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
TDS      TDS '8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-T' non-polymer        68  30 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_TDS
#
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
 TDS           OAC    O    O         0.000      0.000    0.000    0.000
 TDS           CAG    C    CR6       0.000     -1.068   -0.390   -0.443
 TDS           CAF    C    CR66      0.000     -1.361   -0.345   -1.885
 TDS           CAE    C    CR6       0.000     -0.426    0.144   -2.805
 TDS           OAB    O    O2        0.000      0.782    0.593   -2.380
 TDS           CAA    C    CH3       0.000      1.497    1.020   -3.541
 TDS           HAA3   H    H         0.000      1.612    0.203   -4.205
 TDS           HAA2   H    H         0.000      0.958    1.793   -4.023
 TDS           HAA1   H    H         0.000      2.451    1.380   -3.256
 TDS           CAD    C    CR16      0.000     -0.742    0.167   -4.150
 TDS           HAD    H    H         0.000     -0.023    0.545   -4.867
 TDS           CAL    C    CR6       0.000     -1.979   -0.294   -4.586
 TDS           OAK    O    O2        0.000     -2.280   -0.266   -5.911
 TDS           CAJ    C    CH3       0.000     -1.141    0.279   -6.581
 TDS           HAJ3   H    H         0.000     -0.951    1.256   -6.218
 TDS           HAJ2   H    H         0.000     -0.296   -0.335   -6.399
 TDS           HAJ1   H    H         0.000     -1.329    0.320   -7.622
 TDS           CAM    C    CR6       0.000     -2.913   -0.781   -3.680
 TDS           OBD    O    OH1       0.000     -4.120   -1.229   -4.120
 TDS           HBD    H    H         0.000     -4.060   -2.174   -4.319
 TDS           CAN    C    CR66      0.000     -2.612   -0.811   -2.324
 TDS           OAO    O    O2        0.000     -3.501   -1.285   -1.425
 TDS           CAH    C    CR6       0.000     -2.080   -0.903    0.412
 TDS           CAI    C    CH3       0.000     -1.851   -0.979    1.899
 TDS           HAI3   H    H         0.000     -2.580   -0.396    2.399
 TDS           HAI2   H    H         0.000     -1.925   -1.986    2.217
 TDS           HAI1   H    H         0.000     -0.886   -0.607    2.127
 TDS           CAP    C    CR6       0.000     -3.244   -1.323   -0.115
 TDS           CAQ    C    CH2       0.000     -4.301   -1.865    0.813
 TDS           HAQ1   H    H         0.000     -3.823   -2.328    1.678
 TDS           HAQ2   H    H         0.000     -4.899   -2.612    0.286
 TDS           CAR    C    CH2       0.000     -5.204   -0.722    1.278
 TDS           HAR1   H    H         0.000     -5.681   -0.260    0.411
 TDS           HAR2   H    H         0.000     -4.605    0.024    1.803
 TDS           CAS    C    CH2       0.000     -6.278   -1.272    2.219
 TDS           HAS1   H    H         0.000     -5.799   -1.735    3.085
 TDS           HAS2   H    H         0.000     -6.875   -2.020    1.693
 TDS           CAT    C    CH2       0.000     -7.182   -0.129    2.684
 TDS           HAT1   H    H         0.000     -7.659    0.333    1.817
 TDS           HAT2   H    H         0.000     -6.583    0.618    3.210
 TDS           CAU    C    CH2       0.000     -8.256   -0.679    3.626
 TDS           HAU1   H    H         0.000     -7.777   -1.142    4.492
 TDS           HAU2   H    H         0.000     -8.853   -1.426    3.099
 TDS           CAV    C    CH2       0.000     -9.160    0.463    4.091
 TDS           HAV1   H    H         0.000     -9.637    0.925    3.224
 TDS           HAV2   H    H         0.000     -8.561    1.210    4.616
