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
HC6      HC6 '(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(' non-polymer        64  30 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_HC6
#
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
 HC6           OBD    O    OH1       0.000      0.000    0.000    0.000
 HC6           H34    H    H         0.000     -0.173   -0.117    0.944
 HC6           CAS    C    CT        0.000     -0.767    1.100   -0.491
 HC6           OAT    O    O2        0.000     -0.399    2.291    0.210
 HC6           CAU    C    CH2       0.000      0.970    2.664    0.030
 HC6           HAU    H    H         0.000      1.618    1.878    0.425
 HC6           HAUA   H    H         0.000      1.167    3.598    0.562
 HC6           CAV    C    CH2       0.000      1.249    2.855   -1.463
 HC6           HAV    H    H         0.000      2.304    3.099   -1.608
 HC6           HAVA   H    H         0.000      0.632    3.671   -1.847
 HC6           NAW    N    NT        1.000      0.927    1.615   -2.182
 HC6           CAY    C    CH3       0.000      1.195    1.796   -3.615
 HC6           HAYB   H    H         0.000      2.218    2.030   -3.757
 HC6           HAYA   H    H         0.000      0.963    0.902   -4.134
 HC6           HAY    H    H         0.000      0.597    2.586   -3.990
 HC6           CAZ    C    CH3       0.000      1.758    0.519   -1.664
 HC6           HAZB   H    H         0.000      2.757    0.649   -1.990
 HC6           HAZA   H    H         0.000      1.728    0.523   -0.605
 HC6           HAZ    H    H         0.000      1.387   -0.405   -2.024
 HC6           CAX    C    CH2       0.000     -0.492    1.289   -1.986
 HC6           HAXA   H    H         0.000     -0.731    0.367   -2.520
 HC6           HAX    H    H         0.000     -1.109    2.103   -2.371
 HC6           CAP    C    CR6       0.000     -2.234    0.825   -0.281
 HC6           CAQ    C    CR16      0.000     -2.699   -0.478   -0.295
 HC6           HAQ    H    H         0.000     -2.009   -1.296   -0.457
 HC6           CAR    C    CR16      0.000     -4.042   -0.735   -0.104
 HC6           HAR    H    H         0.000     -4.406   -1.755   -0.116
 HC6           CAO    C    CR16      0.000     -3.110    1.876   -0.079
 HC6           HAO    H    H         0.000     -2.740    2.894   -0.073
 HC6           CAN    C    CR16      0.000     -4.455    1.630    0.113
 HC6           HAN    H    H         0.000     -5.140    2.453    0.270
 HC6           CAM    C    CR6       0.000     -4.928    0.319    0.105
 HC6           CAJ    C    CR6       0.000     -6.372    0.048    0.313
 HC6           CAK    C    CR16      0.000     -7.258    1.102    0.522
 HC6           HAK    H    H         0.000     -6.894    2.122    0.534
 HC6           CAL    C    CR16      0.000     -8.600    0.844    0.714
 HC6           HAL    H    H         0.000     -9.290    1.663    0.875
 HC6           CAI    C    CR16      0.000     -6.845   -1.263    0.304
 HC6           HAI    H    H         0.000     -6.160   -2.086    0.147
 HC6           CAH    C    CR16      0.000     -8.190   -1.509    0.497
 HC6           HAH    H    H         0.000     -8.560   -2.527    0.489
 HC6           CAG    C    CR6       0.000     -9.066   -0.458    0.699
 HC6           CAD    C    CT        0.000    -10.533   -0.733    0.911
 HC6           CAC    C    CH2       0.000    -11.252   -0.731   -0.441
 HC6           HACA   H    H         0.000    -10.797   -1.476   -1.097
 HC6           HAC    H    H         0.000    -11.167    0.257   -0.898
 HC6           OBC    O    OH1       0.000    -11.093    0.277    1.751
 HC6           H33    H    H         0.000    -10.637    0.275    2.604
 HC6           OAE    O    O2        0.000    -10.694   -2.013    1.529
 HC6           CAF    C    CH2       0.000    -12.061   -2.387    1.726
 HC6           HAF    H    H         0.000    -12.542   -1.672    2.398
 HC6           HAFA   H    H         0.000    -12.107   -3.385    2.166
 HC6           CAB    C    CH2       0.000    -12.784   -2.387    0.377
 HC6           HAB    H    H         0.000    -13.837   -2.631    0.528
 HC6           HABA   H    H         0.000    -12.330   -3.133   -0.280
 HC6           NAA    N    NT        1.000    -12.671   -1.057   -0.238
 HC6           CBB    C    CH3       0.000    -13.365   -1.056   -1.533
 HC6           HBBB   H    H         0.000    -14.386   -1.292   -1.386
 HC6           HBBA   H    H         0.000    -13.284   -0.098   -1.976
 HC6           HBB    H    H         0.000    -12.924   -1.778   -2.170
 HC6           CBA    C    CH3       0.000    -13.282   -0.056    0.646
 HC6           HBAB   H    H         0.000    -14.335   -0.163    0.626
 HC6           HBAA   H    H         0.000    -12.932   -0.198    1.636
 HC6           HBA    H    H         0.000    -13.020    0.915    0.315
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
 HC6      OBD    n/a    CAS    START
 HC6      H34    OBD    .      .
