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
TWN      TWN '(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRA' non-polymer        67  25 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_TWN
#
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
 TWN           OAG    O    O        -0.500      0.000    0.000    0.000
 TWN           CAE    C    C         0.000     -1.177   -0.095    0.413
 TWN           OAI    O    O2       -0.500     -2.079    0.603   -0.102
 TWN           CAJ    C    CH2       0.000     -1.825    1.575   -1.215
 TWN           HAJ1   H    H         0.000     -1.407    1.019   -2.057
 TWN           HAJ2   H    H         0.000     -1.093    2.305   -0.864
 TWN           CAM    C    CH2       0.000     -3.097    2.299   -1.661
 TWN           HAM1   H    H         0.000     -3.514    2.853   -0.817
 TWN           HAM2   H    H         0.000     -3.828    1.567   -2.011
 TWN           CAH    C    CH1       0.000     -2.761    3.270   -2.795
 TWN           HAH    H    H         0.000     -2.259    2.725   -3.607
 TWN           CAB    C    CH1       0.000     -4.049    3.901   -3.325
 TWN           HAB    H    H         0.000     -4.569    4.440   -2.520
 TWN           CAC    C    CH1       0.000     -3.733    4.863   -4.498
 TWN           HAC    H    H         0.000     -3.490    5.870   -4.131
 TWN           CAK    C    CH3       0.000     -2.609    4.310   -5.375
 TWN           HAK3   H    H         0.000     -1.703    4.304   -4.827
 TWN           HAK2   H    H         0.000     -2.846    3.322   -5.675
 TWN           HAK1   H    H         0.000     -2.496    4.921   -6.234
 TWN           CAF    C    CH1       0.000     -5.090    4.856   -5.257
 TWN           HAF    H    H         0.000     -5.789    5.579   -4.813
 TWN           CAN    C    CH3       0.000     -4.889    5.140   -6.747
 TWN           HAN3   H    H         0.000     -4.527    6.127   -6.874
 TWN           HAN2   H    H         0.000     -4.187    4.454   -7.147
 TWN           HAN1   H    H         0.000     -5.812    5.035   -7.256
 TWN           CAD    C    CH2       0.000     -5.583    3.410   -5.034
 TWN           HAD2   H    H         0.000     -5.351    2.791   -5.904
 TWN           HAD1   H    H         0.000     -6.661    3.398   -4.859
 TWN           OAA    O    O2        0.000     -4.906    2.893   -3.884
 TWN           CAO    C    CH3       0.000     -1.833    4.367   -2.269
 TWN           HAO3   H    H         0.000     -1.599    5.040   -3.053
 TWN           HAO2   H    H         0.000     -2.315    4.894   -1.485
 TWN           HAO1   H    H         0.000     -0.940    3.931   -1.901
 TWN           CAL    C    CH2       0.000     -1.508   -1.051    1.530
 TWN           HAL1   H    H         0.000     -2.240   -1.781    1.178
 TWN           HAL2   H    H         0.000     -1.925   -0.495    2.372
 TWN           CAP    C    CH2       0.000     -0.236   -1.775    1.975
 TWN           HAP1   H    H         0.000      0.495   -1.044    2.325
 TWN           HAP2   H    H         0.000      0.180   -2.330    1.131
 TWN           CAW    C    CH2       0.000     -0.573   -2.746    3.109
 TWN           HAW1   H    H         0.000     -1.304   -3.476    2.757
 TWN           HAW2   H    H         0.000     -0.991   -2.190    3.950
 TWN           CAS    C    CH2       0.000      0.699   -3.470    3.555
 TWN           HAS1   H    H         0.000      1.430   -2.738    3.906