 TDS           CAW    C    CH2       0.000    -10.234   -0.086    5.033
 TDS           HAW1   H    H         0.000     -9.755   -0.549    5.898
 TDS           HAW2   H    H         0.000    -10.831   -0.832    4.506
 TDS           CAX    C    CH2       0.000    -11.137    1.056    5.499
 TDS           HAX1   H    H         0.000    -11.614    1.519    4.633
 TDS           HAX2   H    H         0.000    -10.537    1.802    6.025
 TDS           CAY    C    CH2       0.000    -12.211    0.507    6.441
 TDS           HAY1   H    H         0.000    -11.732    0.044    7.307
 TDS           HAY2   H    H         0.000    -12.808   -0.241    5.915
 TDS           CAZ    C    CH2       0.000    -13.115    1.649    6.906
 TDS           HAZ1   H    H         0.000    -13.592    2.111    6.039
 TDS           HAZ2   H    H         0.000    -12.516    2.396    7.432
 TDS           CBA    C    CH2       0.000    -14.188    1.099    7.847
 TDS           HBA1   H    H         0.000    -13.709    0.636    8.713
 TDS           HBA2   H    H         0.000    -14.785    0.352    7.320
 TDS           CBB    C    CH2       0.000    -15.093    2.242    8.313
 TDS           HBB1   H    H         0.000    -15.570    2.703    7.446
 TDS           HBB2   H    H         0.000    -14.494    2.988    8.838
 TDS           CBC    C    CH3       0.000    -16.166    1.692    9.254
 TDS           HBC3   H    H         0.000    -16.750    0.968    8.746
 TDS           HBC2   H    H         0.000    -15.705    1.243   10.097
 TDS           HBC1   H    H         0.000    -16.794    2.483    9.579
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
 TDS      OAC    n/a    CAG    START
 TDS      CAG    OAC    CAH    .
 TDS      CAF    CAG    CAE    .
 TDS      CAE    CAF    CAD    .
 TDS      OAB    CAE    CAA    .
 TDS      CAA    OAB    HAA1   .
 TDS      HAA3   CAA    .      .
 TDS      HAA2   CAA    .      .
 TDS      HAA1   CAA    .      .
 TDS      CAD    CAE    CAL    .
 TDS      HAD    CAD    .      .
 TDS      CAL    CAD    CAM    .
 TDS      OAK    CAL    CAJ    .
 TDS      CAJ    OAK    HAJ1   .
 TDS      HAJ3   CAJ    .      .
 TDS      HAJ2   CAJ    .      .
 TDS      HAJ1   CAJ    .      .
 TDS      CAM    CAL    CAN    .
 TDS      OBD    CAM    HBD    .
 TDS      HBD    OBD    .      .
 TDS      CAN    CAM    OAO    .
 TDS      OAO    CAN    .      .
 TDS      CAH    CAG    CAP    .
 TDS      CAI    CAH    HAI1   .
 TDS      HAI3   CAI    .      .
 TDS      HAI2   CAI    .      .
 TDS      HAI1   CAI    .      .
 TDS      CAP    CAH    CAQ    .
 TDS      CAQ    CAP    CAR    .
 TDS      HAQ1   CAQ    .      .
 TDS      HAQ2   CAQ    .      .
 TDS      CAR    CAQ    CAS    .
 TDS      HAR1   CAR    .      .
 TDS      HAR2   CAR    .      .
 TDS      CAS    CAR    CAT    .
 TDS      HAS1   CAS    .      .
 TDS      HAS2   CAS    .      .
 TDS      CAT    CAS    CAU    .
 TDS      HAT1   CAT    .      .
 TDS      HAT2   CAT    .      .
 TDS      CAU    CAT    CAV    .
 TDS      HAU1   CAU    .      .
 TDS      HAU2   CAU    .      .
 TDS      CAV    CAU    CAW    .
 TDS      HAV1   CAV    .      .
 TDS      HAV2   CAV    .      .
 TDS      CAW    CAV    CAX    .
 TDS      HAW1   CAW    .      .
 TDS      HAW2   CAW    .      .
 TDS      CAX    CAW    CAY    .
 TDS      HAX1   CAX    .      .
 TDS      HAX2   CAX    .      .
 TDS      CAY    CAX    CAZ    .
 TDS      HAY1   CAY    .      .
 TDS      HAY2   CAY    .      .
 TDS      CAZ    CAY    CBA    .
 TDS      HAZ1   CAZ    .      .