 HC6      CAS    OBD    CAP    .
 HC6      OAT    CAS    CAU    .
 HC6      CAU    OAT    CAV    .
 HC6      HAU    CAU    .      .
 HC6      HAUA   CAU    .      .
 HC6      CAV    CAU    NAW    .
 HC6      HAV    CAV    .      .
 HC6      HAVA   CAV    .      .
 HC6      NAW    CAV    CAX    .
 HC6      CAY    NAW    HAY    .
 HC6      HAYB   CAY    .      .
 HC6      HAYA   CAY    .      .
 HC6      HAY    CAY    .      .
 HC6      CAZ    NAW    HAZ    .
 HC6      HAZB   CAZ    .      .
 HC6      HAZA   CAZ    .      .
 HC6      HAZ    CAZ    .      .
 HC6      CAX    NAW    HAX    .
 HC6      HAXA   CAX    .      .
 HC6      HAX    CAX    .      .
 HC6      CAP    CAS    CAO    .
 HC6      CAQ    CAP    CAR    .
 HC6      HAQ    CAQ    .      .
 HC6      CAR    CAQ    HAR    .
 HC6      HAR    CAR    .      .
 HC6      CAO    CAP    CAN    .
 HC6      HAO    CAO    .      .
 HC6      CAN    CAO    CAM    .
 HC6      HAN    CAN    .      .
 HC6      CAM    CAN    CAJ    .
 HC6      CAJ    CAM    CAI    .
 HC6      CAK    CAJ    CAL    .
 HC6      HAK    CAK    .      .
 HC6      CAL    CAK    HAL    .
 HC6      HAL    CAL    .      .
 HC6      CAI    CAJ    CAH    .
 HC6      HAI    CAI    .      .
 HC6      CAH    CAI    CAG    .
 HC6      HAH    CAH    .      .
 HC6      CAG    CAH    CAD    .
 HC6      CAD    CAG    OAE    .
 HC6      CAC    CAD    HAC    .
 HC6      HACA   CAC    .      .
 HC6      HAC    CAC    .      .
 HC6      OBC    CAD    H33    .
 HC6      H33    OBC    .      .
 HC6      OAE    CAD    CAF    .
 HC6      CAF    OAE    CAB    .
 HC6      HAF    CAF    .      .
 HC6      HAFA   CAF    .      .
 HC6      CAB    CAF    NAA    .
 HC6      HAB    CAB    .      .
 HC6      HABA   CAB    .      .
 HC6      NAA    CAB    CBA    .
 HC6      CBB    NAA    HBB    .
 HC6      HBBB   CBB    .      .
 HC6      HBBA   CBB    .      .
 HC6      HBB    CBB    .      .
 HC6      CBA    NAA    HBA    .
 HC6      HBAB   CBA    .      .
 HC6      HBAA   CBA    .      .
