAC    n/a    CAZ    START
 VAW      CAZ    OAC    CBA    .
 VAW      OAV    CAZ    CAB    .
 VAW      CAB    OAV    HAB1   .
 VAW      HAB3   CAB    .      .
 VAW      HAB2   CAB    .      .
 VAW      HAB1   CAB    .      .
 VAW      CBA    CAZ    CBJ    .
 VAW      CAI    CBA    OAW    .
 VAW      HAI    CAI    .      .
 VAW      OAW    CAI    CBK    .
 VAW      CBK    OAW    CBH    .
 VAW      HBK    CBK    .      .
 VAW      O1     CBK    C1     .
 VAW      C1     O1     C2     .
 VAW      H1     C1     .      .
 VAW      C2     C1     C3     .
 VAW      H2     C2     .      .
 VAW      O2     C2     HC     .
 VAW      HC     O2     .      .
 VAW      C3     C2     C4     .
 VAW      H3     C3     .      .
 VAW      O3     C3     HB     .
 VAW      HB     O3     .      .
 VAW      C4     C3     C5     .
 VAW      H4     C4     .      .
 VAW      O4     C4     HA     .
 VAW      HA     O4     .      .
 VAW      C5     C4     O5     .
 VAW      H5     C5     .      .
 VAW      C6     C5     O6     .
 VAW      H6C1   C6     .      .
 VAW      H6C2   C6     .      .
 VAW      O6     C6     H6     .
 VAW      H6     O6     .      .
 VAW      O5     C5     .      .
 VAW      CBH    CBK    CAH    .
 VAW      HBH    CBH    .      .
 VAW      CAH    CBH    CAA    .
 VAW      HAH    CAH    .      .
 VAW      CAA    CAH    HAA1   .
 VAW      HAA2   CAA    .      .
 VAW      HAA1   CAA    .      .
 VAW      CBJ    CBA    CAS    .
 VAW      HBJ    CBJ    .      .
 VAW      CAS    CBJ    CAQ    .
 VAW      HAS1   CAS    .      .
 VAW      HAS2   CAS    .      .
 VAW      CAQ    CAS    NAT    .
 VAW      HAQ1   CAQ    .      .
 VAW      HAQ2   CAQ    .      .
 VAW      NAT    CAQ    CAP    .
 VAW      HAT    NAT    .      .
 VAW      CAP    NAT    CAR    .
 VAW      HAP1   CAP    .      .
 VAW      HAP2   CAP    .      .
 VAW      CAR    CAP    CBB    .
 VAW      HAR1   CAR    .      .
 VAW      HAR2   CAR    .      .
 VAW      CBB    CAR    CAN    .
 VAW      CBD    CBB    .      .
 VAW      CAN    CBB    NAU    .
 VAW      HAN    CAN    .      .
 VAW      NAU    CAN    CBC    .
 VAW      HAU    NAU    .      .
 VAW      CBC    NAU    CAL    .
 VAW      CAL    CBC    CAJ    .
 VAW      HAL    CAL    .      .
 VAW      CAJ    CAL    CAK    .
 VAW      HAJ    CAJ    .      .
 VAW      CAK    CAJ    CAM    .
 VAW      HAK    CAK    .      .
 VAW      CAM    CAK    HAM    .