 TDS      HAZ2   CAZ    .      .
 TDS      CBA    CAZ    CBB    .
 TDS      HBA1   CBA    .      .
 TDS      HBA2   CBA    .      .
 TDS      CBB    CBA    CBC    .
 TDS      HBB1   CBB    .      .
 TDS      HBB2   CBB    .      .
 TDS      CBC    CBB    HBC1   .
 TDS      HBC3   CBC    .      .
 TDS      HBC2   CBC    .      .
 TDS      HBC1   CBC    .      END
 TDS      CAP    OAO    .    ADD
 TDS      CAF    CAN    .    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
 TDS      CBC    CBB       single      1.513    0.020
 TDS      HBC1   CBC       single      1.059    0.020
 TDS      HBC2   CBC       single      1.059    0.020
 TDS      HBC3   CBC       single      1.059    0.020
 TDS      CBB    CBA       single      1.524    0.020
 TDS      HBB1   CBB       single      1.092    0.020
 TDS      HBB2   CBB       single      1.092    0.020
 TDS      CBA    CAZ       single      1.524    0.020
 TDS      HBA1   CBA       single      1.092    0.020
 TDS      HBA2   CBA       single      1.092    0.020
 TDS      CAZ    CAY       single      1.524    0.020
 TDS      HAZ1   CAZ       single      1.092    0.020
 TDS      HAZ2   CAZ       single      1.092    0.020
 TDS      CAY    CAX       single      1.524    0.020
 TDS      HAY1   CAY       single      1.092    0.020
 TDS      HAY2   CAY       single      1.092    0.020
 TDS      CAX    CAW       single      1.524    0.020
 TDS      HAX1   CAX       single      1.092    0.020
 TDS      HAX2   CAX       single      1.092    0.020
 TDS      CAW    CAV       single      1.524    0.020
 TDS      HAW1   CAW       single      1.092    0.020
 TDS      HAW2   CAW       single      1.092    0.020
 TDS      CAV    CAU       single      1.524    0.020
 TDS      HAV1   CAV       single      1.092    0.020
 TDS      HAV2   CAV       single      1.092    0.020
 TDS      CAU    CAT       single      1.524    0.020
 TDS      HAU1   CAU       single      1.092    0.020
 TDS      HAU2   CAU       single      1.092    0.020
 TDS      CAT    CAS       single      1.524    0.020
 TDS      HAT1   CAT       single      1.092    0.020
 TDS      HAT2   CAT       single      1.092    0.020
 TDS      CAS    CAR       single      1.524    0.020
 TDS      HAS1   CAS       single      1.092    0.020
 TDS      HAS2   CAS       single      1.092    0.020
 TDS      CAR    CAQ       single      1.524    0.020
 TDS      HAR1   CAR       single      1.092    0.020
 TDS      HAR2   CAR       single      1.092    0.020
 TDS      CAQ    CAP       single      1.511    0.020
 TDS      HAQ1   CAQ       single      1.092    0.020
 TDS      HAQ2   CAQ       single      1.092    0.020
 TDS      CAP    OAO       single      1.370    0.020
 TDS      CAP    CAH       double      1.487    0.020
 TDS      OAO    CAN       single      1.370    0.020
 TDS      CAI    CAH       single      1.506    0.020
 TDS      CAH    CAG       single      1.487    0.020
 TDS      HAI1   CAI       single      1.059    0.020
 TDS      HAI2   CAI       single      1.059    0.020
 TDS      HAI3   CAI       single      1.059    0.020
 TDS      CAG    OAC       double      1.250    0.020
 TDS      CAF    CAG       single      1.490    0.020
 TDS      CAF    CAN       double      1.490    0.020
 TDS      CAE    CAF       single      1.490    0.020
 TDS      CAN    CAM       single      1.490    0.020
