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
G6H      G6H 'N-{4-methyl-3-[(3-{4-[(3,4,5-trimeth' non-polymer        74  46 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_G6H
#
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
 G6H           FBN    F    F         0.000      0.000    0.000    0.000
 G6H           CBK    C    CT        0.000     -0.145    1.347    0.350
 G6H           FBL    F    F         0.000      0.063    2.148   -0.778
 G6H           FBM    F    F         0.000      0.792    1.675    1.335
 G6H           CBI    C    CR6       0.000     -1.535    1.579    0.883
 G6H           CBJ    C    CR16      0.000     -2.586    0.809    0.427
 G6H           HBJ    H    H         0.000     -2.412    0.038   -0.314
 G6H           CBH    C    CR16      0.000     -1.757    2.565    1.827
 G6H           HBH    H    H         0.000     -0.929    3.164    2.185
 G6H           CBG    C    CR16      0.000     -3.031    2.791    2.318
 G6H           HBG    H    H         0.000     -3.197    3.567    3.054
 G6H           CBF    C    CR16      0.000     -4.090    2.027    1.870
 G6H           HBF    H    H         0.000     -5.087    2.204    2.254
 G6H           CBE    C    CR6       0.000     -3.873    1.027    0.921
 G6H           CBC    C    C         0.000     -5.002    0.205    0.436
 G6H           OBD    O    O         0.000     -4.810   -0.662   -0.394
 G6H           NBB    N    NH1       0.000     -6.244    0.417    0.915
 G6H           HNBB   H    H         0.000     -6.421    1.199    1.529
 G6H           CAW    C    CR6       0.000     -7.286   -0.445    0.563
 G6H           CAV    C    CR16      0.000     -8.583    0.038    0.459
 G6H           HAV    H    H         0.000     -8.790    1.084    0.652
 G6H           CAX    C    CR16      0.000     -7.025   -1.788    0.317
 G6H           HAX    H    H         0.000     -6.012   -2.165    0.393
 G6H           CAY    C    CR16      0.000     -8.056   -2.642   -0.026
 G6H           HAY    H    H         0.000     -7.851   -3.689   -0.213
 G6H           CAZ    C    CR6       0.000     -9.348   -2.164   -0.131
 G6H           CBA    C    CH3       0.000    -10.468   -3.100   -0.504
 G6H           HBAB   H    H         0.000    -10.244   -4.075   -0.158
 G6H           HBAA   H    H         0.000    -11.370   -2.766   -0.061
 G6H           HBA    H    H         0.000    -10.578   -3.116   -1.558
 G6H           CAU    C    CR6       0.000     -9.614   -0.821    0.108
 G6H           NAT    N    NH1       0.000    -10.922   -0.338    0.003
 G6H           HNAT   H    H         0.000    -11.701   -0.931    0.249
 G6H           CAS    C    CR6       0.000    -11.149    0.956   -0.440
 G6H           NAR    N    NRD6      0.000    -10.126    1.773   -0.636
 G6H           CAQ    C    CR16      0.000    -10.298    3.013   -1.050
 G6H           HAQ    H    H         0.000     -9.435    3.651   -1.194
 G6H           CAP    C    CR16      0.000    -11.562    3.514   -1.304
 G6H           HAP    H    H         0.000    -11.687    4.534   -1.644
 G6H           CAO    C    CR16      0.000    -12.667    2.700   -1.121
 G6H           HAO    H    H         0.000    -13.667    3.070   -1.313
 G6H           CAN    C    CR6       0.000    -12.461    1.390   -0.682
 G6H           CAJ    C    CR6       0.000    -13.608    0.477   -0.470
 G6H           NAI    N    NRD6      0.000    -14.834    0.857   -0.819
 G6H           NAK    N    NRD6      0.000    -13.413   -0.725    0.070
 G6H           CAL    C    CR16      0.000    -14.436   -1.538    0.263
 G6H           HAL    H    H         0.000    -14.276   -2.513    0.706