 VAW      HAM    CAM    .      END
 VAW      CBD    CAM    .    ADD
 VAW      CBD    CBC    .    ADD
 VAW      CBJ    CBH    .    ADD
 VAW      C1     O5     .    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
 VAW      CBD    CAM       single      1.390    0.020
 VAW      CBD    CBC       double      1.490    0.020
 VAW      CBD    CBB       single      1.490    0.020
 VAW      CAM    CAK       double      1.390    0.020
 VAW      CAK    CAJ       single      1.390    0.020
 VAW      CAJ    CAL       double      1.390    0.020
 VAW      CAL    CBC       single      1.390    0.020
 VAW      CBC    NAU       single      1.340    0.020
 VAW      NAU    CAN       single      1.350    0.020
 VAW      CAN    CBB       double      1.387    0.020
 VAW      CBB    CAR       single      1.510    0.020
 VAW      CAR    CAP       single      1.524    0.020
 VAW      CAP    NAT       single      1.450    0.020
 VAW      NAT    CAQ       single      1.450    0.020
 VAW      CAQ    CAS       single      1.524    0.020
 VAW      CAS    CBJ       single      1.524    0.020
 VAW      CBJ    CBH       single      1.524    0.020
 VAW      CBJ    CBA       single      1.500    0.020
 VAW      CAH    CBH       single      1.510    0.020
 VAW      CBH    CBK       single      1.524    0.020
 VAW      CAA    CAH       double      1.320    0.020
 VAW      CBA    CAZ       single      1.460    0.020
 VAW      CAI    CBA       double      1.340    0.020
 VAW      CAZ    OAC       deloc       1.220    0.020
 VAW      OAV    CAZ       deloc       1.454    0.020
 VAW      CAB    OAV       single      1.426    0.020
 VAW      OAW    CAI       single      1.454    0.020
 VAW      CBK    OAW       single      1.426    0.020
 VAW      O1     CBK       single      1.426    0.020
 VAW      C1     O1        single      1.426    0.020
 VAW      C1     O5        single      1.426    0.020
 VAW      C2     C1        single      1.524    0.020
 VAW      O5     C5        single      1.426    0.020
 VAW      C6     C5        single      1.524    0.020
 VAW      C5     C4        single      1.524    0.020
 VAW      O6     C6        single      1.432    0.020
 VAW      O4     C4        single      1.432    0.020
 VAW      C4     C3        single      1.524    0.020
 VAW      O3     C3        single      1.432    0.020
 VAW      C3     C2        single      1.524    0.020
 VAW      O2     C2        single      1.432    0.020
 VAW      HAM    CAM       single      1.083    0.020
 VAW      HAK    CAK       single      1.083    0.020
 VAW      HAJ    CAJ       single      1.083    0.020
 VAW      HAL    CAL       single      1.083    0.020
 VAW      HAU    NAU       single      1.040    0.020
 VAW      HAN    CAN       single      1.083    0.020
 VAW      HAR1   CAR       single      1.092    0.020
 VAW      HAR2   CAR       single      1.092    0.020
 VAW      HAP1   CAP       single      1.092    0.020
 VAW      HAP2   CAP       single      1.092    0.020
 VAW      HAT    NAT       single      1.010    0.020
 VAW      HAQ1   CAQ       single      1.092    0.020
 VAW      HAQ2   CAQ       single      1.092    0.020
 VAW      HAS1   CAS       single      1.092    0.020
 VAW      HAS2   CAS       single      1.092    0.020
 VAW      HBJ    CBJ       single      1.099    0.020
 VAW      HBH    CBH       single      1.099    0.020
 VAW      HAH    CAH       single      1.077    0.020
 VAW      HBK    CBK       single      1.099    0.020
 VAW      HAA1   CAA       single      1.077    0.020
 VAW      HAA2   CAA       single      1.077    0.020
 VAW      HAI    CAI       single      1.077    0.020
 VAW      HAB1   CAB       single      1.059    0.020
 VAW      HAB2   CAB       single      1.059    0.020
 VAW      HAB3   CAB       single      1.059    0.020
 VAW      H1     C1        single      1.099    0.020
 VAW      H2     C2        single      1.099    0.020
 VAW      H5     C5        single      1.099    0.020
 VAW      H6C1   C6        single      1.092    0.020