 TDS      OBD    CAM       single      1.362    0.020
 TDS      CAM    CAL       double      1.487    0.020
 TDS      HBD    OBD       single      0.967    0.020
 TDS      OAK    CAL       single      1.370    0.020
 TDS      CAL    CAD       single      1.390    0.020
 TDS      CAJ    OAK       single      1.426    0.020
 TDS      HAJ1   CAJ       single      1.059    0.020
 TDS      HAJ2   CAJ       single      1.059    0.020
 TDS      HAJ3   CAJ       single      1.059    0.020
 TDS      CAD    CAE       double      1.390    0.020
 TDS      HAD    CAD       single      1.083    0.020
 TDS      OAB    CAE       single      1.370    0.020
 TDS      CAA    OAB       single      1.426    0.020
 TDS      HAA1   CAA       single      1.059    0.020
 TDS      HAA2   CAA       single      1.059    0.020
 TDS      HAA3   CAA       single      1.059    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
 TDS      OAC    CAG    CAF     120.000    3.000
 TDS      OAC    CAG    CAH     120.000    3.000
 TDS      CAF    CAG    CAH     120.000    3.000
 TDS      CAG    CAF    CAE     120.000    3.000
 TDS      CAG    CAF    CAN     120.000    3.000
 TDS      CAE    CAF    CAN     120.000    3.000
 TDS      CAF    CAE    OAB     120.000    3.000
 TDS      CAF    CAE    CAD     120.000    3.000
 TDS      OAB    CAE    CAD     120.000    3.000
 TDS      CAE    OAB    CAA     120.000    3.000
 TDS      OAB    CAA    HAA3    109.470    3.000
 TDS      OAB    CAA    HAA2    109.470    3.000
 TDS      OAB    CAA    HAA1    109.470    3.000
 TDS      HAA3   CAA    HAA2    109.470    3.000
 TDS      HAA3   CAA    HAA1    109.470    3.000
 TDS      HAA2   CAA    HAA1    109.470    3.000
 TDS      CAE    CAD    HAD     120.000    3.000
 TDS      CAE    CAD    CAL     120.000    3.000
 TDS      HAD    CAD    CAL     120.000    3.000
 TDS      CAD    CAL    OAK     120.000    3.000
 TDS      CAD    CAL    CAM     120.000    3.000
 TDS      OAK    CAL    CAM     120.000    3.000
 TDS      CAL    OAK    CAJ     120.000    3.000
 TDS      OAK    CAJ    HAJ3    109.470    3.000
 TDS      OAK    CAJ    HAJ2    109.470    3.000
 TDS      OAK    CAJ    HAJ1    109.470    3.000
 TDS      HAJ3   CAJ    HAJ2    109.470    3.000
 TDS      HAJ3   CAJ    HAJ1    109.470    3.000
 TDS      HAJ2   CAJ    HAJ1    109.470    3.000
 TDS      CAL    CAM    OBD     120.000    3.000
 TDS      CAL    CAM    CAN     120.000    3.000
 TDS      OBD    CAM    CAN     120.000    3.000
 TDS      CAM    OBD    HBD     109.470    3.000
 TDS      CAM    CAN    OAO     120.000    3.000
 TDS      CAM    CAN    CAF     120.000    3.000
 TDS      OAO    CAN    CAF     120.000    3.000
 TDS      CAN    OAO    CAP     120.000    3.000
 TDS      CAG    CAH    CAI     120.000    3.000
 TDS      CAG    CAH    CAP     120.000    3.000
 TDS      CAI    CAH    CAP     120.000    3.000
 TDS      CAH    CAI    HAI3    109.470    3.000
 TDS      CAH    CAI    HAI2    109.470    3.000
 TDS      CAH    CAI    HAI1    109.470    3.000
 TDS      HAI3   CAI    HAI2    109.470    3.000
 TDS      HAI3   CAI    HAI1    109.470    3.000
 TDS      HAI2   CAI    HAI1    109.470    3.000
 TDS      CAH    CAP    CAQ     120.000    3.000
 TDS      CAH    CAP    OAO     120.000    3.000
 TDS      CAQ    CAP    OAO     120.000    3.000