 G6H           NAM    N    NRD6      0.000    -15.656   -1.164   -0.082
 G6H           CAH    C    CR6       0.000    -15.859    0.034   -0.627
 G6H           NAG    N    NH1       0.000    -17.134    0.422   -0.988
 G6H           HNAG   H    H         0.000    -17.292    1.345   -1.366
 G6H           CAD    C    CR6       0.000    -18.207   -0.464   -0.831
 G6H           CAC    C    CR16      0.000    -18.024   -1.822   -1.054
 G6H           HAC    H    H         0.000    -17.052   -2.196   -1.350
 G6H           CAE    C    CR16      0.000    -19.453    0.016   -0.450
 G6H           HAE    H    H         0.000    -19.593    1.075   -0.271
 G6H           CAF    C    CR6       0.000    -20.517   -0.860   -0.298
 G6H           OBS    O    O2        0.000    -21.738   -0.389    0.070
 G6H           CBT    C    CH3       0.000    -21.853    1.020    0.283
 G6H           HBTB   H    H         0.000    -21.189    1.316    1.054
 G6H           HBTA   H    H         0.000    -21.608    1.534   -0.610
 G6H           HBT    H    H         0.000    -22.846    1.255    0.564
 G6H           CAA    C    CR6       0.000    -20.334   -2.220   -0.522
 G6H           OBO    O    O2        0.000    -21.379   -3.080   -0.372
 G6H           CBR    C    CH3       0.000    -21.569   -3.651    0.924
 G6H           HBRB   H    H         0.000    -21.734   -2.878    1.630
 G6H           HBRA   H    H         0.000    -22.408   -4.297    0.907
 G6H           HBR    H    H         0.000    -20.706   -4.200    1.199
 G6H           CAB    C    CR6       0.000    -19.085   -2.700   -0.898
 G6H           OBP    O    O2        0.000    -18.906   -4.030   -1.117
 G6H           CBQ    C    CH3       0.000    -17.598   -4.453   -1.506
 G6H           HBQB   H    H         0.000    -16.903   -4.193   -0.750
 G6H           HBQA   H    H         0.000    -17.592   -5.503   -1.646
 G6H           HBQ    H    H         0.000    -17.328   -3.976   -2.413
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
 G6H      FBN    n/a    CBK    START
 G6H      CBK    FBN    CBI    .
 G6H      FBL    CBK    .      .
 G6H      FBM    CBK    .      .
 G6H      CBI    CBK    CBH    .
 G6H      CBJ    CBI    HBJ    .
 G6H      HBJ    CBJ    .      .
 G6H      CBH    CBI    CBG    .
 G6H      HBH    CBH    .      .
 G6H      CBG    CBH    CBF    .
 G6H      HBG    CBG    .      .
 G6H      CBF    CBG    CBE    .
 G6H      HBF    CBF    .      .
 G6H      CBE    CBF    CBC    .
 G6H      CBC    CBE    NBB    .
 G6H      OBD    CBC    .      .
 G6H      NBB    CBC    CAW    .
 G6H      HNBB   NBB    .      .
 G6H      CAW    NBB    CAX    .
 G6H      CAV    CAW    HAV    .
 G6H      HAV    CAV    .      .
 G6H      CAX    CAW    CAY    .
 G6H      HAX    CAX    .      .
 G6H      CAY    CAX    CAZ    .
 G6H      HAY    CAY    .      .
 G6H      CAZ    CAY    CAU    .
 G6H      CBA    CAZ    HBA    .
 G6H      HBAB   CBA    .      .
 G6H      HBAA   CBA    .      .
 G6H      HBA    CBA    .      .
 G6H      CAU    CAZ    NAT    .
 G6H      NAT    CAU    CAS    .
 G6H      HNAT   NAT    .      .
 G6H      CAS    NAT    CAN    .
 G6H      NAR    CAS    CAQ    .
 G6H      CAQ    NAR    CAP    .
 G6H      HAQ    CAQ    .      .
 G6H      CAP    CAQ    CAO    .
 G6H      HAP    CAP    .      .
 G6H      CAO    CAP    HAO    .
 G6H      HAO    CAO    .      .
 G6H      CAN    CAS    CAJ    .
 G6H      CAJ    CAN    NAK    .
 G6H      NAI    CAJ    .      .
 G6H      NAK    CAJ    CAL    .
 G6H      CAL    NAK    NAM    .
 G6H      HAL    CAL    .      .
 G6H      NAM    CAL    CAH    .
 G6H      CAH    NAM    NAG    .
 G6H      NAG    CAH    CAD    .