 VAW      H6C2   C6        single      1.092    0.020
 VAW      H4     C4        single      1.099    0.020
 VAW      H6     O6        single      0.967    0.020
 VAW      HA     O4        single      0.967    0.020
 VAW      H3     C3        single      1.099    0.020
 VAW      HB     O3        single      0.967    0.020
 VAW      HC     O2        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
 VAW      OAC    CAZ    OAV     119.000    3.000
 VAW      OAC    CAZ    CBA     120.500    3.000
 VAW      OAV    CAZ    CBA     120.000    3.000
 VAW      CAZ    OAV    CAB     120.000    3.000
 VAW      OAV    CAB    HAB3    109.470    3.000
 VAW      OAV    CAB    HAB2    109.470    3.000
 VAW      OAV    CAB    HAB1    109.470    3.000
 VAW      HAB3   CAB    HAB2    109.470    3.000
 VAW      HAB3   CAB    HAB1    109.470    3.000
 VAW      HAB2   CAB    HAB1    109.470    3.000
 VAW      CAZ    CBA    CAI     120.000    3.000
 VAW      CAZ    CBA    CBJ     120.000    3.000
 VAW      CAI    CBA    CBJ     120.000    3.000
 VAW      CBA    CAI    HAI     120.000    3.000
 VAW      CBA    CAI    OAW     120.000    3.000
 VAW      HAI    CAI    OAW     120.000    3.000
 VAW      CAI    OAW    CBK     120.000    3.000
 VAW      OAW    CBK    HBK     109.470    3.000
 VAW      OAW    CBK    O1      109.470    3.000
 VAW      OAW    CBK    CBH     109.470    3.000
 VAW      HBK    CBK    O1      109.470    3.000
 VAW      HBK    CBK    CBH     108.340    3.000
 VAW      O1     CBK    CBH     109.470    3.000
 VAW      CBK    O1     C1      111.800    3.000
 VAW      O1     C1     H1      109.470    3.000
 VAW      O1     C1     C2      109.470    3.000
 VAW      O1     C1     O5      109.470    3.000
 VAW      H1     C1     C2      108.340    3.000
 VAW      H1     C1     O5      109.470    3.000
 VAW      C2     C1     O5      109.470    3.000
 VAW      C1     C2     H2      108.340    3.000
 VAW      C1     C2     O2      109.470    3.000
 VAW      C1     C2     C3      111.000    3.000
 VAW      H2     C2     O2      109.470    3.000
 VAW      H2     C2     C3      108.340    3.000
 VAW      O2     C2     C3      109.470    3.000
 VAW      C2     O2     HC      109.470    3.000
 VAW      C2     C3     H3      108.340    3.000
 VAW      C2     C3     O3      109.470    3.000
 VAW      C2     C3     C4      111.000    3.000
 VAW      H3     C3     O3      109.470    3.000
 VAW      H3     C3     C4      108.340    3.000
 VAW      O3     C3     C4      109.470    3.000
 VAW      C3     O3     HB      109.470    3.000
 VAW      C3     C4     H4      108.340    3.000
 VAW      C3     C4     O4      109.470    3.000
 VAW      C3     C4     C5      111.000    3.000
 VAW      H4     C4     O4      109.470    3.000
 VAW      H4     C4     C5      108.340    3.000
 VAW      O4     C4     C5      109.470    3.000
 VAW      C4     O4     HA      109.470    3.000
 VAW      C4     C5     H5      108.340    3.000
 VAW      C4     C5     C6      111.000    3.000
 VAW      C4     C5     O5      109.470    3.000
 VAW      H5     C5     C6      108.340    3.000
 VAW      H5     C5     O5      109.470    3.000
 VAW      C6     C5     O5      109.470    3.000
 VAW      C5     C6     H6C1    109.470    3.000
 VAW      C5     C6     H6C2    109.470    3.000
 VAW      C5     C6     O6      109.470    3.000
 VAW      H6C1   C6     H6C2    107.900    3.000
 VAW      H6C1   C6     O6      109.470    3.000
 VAW      H6C2   C6     O6      109.470    3.000
 VAW      C6     O6     H6      109.470    3.000
 VAW      C5     O5     C1      111.800    3.000
 VAW      CBK    CBH    HBH     108.340    3.000
 VAW      CBK    CBH    CAH     109.470    3.000
 VAW      CBK    CBH    CBJ     111.000    3.000
 VAW      HBH    CBH    CAH     108.810    3.000
 VAW      HBH    CBH    CBJ     108.340    3.000
 VAW      CAH    CBH    CBJ     109.470    3.000
 VAW      CBH    CAH    HAH     120.000    3.000
 VAW      CBH    CAH    CAA     120.000    3.000