 HC6      HBA    CBA    .      END
 HC6      CAC    NAA    .    ADD
 HC6      CAG    CAL    .    ADD
 HC6      CAM    CAR    .    ADD
 HC6      CAS    CAX    .    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
 HC6      CAC    NAA       single      1.469    0.020
 HC6      CAC    CAD       single      1.524    0.020
 HC6      HAC    CAC       single      1.092    0.020
 HC6      HACA   CAC       single      1.092    0.020
 HC6      CBA    NAA       single      1.469    0.020
 HC6      CBB    NAA       single      1.469    0.020
 HC6      NAA    CAB       single      1.469    0.020
 HC6      HBA    CBA       single      1.059    0.020
 HC6      HBAA   CBA       single      1.059    0.020
 HC6      HBAB   CBA       single      1.059    0.020
 HC6      HBB    CBB       single      1.059    0.020
 HC6      HBBA   CBB       single      1.059    0.020
 HC6      HBBB   CBB       single      1.059    0.020
 HC6      CAB    CAF       single      1.524    0.020
 HC6      HAB    CAB       single      1.092    0.020
 HC6      HABA   CAB       single      1.092    0.020
 HC6      CAF    OAE       single      1.426    0.020
 HC6      HAF    CAF       single      1.092    0.020
 HC6      HAFA   CAF       single      1.092    0.020
 HC6      OAE    CAD       single      1.426    0.020
 HC6      OBC    CAD       single      1.432    0.020
 HC6      CAD    CAG       single      1.500    0.020
 HC6      CAG    CAL       double      1.390    0.020
 HC6      CAG    CAH       single      1.390    0.020
 HC6      CAL    CAK       single      1.390    0.020
 HC6      HAL    CAL       single      1.083    0.020
 HC6      CAK    CAJ       double      1.390    0.020
 HC6      HAK    CAK       single      1.083    0.020
 HC6      CAH    CAI       double      1.390    0.020
 HC6      HAH    CAH       single      1.083    0.020
 HC6      CAI    CAJ       single      1.390    0.020
 HC6      HAI    CAI       single      1.083    0.020
 HC6      CAJ    CAM       single      1.487    0.020
 HC6      CAM    CAR       double      1.390    0.020
 HC6      CAM    CAN       single      1.390    0.020
 HC6      CAR    CAQ       single      1.390    0.020
 HC6      HAR    CAR       single      1.083    0.020
 HC6      CAQ    CAP       double      1.390    0.020
 HC6      HAQ    CAQ       single      1.083    0.020
 HC6      CAN    CAO       double      1.390    0.020
 HC6      HAN    CAN       single      1.083    0.020
 HC6      CAO    CAP       single      1.390    0.020
 HC6      HAO    CAO       single      1.083    0.020
 HC6      CAP    CAS       single      1.500    0.020
 HC6      CAS    OBD       single      1.432    0.020
 HC6      CAS    CAX       single      1.524    0.020
 HC6      OAT    CAS       single      1.426    0.020
 HC6      CAX    NAW       single      1.469    0.020
 HC6      HAX    CAX       single      1.092    0.020
 HC6      HAXA   CAX       single      1.092    0.020
 HC6      CAU    OAT       single      1.426    0.020
 HC6      CAV    CAU       single      1.524    0.020
 HC6      HAU    CAU       single      1.092    0.020
 HC6      HAUA   CAU       single      1.092    0.020
 HC6      NAW    CAV       single      1.469    0.020
 HC6      HAV    CAV       single      1.092    0.020
 HC6      HAVA   CAV       single      1.092    0.020
 HC6      CAZ    NAW       single      1.469    0.020
 HC6      CAY    NAW       single      1.469    0.020