 TWN           HAS2   H    H         0.000      1.117   -4.024    2.711
 TWN           CAX    C    CH2       0.000      0.362   -4.441    4.689
 TWN           HAX1   H    H         0.000     -0.369   -5.171    4.337
 TWN           HAX2   H    H         0.000     -0.056   -3.886    5.531
 TWN           CAT    C    CH2       0.000      1.635   -5.165    5.134
 TWN           HAT1   H    H         0.000      2.366   -4.434    5.484
 TWN           HAT2   H    H         0.000      2.052   -5.720    4.291
 TWN           CAU    C    CH2       0.000      1.298   -6.135    6.268
 TWN           HAU1   H    H         0.000      0.565   -6.865    5.917
 TWN           HAU2   H    H         0.000      0.881   -5.579    7.110
 TWN           CAV    C    CH2       0.000      2.569   -6.860    6.714
 TWN           HAV1   H    H         0.000      3.301   -6.128    7.064
 TWN           HAV2   H    H         0.000      2.986   -7.414    5.870
 TWN           CAR    C    CH2       0.000      2.233   -7.831    7.848
 TWN           HAR1   H    H         0.000      1.502   -8.561    7.496
 TWN           HAR2   H    H         0.000      1.815   -7.275    8.689
 TWN           CAQ    C    CH2       0.000      3.505   -8.554    8.294
 TWN           HAQ1   H    H         0.000      4.236   -7.822    8.644
 TWN           HAQ2   H    H         0.000      3.923   -9.108    7.450
 TWN           CAY    C    CH3       0.000      3.169   -9.525    9.428
 TWN           HAY3   H    H         0.000      2.765   -8.989   10.248
 TWN           HAY2   H    H         0.000      2.459  -10.236    9.090
 TWN           HAY1   H    H         0.000      4.049  -10.029    9.738
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
 TWN      OAG    n/a    CAE    START
 TWN      CAE    OAG    CAL    .
 TWN      OAI    CAE    CAJ    .
 TWN      CAJ    OAI    CAM    .
 TWN      HAJ1   CAJ    .      .
 TWN      HAJ2   CAJ    .      .
 TWN      CAM    CAJ    CAH    .
 TWN      HAM1   CAM    .      .
 TWN      HAM2   CAM    .      .
 TWN      CAH    CAM    CAO    .
 TWN      HAH    CAH    .      .
 TWN      CAB    CAH    CAC    .
 TWN      HAB    CAB    .      .
 TWN      CAC    CAB    CAF    .
 TWN      HAC    CAC    .      .
 TWN      CAK    CAC    HAK1   .
 TWN      HAK3   CAK    .      .
 TWN      HAK2   CAK    .      .
 TWN      HAK1   CAK    .      .
 TWN      CAF    CAC    CAD    .
 TWN      HAF    CAF    .      .
 TWN      CAN    CAF    HAN1   .
 TWN      HAN3   CAN    .      .
 TWN      HAN2   CAN    .      .
 TWN      HAN1   CAN    .      .
 TWN      CAD    CAF    OAA    .
 TWN      HAD2   CAD    .      .
 TWN      HAD1   CAD    .      .
 TWN      OAA    CAD    .      .
 TWN      CAO    CAH    HAO1   .
 TWN      HAO3   CAO    .      .
 TWN      HAO2   CAO    .      .
 TWN      HAO1   CAO    .      .
 TWN      CAL    CAE    CAP    .
 TWN      HAL1   CAL    .      .
 TWN      HAL2   CAL    .      .
 TWN      CAP    CAL    CAW    .
 TWN      HAP1   CAP    .      .
 TWN      HAP2   CAP    .      .
 TWN      CAW    CAP    CAS    .
 TWN      HAW1   CAW    .      .
 TWN      HAW2   CAW    .      .
 TWN      CAS    CAW    CAX    .
 TWN      HAS1   CAS    .      .
 TWN      HAS2   CAS    .      .
 TWN      CAX    CAS    CAT    .
 TWN      HAX1   CAX    .      .
 TWN      HAX2   CAX    .      .
 TWN      CAT    CAX    CAU    .
 TWN      HAT1   CAT    .      .
 TWN      HAT2   CAT    .      .
 TWN      CAU    CAT    CAV    .
 TWN      HAU1   CAU    .      .
 TWN      HAU2   CAU    .      .