 VAW      HAH    CAH    CAA     120.000    3.000
 VAW      CAH    CAA    HAA2    120.000    3.000
 VAW      CAH    CAA    HAA1    120.000    3.000
 VAW      HAA2   CAA    HAA1    120.000    3.000
 VAW      CBA    CBJ    HBJ     108.810    3.000
 VAW      CBA    CBJ    CAS     109.470    3.000
 VAW      CBA    CBJ    CBH     109.470    3.000
 VAW      HBJ    CBJ    CAS     108.340    3.000
 VAW      HBJ    CBJ    CBH     108.340    3.000
 VAW      CAS    CBJ    CBH     111.000    3.000
 VAW      CBJ    CAS    HAS1    109.470    3.000
 VAW      CBJ    CAS    HAS2    109.470    3.000
 VAW      CBJ    CAS    CAQ     111.000    3.000
 VAW      HAS1   CAS    HAS2    107.900    3.000
 VAW      HAS1   CAS    CAQ     109.470    3.000
 VAW      HAS2   CAS    CAQ     109.470    3.000
 VAW      CAS    CAQ    HAQ1    109.470    3.000
 VAW      CAS    CAQ    HAQ2    109.470    3.000
 VAW      CAS    CAQ    NAT     112.000    3.000
 VAW      HAQ1   CAQ    HAQ2    107.900    3.000
 VAW      HAQ1   CAQ    NAT     109.470    3.000
 VAW      HAQ2   CAQ    NAT     109.470    3.000
 VAW      CAQ    NAT    HAT     118.500    3.000
 VAW      CAQ    NAT    CAP     120.000    3.000
 VAW      HAT    NAT    CAP     118.500    3.000
 VAW      NAT    CAP    HAP1    109.470    3.000
 VAW      NAT    CAP    HAP2    109.470    3.000
 VAW      NAT    CAP    CAR     112.000    3.000
 VAW      HAP1   CAP    HAP2    107.900    3.000
 VAW      HAP1   CAP    CAR     109.470    3.000
 VAW      HAP2   CAP    CAR     109.470    3.000
 VAW      CAP    CAR    HAR1    109.470    3.000
 VAW      CAP    CAR    HAR2    109.470    3.000
 VAW      CAP    CAR    CBB     109.470    3.000
 VAW      HAR1   CAR    HAR2    107.900    3.000
 VAW      HAR1   CAR    CBB     109.470    3.000
 VAW      HAR2   CAR    CBB     109.470    3.000
 VAW      CAR    CBB    CBD     126.000    3.000
 VAW      CAR    CBB    CAN     126.000    3.000
 VAW      CBD    CBB    CAN     108.000    3.000
 VAW      CBB    CBD    CAM     126.000    3.000
 VAW      CBB    CBD    CBC     108.000    3.000
 VAW      CAM    CBD    CBC     120.000    3.000
 VAW      CBB    CAN    HAN     126.000    3.000
 VAW      CBB    CAN    NAU     108.000    3.000
 VAW      HAN    CAN    NAU     126.000    3.000
 VAW      CAN    NAU    HAU     126.000    3.000
 VAW      CAN    NAU    CBC     108.000    3.000
 VAW      HAU    NAU    CBC     126.000    3.000
 VAW      NAU    CBC    CAL     132.000    3.000
 VAW      NAU    CBC    CBD     108.000    3.000
 VAW      CAL    CBC    CBD     120.000    3.000
 VAW      CBC    CAL    HAL     120.000    3.000
 VAW      CBC    CAL    CAJ     120.000    3.000
 VAW      HAL    CAL    CAJ     120.000    3.000
 VAW      CAL    CAJ    HAJ     120.000    3.000
 VAW      CAL    CAJ    CAK     120.000    3.000
 VAW      HAJ    CAJ    CAK     120.000    3.000
 VAW      CAJ    CAK    HAK     120.000    3.000
 VAW      CAJ    CAK    CAM     120.000    3.000
 VAW      HAK    CAK    CAM     120.000    3.000
 VAW      CAK    CAM    HAM     120.000    3.000
 VAW      CAK    CAM    CBD     120.000    3.000
 VAW      HAM    CAM    CBD     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
 VAW      var_1    OAC    CAZ    OAV    CAB        5.255   20.000   1
 VAW      var_2    CAZ    OAV    CAB    HAB1     -54.396   20.000   1
 VAW      var_3    OAC    CAZ    CBA    CBJ     -173.494   20.000   1
 VAW      var_4    CAZ    CBA    CAI    OAW      180.000   20.000   1
 VAW      var_5    CBA    CAI    OAW    CBK      -30.000   20.000   1
 VAW      var_6    CAI    OAW    CBK    CBH       60.000   20.000   1
 VAW      var_7    OAW    CBK    O1     C1       -66.208   20.000   1
 VAW      var_8    CBK    O1     C1     C2       175.038   20.000   1
 VAW      var_9    O1     C1     O5     C5       180.000   20.000   1
 VAW      var_10   O1     C1     C2     C3       180.000   20.000   3
 VAW      var_11   C1     C2     O2     HC        60.024   20.000   1
 VAW      var_12   C1     C2     C3     C4       -60.000   20.000   3