 HC6      HAZ    CAZ       single      1.059    0.020
 HC6      HAZA   CAZ       single      1.059    0.020
 HC6      HAZB   CAZ       single      1.059    0.020
 HC6      HAY    CAY       single      1.059    0.020
 HC6      HAYA   CAY       single      1.059    0.020
 HC6      HAYB   CAY       single      1.059    0.020
 HC6      H33    OBC       single      0.967    0.020
 HC6      H34    OBD       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
 HC6      H34    OBD    CAS     109.470    3.000
 HC6      OBD    CAS    OAT     109.470    3.000
 HC6      OBD    CAS    CAP     109.500    3.000
 HC6      OBD    CAS    CAX     109.470    3.000
 HC6      OAT    CAS    CAP     109.500    3.000
 HC6      OAT    CAS    CAX     109.470    3.000
 HC6      CAP    CAS    CAX     109.500    3.000
 HC6      CAS    OAT    CAU     111.800    3.000
 HC6      OAT    CAU    HAU     109.470    3.000
 HC6      OAT    CAU    HAUA    109.470    3.000
 HC6      OAT    CAU    CAV     109.470    3.000
 HC6      HAU    CAU    HAUA    107.900    3.000
 HC6      HAU    CAU    CAV     109.470    3.000
 HC6      HAUA   CAU    CAV     109.470    3.000
 HC6      CAU    CAV    HAV     109.470    3.000
 HC6      CAU    CAV    HAVA    109.470    3.000
 HC6      CAU    CAV    NAW     109.470    3.000
 HC6      HAV    CAV    HAVA    107.900    3.000
 HC6      HAV    CAV    NAW     109.470    3.000
 HC6      HAVA   CAV    NAW     109.470    3.000
 HC6      CAV    NAW    CAY     109.470    3.000
 HC6      CAV    NAW    CAZ     109.470    3.000
 HC6      CAV    NAW    CAX     109.470    3.000
 HC6      CAY    NAW    CAZ     109.470    3.000
 HC6      CAY    NAW    CAX     109.470    3.000
 HC6      CAZ    NAW    CAX     109.470    3.000
 HC6      NAW    CAY    HAYB    109.470    3.000
 HC6      NAW    CAY    HAYA    109.470    3.000
 HC6      NAW    CAY    HAY     109.470    3.000
 HC6      HAYB   CAY    HAYA    109.470    3.000
 HC6      HAYB   CAY    HAY     109.470    3.000
 HC6      HAYA   CAY    HAY     109.470    3.000
 HC6      NAW    CAZ    HAZB    109.470    3.000
 HC6      NAW    CAZ    HAZA    109.470    3.000
 HC6      NAW    CAZ    HAZ     109.470    3.000
 HC6      HAZB   CAZ    HAZA    109.470    3.000
 HC6      HAZB   CAZ    HAZ     109.470    3.000
 HC6      HAZA   CAZ    HAZ     109.470    3.000
 HC6      NAW    CAX    HAXA    109.470    3.000
 HC6      NAW    CAX    HAX     109.470    3.000
 HC6      NAW    CAX    CAS     109.500    3.000
 HC6      HAXA   CAX    HAX     107.900    3.000
 HC6      HAXA   CAX    CAS     109.470    3.000
 HC6      HAX    CAX    CAS     109.470    3.000
 HC6      CAS    CAP    CAQ     120.000    3.000
 HC6      CAS    CAP    CAO     120.000    3.000
 HC6      CAQ    CAP    CAO     120.000    3.000
 HC6      CAP    CAQ    HAQ     120.000    3.000
 HC6      CAP    CAQ    CAR     120.000    3.000
 HC6      HAQ    CAQ    CAR     120.000    3.000
 HC6      CAQ    CAR    HAR     120.000    3.000
 HC6      CAQ    CAR    CAM     120.000    3.000
 HC6      HAR    CAR    CAM     120.000    3.000
 HC6      CAP    CAO    HAO     120.000    3.000
 HC6      CAP    CAO    CAN     120.000    3.000
 HC6      HAO    CAO    CAN     120.000    3.000
 HC6      CAO    CAN    HAN     120.000    3.000
 HC6      CAO    CAN    CAM     120.000    3.000
 HC6      HAN    CAN    CAM     120.000    3.000