 TWN      CAV    CAU    CAR    .
 TWN      HAV1   CAV    .      .
 TWN      HAV2   CAV    .      .
 TWN      CAR    CAV    CAQ    .
 TWN      HAR1   CAR    .      .
 TWN      HAR2   CAR    .      .
 TWN      CAQ    CAR    CAY    .
 TWN      HAQ1   CAQ    .      .
 TWN      HAQ2   CAQ    .      .
 TWN      CAY    CAQ    HAY1   .
 TWN      HAY3   CAY    .      .
 TWN      HAY2   CAY    .      .
 TWN      HAY1   CAY    .      END
 TWN      CAB    OAA    .    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
 TWN      CAE    OAG       deloc       1.220    0.020
 TWN      OAI    CAE       deloc       1.454    0.020
 TWN      CAL    CAE       single      1.510    0.020
 TWN      CAJ    OAI       single      1.426    0.020
 TWN      CAM    CAJ       single      1.524    0.020
 TWN      HAJ1   CAJ       single      1.092    0.020
 TWN      HAJ2   CAJ       single      1.092    0.020
 TWN      CAH    CAM       single      1.524    0.020
 TWN      HAM1   CAM       single      1.092    0.020
 TWN      HAM2   CAM       single      1.092    0.020
 TWN      CAO    CAH       single      1.524    0.020
 TWN      CAB    CAH       single      1.524    0.020
 TWN      HAH    CAH       single      1.099    0.020
 TWN      HAO1   CAO       single      1.059    0.020
 TWN      HAO2   CAO       single      1.059    0.020
 TWN      HAO3   CAO       single      1.059    0.020
 TWN      CAB    OAA       single      1.426    0.020
 TWN      CAC    CAB       single      1.524    0.020
 TWN      HAB    CAB       single      1.099    0.020
 TWN      OAA    CAD       single      1.426    0.020
 TWN      CAD    CAF       single      1.524    0.020
 TWN      HAD1   CAD       single      1.092    0.020
 TWN      HAD2   CAD       single      1.092    0.020
 TWN      CAN    CAF       single      1.524    0.020
 TWN      CAF    CAC       single      1.524    0.020
 TWN      HAF    CAF       single      1.099    0.020
 TWN      HAN1   CAN       single      1.059    0.020
 TWN      HAN2   CAN       single      1.059    0.020
 TWN      HAN3   CAN       single      1.059    0.020
 TWN      CAK    CAC       single      1.524    0.020
 TWN      HAC    CAC       single      1.099    0.020
 TWN      HAK1   CAK       single      1.059    0.020
 TWN      HAK2   CAK       single      1.059    0.020
 TWN      HAK3   CAK       single      1.059    0.020
 TWN      CAP    CAL       single      1.524    0.020
 TWN      HAL1   CAL       single      1.092    0.020
 TWN      HAL2   CAL       single      1.092    0.020
 TWN      CAW    CAP       single      1.524    0.020
 TWN      HAP1   CAP       single      1.092    0.020
 TWN      HAP2   CAP       single      1.092    0.020
 TWN      CAS    CAW       single      1.524    0.020
 TWN      HAW1   CAW       single      1.092    0.020
 TWN      HAW2   CAW       single      1.092    0.020
 TWN      CAX    CAS       single      1.524    0.020
 TWN      HAS1   CAS       single      1.092    0.020
 TWN      HAS2   CAS       single      1.092    0.020
 TWN      CAT    CAX       single      1.524    0.020
 TWN      HAX1   CAX       single      1.092    0.020
 TWN      HAX2   CAX       single      1.092    0.020
 TWN      CAU    CAT       single      1.524    0.020