 TDS      CAP    CAQ    HAQ1    109.470    3.000
 TDS      CAP    CAQ    HAQ2    109.470    3.000
 TDS      CAP    CAQ    CAR     109.470    3.000
 TDS      HAQ1   CAQ    HAQ2    107.900    3.000
 TDS      HAQ1   CAQ    CAR     109.470    3.000
 TDS      HAQ2   CAQ    CAR     109.470    3.000
 TDS      CAQ    CAR    HAR1    109.470    3.000
 TDS      CAQ    CAR    HAR2    109.470    3.000
 TDS      CAQ    CAR    CAS     111.000    3.000
 TDS      HAR1   CAR    HAR2    107.900    3.000
 TDS      HAR1   CAR    CAS     109.470    3.000
 TDS      HAR2   CAR    CAS     109.470    3.000
 TDS      CAR    CAS    HAS1    109.470    3.000
 TDS      CAR    CAS    HAS2    109.470    3.000
 TDS      CAR    CAS    CAT     111.000    3.000
 TDS      HAS1   CAS    HAS2    107.900    3.000
 TDS      HAS1   CAS    CAT     109.470    3.000
 TDS      HAS2   CAS    CAT     109.470    3.000
 TDS      CAS    CAT    HAT1    109.470    3.000
 TDS      CAS    CAT    HAT2    109.470    3.000
 TDS      CAS    CAT    CAU     111.000    3.000
 TDS      HAT1   CAT    HAT2    107.900    3.000
 TDS      HAT1   CAT    CAU     109.470    3.000
 TDS      HAT2   CAT    CAU     109.470    3.000
 TDS      CAT    CAU    HAU1    109.470    3.000
 TDS      CAT    CAU    HAU2    109.470    3.000
 TDS      CAT    CAU    CAV     111.000    3.000
 TDS      HAU1   CAU    HAU2    107.900    3.000
 TDS      HAU1   CAU    CAV     109.470    3.000
 TDS      HAU2   CAU    CAV     109.470    3.000
 TDS      CAU    CAV    HAV1    109.470    3.000
 TDS      CAU    CAV    HAV2    109.470    3.000
 TDS      CAU    CAV    CAW     111.000    3.000
 TDS      HAV1   CAV    HAV2    107.900    3.000
 TDS      HAV1   CAV    CAW     109.470    3.000
 TDS      HAV2   CAV    CAW     109.470    3.000
 TDS      CAV    CAW    HAW1    109.470    3.000
 TDS      CAV    CAW    HAW2    109.470    3.000
 TDS      CAV    CAW    CAX     111.000    3.000
 TDS      HAW1   CAW    HAW2    107.900    3.000
 TDS      HAW1   CAW    CAX     109.470    3.000
 TDS      HAW2   CAW    CAX     109.470    3.000
 TDS      CAW    CAX    HAX1    109.470    3.000
 TDS      CAW    CAX    HAX2    109.470    3.000
 TDS      CAW    CAX    CAY     111.000    3.000
 TDS      HAX1   CAX    HAX2    107.900    3.000
 TDS      HAX1   CAX    CAY     109.470    3.000
 TDS      HAX2   CAX    CAY     109.470    3.000
 TDS      CAX    CAY    HAY1    109.470    3.000
 TDS      CAX    CAY    HAY2    109.470    3.000
 TDS      CAX    CAY    CAZ     111.000    3.000
 TDS      HAY1   CAY    HAY2    107.900    3.000
 TDS      HAY1   CAY    CAZ     109.470    3.000
 TDS      HAY2   CAY    CAZ     109.470    3.000
 TDS      CAY    CAZ    HAZ1    109.470    3.000
 TDS      CAY    CAZ    HAZ2    109.470    3.000
 TDS      CAY    CAZ    CBA     111.000    3.000
 TDS      HAZ1   CAZ    HAZ2    107.900    3.000
 TDS      HAZ1   CAZ    CBA     109.470    3.000
 TDS      HAZ2   CAZ    CBA     109.470    3.000
 TDS      CAZ    CBA    HBA1    109.470    3.000
 TDS      CAZ    CBA    HBA2    109.470    3.000
 TDS      CAZ    CBA    CBB     111.000    3.000
 TDS      HBA1   CBA    HBA2    107.900    3.000
 TDS      HBA1   CBA    CBB     109.470    3.000
 TDS      HBA2   CBA    CBB     109.470    3.000
 TDS      CBA    CBB    HBB1    109.470    3.000
 TDS      CBA    CBB    HBB2    109.470    3.000