 HC6      CAN    CAM    CAJ     120.000    3.000
 HC6      CAN    CAM    CAR     120.000    3.000
 HC6      CAJ    CAM    CAR     120.000    3.000
 HC6      CAM    CAJ    CAK     120.000    3.000
 HC6      CAM    CAJ    CAI     120.000    3.000
 HC6      CAK    CAJ    CAI     120.000    3.000
 HC6      CAJ    CAK    HAK     120.000    3.000
 HC6      CAJ    CAK    CAL     120.000    3.000
 HC6      HAK    CAK    CAL     120.000    3.000
 HC6      CAK    CAL    HAL     120.000    3.000
 HC6      CAK    CAL    CAG     120.000    3.000
 HC6      HAL    CAL    CAG     120.000    3.000
 HC6      CAJ    CAI    HAI     120.000    3.000
 HC6      CAJ    CAI    CAH     120.000    3.000
 HC6      HAI    CAI    CAH     120.000    3.000
 HC6      CAI    CAH    HAH     120.000    3.000
 HC6      CAI    CAH    CAG     120.000    3.000
 HC6      HAH    CAH    CAG     120.000    3.000
 HC6      CAH    CAG    CAD     120.000    3.000
 HC6      CAH    CAG    CAL     120.000    3.000
 HC6      CAD    CAG    CAL     120.000    3.000
 HC6      CAG    CAD    CAC     109.500    3.000
 HC6      CAG    CAD    OBC     109.500    3.000
 HC6      CAG    CAD    OAE     109.500    3.000
 HC6      CAC    CAD    OBC     109.470    3.000
 HC6      CAC    CAD    OAE     109.470    3.000
 HC6      OBC    CAD    OAE     109.470    3.000
 HC6      CAD    CAC    HACA    109.470    3.000
 HC6      CAD    CAC    HAC     109.470    3.000
 HC6      CAD    CAC    NAA     109.500    3.000
 HC6      HACA   CAC    HAC     107.900    3.000
 HC6      HACA   CAC    NAA     109.470    3.000
 HC6      HAC    CAC    NAA     109.470    3.000
 HC6      CAD    OBC    H33     109.470    3.000
 HC6      CAD    OAE    CAF     111.800    3.000
 HC6      OAE    CAF    HAF     109.470    3.000
 HC6      OAE    CAF    HAFA    109.470    3.000
 HC6      OAE    CAF    CAB     109.470    3.000
 HC6      HAF    CAF    HAFA    107.900    3.000
 HC6      HAF    CAF    CAB     109.470    3.000
 HC6      HAFA   CAF    CAB     109.470    3.000
 HC6      CAF    CAB    HAB     109.470    3.000
 HC6      CAF    CAB    HABA    109.470    3.000
 HC6      CAF    CAB    NAA     109.470    3.000
 HC6      HAB    CAB    HABA    107.900    3.000
 HC6      HAB    CAB    NAA     109.470    3.000
 HC6      HABA   CAB    NAA     109.470    3.000
 HC6      CAB    NAA    CBB     109.470    3.000
 HC6      CAB    NAA    CBA     109.470    3.000
 HC6      CAB    NAA    CAC     109.470    3.000
 HC6      CBB    NAA    CBA     109.470    3.000
 HC6      CBB    NAA    CAC     109.470    3.000
 HC6      CBA    NAA    CAC     109.470    3.000
 HC6      NAA    CBB    HBBB    109.470    3.000
 HC6      NAA    CBB    HBBA    109.470    3.000
 HC6      NAA    CBB    HBB     109.470    3.000
 HC6      HBBB   CBB    HBBA    109.470    3.000
 HC6      HBBB   CBB    HBB     109.470    3.000
 HC6      HBBA   CBB    HBB     109.470    3.000
 HC6      NAA    CBA    HBAB    109.470    3.000
 HC6      NAA    CBA    HBAA    109.470    3.000
 HC6      NAA    CBA    HBA     109.470    3.000
 HC6      HBAB   CBA    HBAA    109.470    3.000
 HC6      HBAB   CBA    HBA     109.470    3.000
 HC6      HBAA   CBA    HBA     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
 HC6      var_1    H34    OBD    CAS    CAP      -60.044   20.000   1
 HC6      var_2    OBD    CAS    CAX    NAW      -60.000   20.000   1