 TWN      HAT1   CAT       single      1.092    0.020
 TWN      HAT2   CAT       single      1.092    0.020
 TWN      CAV    CAU       single      1.524    0.020
 TWN      HAU1   CAU       single      1.092    0.020
 TWN      HAU2   CAU       single      1.092    0.020
 TWN      CAR    CAV       single      1.524    0.020
 TWN      HAV1   CAV       single      1.092    0.020
 TWN      HAV2   CAV       single      1.092    0.020
 TWN      CAQ    CAR       single      1.524    0.020
 TWN      HAR1   CAR       single      1.092    0.020
 TWN      HAR2   CAR       single      1.092    0.020
 TWN      CAY    CAQ       single      1.513    0.020
 TWN      HAQ1   CAQ       single      1.092    0.020
 TWN      HAQ2   CAQ       single      1.092    0.020
 TWN      HAY1   CAY       single      1.059    0.020
 TWN      HAY2   CAY       single      1.059    0.020
 TWN      HAY3   CAY       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
 TWN      OAG    CAE    OAI     119.000    3.000
 TWN      OAG    CAE    CAL     120.500    3.000
 TWN      OAI    CAE    CAL     120.000    3.000
 TWN      CAE    OAI    CAJ     120.000    3.000
 TWN      OAI    CAJ    HAJ1    109.470    3.000
 TWN      OAI    CAJ    HAJ2    109.470    3.000
 TWN      OAI    CAJ    CAM     109.470    3.000
 TWN      HAJ1   CAJ    HAJ2    107.900    3.000
 TWN      HAJ1   CAJ    CAM     109.470    3.000
 TWN      HAJ2   CAJ    CAM     109.470    3.000
 TWN      CAJ    CAM    HAM1    109.470    3.000
 TWN      CAJ    CAM    HAM2    109.470    3.000
 TWN      CAJ    CAM    CAH     111.000    3.000
 TWN      HAM1   CAM    HAM2    107.900    3.000
 TWN      HAM1   CAM    CAH     109.470    3.000
 TWN      HAM2   CAM    CAH     109.470    3.000
 TWN      CAM    CAH    HAH     108.340    3.000
 TWN      CAM    CAH    CAB     111.000    3.000
 TWN      CAM    CAH    CAO     111.000    3.000
 TWN      HAH    CAH    CAB     108.340    3.000
 TWN      HAH    CAH    CAO     108.340    3.000
 TWN      CAB    CAH    CAO     111.000    3.000
 TWN      CAH    CAB    HAB     108.340    3.000
 TWN      CAH    CAB    CAC     111.000    3.000
 TWN      CAH    CAB    OAA     109.470    3.000
 TWN      HAB    CAB    CAC     108.340    3.000
 TWN      HAB    CAB    OAA     109.470    3.000
 TWN      CAC    CAB    OAA     109.470    3.000
 TWN      CAB    CAC    HAC     108.340    3.000
 TWN      CAB    CAC    CAK     111.000    3.000
 TWN      CAB    CAC    CAF     111.000    3.000
 TWN      HAC    CAC    CAK     108.340    3.000
 TWN      HAC    CAC    CAF     108.340    3.000
 TWN      CAK    CAC    CAF     111.000    3.000
 TWN      CAC    CAK    HAK3    109.470    3.000
 TWN      CAC    CAK    HAK2    109.470    3.000
 TWN      CAC    CAK    HAK1    109.470    3.000
 TWN      HAK3   CAK    HAK2    109.470    3.000
 TWN      HAK3   CAK    HAK1    109.470    3.000
 TWN      HAK2   CAK    HAK1    109.470    3.000
 TWN      CAC    CAF    HAF     108.340    3.000
 TWN      CAC    CAF    CAN     111.000    3.000
 TWN      CAC    CAF    CAD     111.000    3.000
 TWN      HAF    CAF    CAN     108.340    3.000
 TWN      HAF    CAF    CAD     108.340    3.000
 TWN      CAN    CAF    CAD     111.000    3.000