 VAW      var_13   C2     C3     O3     HB       -60.468   20.000   1
 VAW      var_14   C2     C3     C4     C5        60.000   20.000   3
 VAW      var_15   C3     C4     O4     HA        60.283   20.000   1
 VAW      var_16   C3     C4     C5     O5       -60.000   20.000   3
 VAW      var_17   C4     C5     C6     O6      -175.100   20.000   3
 VAW      var_18   C5     C6     O6     H6       179.960   20.000   1
 VAW      var_19   C4     C5     O5     C1        60.000   20.000   1
 VAW      var_20   OAW    CBK    CBH    CAH       60.000   20.000   3
 VAW      var_21   CBK    CBH    CAH    CAA      121.161   20.000   1
 VAW      CONST_1  CBH    CAH    CAA    HAA1     179.973    0.000   0
 VAW      var_22   CAZ    CBA    CBJ    CAS       30.000   20.000   3
 VAW      var_23   CBA    CBJ    CBH    CBK       60.000   20.000   3
 VAW      var_24   CBA    CBJ    CAS    CAQ      178.733   20.000   3
 VAW      var_25   CBJ    CAS    CAQ    NAT     -177.469   20.000   3
 VAW      var_26   CAS    CAQ    NAT    CAP     -174.689   20.000   3
 VAW      var_27   CAQ    NAT    CAP    CAR      174.636   20.000   3
 VAW      var_28   NAT    CAP    CAR    CBB      179.985   20.000   3
 VAW      var_29   CAP    CAR    CBB    CAN      -89.953   20.000   2
 VAW      CONST_2  CAR    CBB    CBD    CAM        0.000    0.000   0
 VAW      CONST_3  CBB    CBD    CAM    CAK      180.000    0.000   0
 VAW      CONST_4  CBB    CBD    CBC    NAU        0.000    0.000   0
 VAW      CONST_5  CAR    CBB    CAN    NAU      180.000    0.000   0
 VAW      CONST_6  CBB    CAN    NAU    CBC        0.000    0.000   0
 VAW      CONST_7  CAN    NAU    CBC    CAL      180.000    0.000   0
 VAW      CONST_8  NAU    CBC    CAL    CAJ      180.000    0.000   0
 VAW      CONST_9  CBC    CAL    CAJ    CAK        0.000    0.000   0
 VAW      CONST_10 CAL    CAJ    CAK    CAM        0.000    0.000   0
 VAW      CONST_11 CAJ    CAK    CAM    CBD        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
 VAW      chir_01  CBJ    CAS    CBH    CBA       negativ
 VAW      chir_02  CBH    CBJ    CAH    CBK       negativ
 VAW      chir_03  CBK    CBH    OAW    O1        negativ
 VAW      chir_04  C1     O1     O5     C2        positiv
 VAW      chir_05  C5     O5     C6     C4        positiv
 VAW      chir_06  C4     C5     O4     C3        negativ
 VAW      chir_07  C3     C4     O3     C2        positiv
 VAW      chir_08  C2     C1     C3     O2        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
 VAW      plan-1    CBD       0.020
 VAW      plan-1    CAM       0.020
 VAW      plan-1    CBC       0.020
 VAW      plan-1    CBB       0.020
 VAW      plan-1    NAU       0.020
 VAW      plan-1    CAN       0.020
 VAW      plan-1    CAK       0.020
 VAW      plan-1    HAM       0.020
 VAW      plan-1    CAJ       0.020
 VAW      plan-1    CAL       0.020
 VAW      plan-1    HAK       0.020
 VAW      plan-1    HAJ       0.020
 VAW      plan-1    HAL       0.020
 VAW      plan-1    HAU       0.020
 VAW      plan-1    HAN       0.020
 VAW      plan-1    CAR       0.020
 VAW      plan-2    NAT       0.020
 VAW      plan-2    CAP       0.020
 VAW      plan-2    CAQ       0.020
 VAW      plan-2    HAT       0.020
 VAW      plan-3    CAH       0.020
 VAW      plan-3    CBH       0.020
 VAW      plan-3    CAA       0.020
 VAW      plan-3    HAH       0.020
 VAW      plan-3    HAA1      0.020
 VAW      plan-3    HAA2      0.020
 VAW      plan-4    CBA       0.020
 VAW      plan-4    CBJ       0.020
 VAW      plan-4    CAZ       0.020
 VAW      plan-4    CAI       0.020
 VAW      plan-4    HAI       0.020
 VAW      plan-5    CAZ       0.020
 VAW      plan-5    CBA       0.020
 VAW      plan-5    OAC       0.020
 VAW      plan-5    OAV       0.020
 VAW      plan-6    CAI       0.020
 VAW      plan-6    CBA       0.020
 VAW      plan-6    OAW       0.020
 VAW      plan-6    HAI       0.020
# ------------------------------------------------------