 HC6      var_3    OBD    CAS    OAT    CAU       60.000   20.000   1
 HC6      var_4    CAS    OAT    CAU    CAV       60.000   20.000   1
 HC6      var_5    OAT    CAU    CAV    NAW      -60.000   20.000   3
 HC6      var_6    CAU    CAV    NAW    CAX       60.000   20.000   1
 HC6      var_7    CAV    NAW    CAY    HAY      -59.998   20.000   1
 HC6      var_8    CAV    NAW    CAZ    HAZ      167.756   20.000   1
 HC6      var_9    CAV    NAW    CAX    CAS      -60.000   20.000   1
 HC6      var_10   OBD    CAS    CAP    CAO      150.171   20.000   1
 HC6      CONST_1  CAS    CAP    CAQ    CAR      180.000    0.000   0
 HC6      CONST_2  CAP    CAQ    CAR    CAM        0.000    0.000   0
 HC6      CONST_3  CAS    CAP    CAO    CAN      180.000    0.000   0
 HC6      CONST_4  CAP    CAO    CAN    CAM        0.000    0.000   0
 HC6      CONST_5  CAO    CAN    CAM    CAJ      180.000    0.000   0
 HC6      CONST_6  CAN    CAM    CAR    CAQ        0.000    0.000   0
 HC6      CONST_7  CAN    CAM    CAJ    CAI      180.000    0.000   0
 HC6      CONST_8  CAM    CAJ    CAK    CAL      180.000    0.000   0
 HC6      CONST_9  CAJ    CAK    CAL    CAG        0.000    0.000   0
 HC6      CONST_10 CAM    CAJ    CAI    CAH      180.000    0.000   0
 HC6      CONST_11 CAJ    CAI    CAH    CAG        0.000    0.000   0
 HC6      CONST_12 CAI    CAH    CAG    CAD      180.000    0.000   0
 HC6      CONST_13 CAH    CAG    CAL    CAK        0.000    0.000   0
 HC6      var_11   CAH    CAG    CAD    OAE       29.519   20.000   1
 HC6      var_12   CAG    CAD    CAC    NAA      180.000   20.000   1
 HC6      var_13   CAD    CAC    NAA    CAB      -60.000   20.000   1
 HC6      var_14   CAG    CAD    OBC    H33      -59.883   20.000   1
 HC6      var_15   CAG    CAD    OAE    CAF      180.000   20.000   1
 HC6      var_16   CAD    OAE    CAF    CAB       60.000   20.000   1
 HC6      var_17   OAE    CAF    CAB    NAA      -60.000   20.000   3
 HC6      var_18   CAF    CAB    NAA    CBA      -60.000   20.000   1
 HC6      var_19   CAB    NAA    CBB    HBB      -60.027   20.000   1
 HC6      var_20   CAB    NAA    CBA    HBA      167.780   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
 HC6      chir_01  NAA    CAC    CBA    CBB       negativ
 HC6      chir_02  CAD    CAC    OAE    OBC       positiv
 HC6      chir_03  CAS    CAP    OBD    CAX       negativ
 HC6      chir_04  NAW    CAX    CAV    CAZ       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
 HC6      plan-1    CAG       0.020
 HC6      plan-1    CAD       0.020
 HC6      plan-1    CAL       0.020
 HC6      plan-1    CAH       0.020
 HC6      plan-1    CAK       0.020
 HC6      plan-1    CAI       0.020
 HC6      plan-1    CAJ       0.020
 HC6      plan-1    HAL       0.020
 HC6      plan-1    HAK       0.020
 HC6      plan-1    HAH       0.020
 HC6      plan-1    HAI       0.020
 HC6      plan-1    CAM       0.020
 HC6      plan-2    CAM       0.020
 HC6      plan-2    CAJ       0.020
 HC6      plan-2    CAR       0.020
 HC6      plan-2    CAN       0.020
 HC6      plan-2    CAQ       0.020
 HC6      plan-2    CAO       0.020
 HC6      plan-2    CAP       0.020
 HC6      plan-2    HAR       0.020
 HC6      plan-2    HAQ       0.020
 HC6      plan-2    HAN       0.020
 HC6      plan-2    HAO       0.020
 HC6      plan-2    CAS       0.020
# ------------------------------------------------------