 TDS      CBA    CBB    CBC     111.000    3.000
 TDS      HBB1   CBB    HBB2    107.900    3.000
 TDS      HBB1   CBB    CBC     109.470    3.000
 TDS      HBB2   CBB    CBC     109.470    3.000
 TDS      CBB    CBC    HBC3    109.470    3.000
 TDS      CBB    CBC    HBC2    109.470    3.000
 TDS      CBB    CBC    HBC1    109.470    3.000
 TDS      HBC3   CBC    HBC2    109.470    3.000
 TDS      HBC3   CBC    HBC1    109.470    3.000
 TDS      HBC2   CBC    HBC1    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
 TDS      CONST_1  OAC    CAG    CAF    CAE        0.000    0.000   0
 TDS      CONST_2  CAG    CAF    CAN    CAM      180.000    0.000   0
 TDS      CONST_3  CAG    CAF    CAE    CAD      180.000    0.000   0
 TDS      var_1    CAF    CAE    OAB    CAA     -179.986   20.000   1
 TDS      var_2    CAE    OAB    CAA    HAA1    -179.986   20.000   1
 TDS      CONST_4  CAF    CAE    CAD    CAL        0.000    0.000   0
 TDS      CONST_5  CAE    CAD    CAL    CAM        0.000    0.000   0
 TDS      var_3    CAD    CAL    OAK    CAJ        0.078   20.000   1
 TDS      var_4    CAL    OAK    CAJ    HAJ1     179.968   20.000   1
 TDS      CONST_6  CAD    CAL    CAM    CAN        0.000    0.000   0
 TDS      var_5    CAL    CAM    OBD    HBD       89.936   20.000   1
 TDS      CONST_7  CAL    CAM    CAN    OAO      180.000    0.000   0
 TDS      CONST_8  CAM    CAN    OAO    CAP      180.000    0.000   0
 TDS      CONST_9  OAC    CAG    CAH    CAP      180.000    0.000   0
 TDS      var_6    CAG    CAH    CAI    HAI1       0.062   20.000   1
 TDS      CONST_10 CAG    CAH    CAP    CAQ      180.000    0.000   0
 TDS      CONST_11 CAH    CAP    OAO    CAN        0.000    0.000   0
 TDS      var_7    CAH    CAP    CAQ    CAR       89.958   20.000   2
 TDS      var_8    CAP    CAQ    CAR    CAS     -179.996   20.000   3
 TDS      var_9    CAQ    CAR    CAS    CAT     -179.973   20.000   3
 TDS      var_10   CAR    CAS    CAT    CAU      180.000   20.000   3
 TDS      var_11   CAS    CAT    CAU    CAV     -179.991   20.000   3
 TDS      var_12   CAT    CAU    CAV    CAW     -179.991   20.000   3
 TDS      var_13   CAU    CAV    CAW    CAX      179.932   20.000   3
 TDS      var_14   CAV    CAW    CAX    CAY      180.000   20.000   3
 TDS      var_15   CAW    CAX    CAY    CAZ     -179.932   20.000   3
 TDS      var_16   CAX    CAY    CAZ    CBA      179.989   20.000   3
 TDS      var_17   CAY    CAZ    CBA    CBB      179.997   20.000   3
 TDS      var_18   CAZ    CBA    CBB    CBC     -179.991   20.000   3
 TDS      var_19   CBA    CBB    CBC    HBC1     179.955   20.000   3
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
 TDS      plan-1    CAP       0.020
 TDS      plan-1    CAQ       0.020
 TDS      plan-1    OAO       0.020
 TDS      plan-1    CAH       0.020
 TDS      plan-1    CAG       0.020
 TDS      plan-1    CAI       0.020
 TDS      plan-1    OAC       0.020
 TDS      plan-1    CAF       0.020
 TDS      plan-1    CAN       0.020
 TDS      plan-1    CAE       0.020
 TDS      plan-1    CAM       0.020
 TDS      plan-1    CAL       0.020
 TDS      plan-1    CAD       0.020
 TDS      plan-1    OBD       0.020
 TDS      plan-1    OAK       0.020
 TDS      plan-1    HAD       0.020
 TDS      plan-1    OAB       0.020
# ------------------------------------------------------