 TWN      CAF    CAN    HAN3    109.470    3.000
 TWN      CAF    CAN    HAN2    109.470    3.000
 TWN      CAF    CAN    HAN1    109.470    3.000
 TWN      HAN3   CAN    HAN2    109.470    3.000
 TWN      HAN3   CAN    HAN1    109.470    3.000
 TWN      HAN2   CAN    HAN1    109.470    3.000
 TWN      CAF    CAD    HAD2    109.470    3.000
 TWN      CAF    CAD    HAD1    109.470    3.000
 TWN      CAF    CAD    OAA     109.470    3.000
 TWN      HAD2   CAD    HAD1    107.900    3.000
 TWN      HAD2   CAD    OAA     109.470    3.000
 TWN      HAD1   CAD    OAA     109.470    3.000
 TWN      CAD    OAA    CAB     111.800    3.000
 TWN      CAH    CAO    HAO3    109.470    3.000
 TWN      CAH    CAO    HAO2    109.470    3.000
 TWN      CAH    CAO    HAO1    109.470    3.000
 TWN      HAO3   CAO    HAO2    109.470    3.000
 TWN      HAO3   CAO    HAO1    109.470    3.000
 TWN      HAO2   CAO    HAO1    109.470    3.000
 TWN      CAE    CAL    HAL1    109.470    3.000
 TWN      CAE    CAL    HAL2    109.470    3.000
 TWN      CAE    CAL    CAP     109.470    3.000
 TWN      HAL1   CAL    HAL2    107.900    3.000
 TWN      HAL1   CAL    CAP     109.470    3.000
 TWN      HAL2   CAL    CAP     109.470    3.000
 TWN      CAL    CAP    HAP1    109.470    3.000
 TWN      CAL    CAP    HAP2    109.470    3.000
 TWN      CAL    CAP    CAW     111.000    3.000
 TWN      HAP1   CAP    HAP2    107.900    3.000
 TWN      HAP1   CAP    CAW     109.470    3.000
 TWN      HAP2   CAP    CAW     109.470    3.000
 TWN      CAP    CAW    HAW1    109.470    3.000
 TWN      CAP    CAW    HAW2    109.470    3.000
 TWN      CAP    CAW    CAS     111.000    3.000
 TWN      HAW1   CAW    HAW2    107.900    3.000
 TWN      HAW1   CAW    CAS     109.470    3.000
 TWN      HAW2   CAW    CAS     109.470    3.000
 TWN      CAW    CAS    HAS1    109.470    3.000
 TWN      CAW    CAS    HAS2    109.470    3.000
 TWN      CAW    CAS    CAX     111.000    3.000
 TWN      HAS1   CAS    HAS2    107.900    3.000
 TWN      HAS1   CAS    CAX     109.470    3.000
 TWN      HAS2   CAS    CAX     109.470    3.000
 TWN      CAS    CAX    HAX1    109.470    3.000
 TWN      CAS    CAX    HAX2    109.470    3.000
 TWN      CAS    CAX    CAT     111.000    3.000
 TWN      HAX1   CAX    HAX2    107.900    3.000
 TWN      HAX1   CAX    CAT     109.470    3.000
 TWN      HAX2   CAX    CAT     109.470    3.000
 TWN      CAX    CAT    HAT1    109.470    3.000
 TWN      CAX    CAT    HAT2    109.470    3.000
 TWN      CAX    CAT    CAU     111.000    3.000
 TWN      HAT1   CAT    HAT2    107.900    3.000
 TWN      HAT1   CAT    CAU     109.470    3.000
 TWN      HAT2   CAT    CAU     109.470    3.000
 TWN      CAT    CAU    HAU1    109.470    3.000
 TWN      CAT    CAU    HAU2    109.470    3.000
 TWN      CAT    CAU    CAV     111.000    3.000
 TWN      HAU1   CAU    HAU2    107.900    3.000
 TWN      HAU1   CAU    CAV     109.470    3.000
 TWN      HAU2   CAU    CAV     109.470    3.000
 TWN      CAU    CAV    HAV1    109.470    3.000
 TWN      CAU    CAV    HAV2    109.470    3.000
 TWN      CAU    CAV    CAR     111.000    3.000
 TWN      HAV1   CAV    HAV2    107.900    3.000
 TWN      HAV1   CAV    CAR     109.470    3.000
 TWN      HAV2   CAV    CAR     109.470    3.000
 TWN      CAV    CAR    HAR1    109.470    3.000
 TWN      CAV    CAR    HAR2    109.470    3.000
 TWN      CAV    CAR    CAQ     111.000    3.000
 TWN      HAR1   CAR    HAR2    107.900    3.000
 TWN      HAR1   CAR    CAQ     109.470    3.000
 TWN      HAR2   CAR    CAQ     109.470    3.000
 TWN      CAR    CAQ    HAQ1    109.470    3.000
 TWN      CAR    CAQ    HAQ2    109.470    3.000
 TWN      CAR    CAQ    CAY     111.000    3.000
 TWN      HAQ1   CAQ    HAQ2    107.900    3.000
 TWN      HAQ1   CAQ    CAY     109.470    3.000
 TWN      HAQ2   CAQ    CAY     109.470    3.000
 TWN      CAQ    CAY    HAY3    109.470    3.000
 TWN      CAQ    CAY    HAY2    109.470    3.000
 TWN      CAQ    CAY    HAY1    109.470    3.000
 TWN      HAY3   CAY    HAY2    109.470    3.000
 TWN      HAY3   CAY    HAY1    109.470    3.000
 TWN      HAY2   CAY    HAY1    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
 TWN      var_1    OAG    CAE    OAI    CAJ        0.002   20.000   1
 TWN      var_2    CAE    OAI    CAJ    CAM      179.988   20.000   1
 TWN      var_3    OAI    CAJ    CAM    CAH      179.980   20.000   3
 TWN      var_4    CAJ    CAM    CAH    CAO      -64.995   20.000   3
 TWN      var_5    CAM    CAH    CAB    CAC     -178.635   20.000   3
 TWN      var_6    CAH    CAB    OAA    CAD     -150.000   20.000   1
 TWN      var_7    CAH    CAB    CAC    CAF      150.000   20.000   3
 TWN      var_8    CAB    CAC    CAK    HAK1     172.878   20.000   3
 TWN      var_9    CAB    CAC    CAF    CAD      -30.000   20.000   3
 TWN      var_10   CAC    CAF    CAN    HAN1     174.455   20.000   3
 TWN      var_11   CAC    CAF    CAD    OAA       30.000   20.000   3
 TWN      var_12   CAF    CAD    OAA    CAB        0.000   20.000   1
 TWN      var_13   CAM    CAH    CAO    HAO1      59.981   20.000   3
 TWN      var_14   OAG    CAE    CAL    CAP        0.004   20.000   3
 TWN      var_15   CAE    CAL    CAP    CAW     -179.997   20.000   3
 TWN      var_16   CAL    CAP    CAW    CAS     -179.944   20.000   3
 TWN      var_17   CAP    CAW    CAS    CAX     -179.980   20.000   3
 TWN      var_18   CAW    CAS    CAX    CAT      179.966   20.000   3
 TWN      var_19   CAS    CAX    CAT    CAU      179.947   20.000   3
 TWN      var_20   CAX    CAT    CAU    CAV      179.980   20.000   3
 TWN      var_21   CAT    CAU    CAV    CAR     -179.967   20.000   3
 TWN      var_22   CAU    CAV    CAR    CAQ     -179.946   20.000   3
 TWN      var_23   CAV    CAR    CAQ    CAY      180.000   20.000   3
 TWN      var_24   CAR    CAQ    CAY    HAY1     179.920   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
 TWN      chir_01  CAH    CAM    CAO    CAB       positiv
 TWN      chir_02  CAB    CAH    OAA    CAC       positiv
 TWN      chir_03  CAF    CAD    CAN    CAC       positiv
 TWN      chir_04  CAC    CAB    CAF    CAK       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
 TWN      plan-1    CAE       0.020
 TWN      plan-1    OAG       0.000
 TWN      plan-1    OAI       0.000
 TWN      plan-1    CAL       0.000
# ------------------------------------------------------