 G6H      HNAG   NAG    .      .
 G6H      CAD    NAG    CAE    .
 G6H      CAC    CAD    HAC    .
 G6H      HAC    CAC    .      .
 G6H      CAE    CAD    CAF    .
 G6H      HAE    CAE    .      .
 G6H      CAF    CAE    CAA    .
 G6H      OBS    CAF    CBT    .
 G6H      CBT    OBS    HBT    .
 G6H      HBTB   CBT    .      .
 G6H      HBTA   CBT    .      .
 G6H      HBT    CBT    .      .
 G6H      CAA    CAF    CAB    .
 G6H      OBO    CAA    CBR    .
 G6H      CBR    OBO    HBR    .
 G6H      HBRB   CBR    .      .
 G6H      HBRA   CBR    .      .
 G6H      HBR    CBR    .      .
 G6H      CAB    CAA    OBP    .
 G6H      OBP    CAB    CBQ    .
 G6H      CBQ    OBP    HBQ    .
 G6H      HBQB   CBQ    .      .
 G6H      HBQA   CBQ    .      .
 G6H      HBQ    CBQ    .      END
 G6H      CAB    CAC    .    ADD
 G6H      CAH    NAI    .    ADD
 G6H      CAN    CAO    .    ADD
 G6H      CAU    CAV    .    ADD
 G6H      CBE    CBJ    .    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
 G6H      CBQ    OBP       single      1.426    0.020
 G6H      OBP    CAB       single      1.370    0.020
 G6H      CAB    CAC       double      1.390    0.020
 G6H      CAB    CAA       single      1.487    0.020
 G6H      CAC    CAD       single      1.390    0.020
 G6H      OBO    CAA       single      1.370    0.020
 G6H      CAA    CAF       double      1.487    0.020
 G6H      CBR    OBO       single      1.426    0.020
 G6H      OBS    CAF       single      1.370    0.020
 G6H      CAF    CAE       single      1.390    0.020
 G6H      CBT    OBS       single      1.426    0.020
 G6H      CAE    CAD       double      1.390    0.020
 G6H      CAD    NAG       single      1.350    0.020
 G6H      NAG    CAH       single      1.350    0.020
 G6H      CAH    NAI       double      1.350    0.020
 G6H      CAH    NAM       single      1.350    0.020
 G6H      NAI    CAJ       single      1.350    0.020
 G6H      NAM    CAL       double      1.337    0.020
 G6H      CAL    NAK       single      1.337    0.020
 G6H      NAK    CAJ       double      1.350    0.020
 G6H      CAJ    CAN       single      1.487    0.020
 G6H      CAN    CAO       double      1.390    0.020
 G6H      CAN    CAS       single      1.487    0.020
 G6H      CAO    CAP       single      1.390    0.020
 G6H      CAP    CAQ       double      1.390    0.020
 G6H      CAQ    NAR       single      1.337    0.020
 G6H      NAR    CAS       double      1.350    0.020
 G6H      CAS    NAT       single      1.350    0.020
 G6H      NAT    CAU       single      1.350    0.020
 G6H      CAU    CAV       double      1.390    0.020
 G6H      CAU    CAZ       single      1.487    0.020
 G6H      CAV    CAW       single      1.390    0.020
 G6H      CBA    CAZ       single      1.506    0.020
 G6H      CAZ    CAY       double      1.390    0.020
 G6H      CAY    CAX       single      1.390    0.020
 G6H      CAX    CAW       double      1.390    0.020
 G6H      CAW    NBB       single      1.350    0.020
 G6H      NBB    CBC       single      1.330    0.020
 G6H      OBD    CBC       double      1.220    0.020
 G6H      CBC    CBE       single      1.500    0.020
 G6H      CBE    CBJ       double      1.390    0.020
 G6H      CBE    CBF       single      1.390    0.020
 G6H      CBJ    CBI       single      1.390    0.020
 G6H      CBF    CBG       double      1.390    0.020
 G6H      CBG    CBH       single      1.390    0.020
 G6H      CBH    CBI       double      1.390    0.020
 G6H      CBI    CBK       single      1.500    0.020
 G6H      FBL    CBK       single      1.320    0.020
 G6H      FBM    CBK       single      1.320    0.020
 G6H      CBK    FBN       single      1.320    0.020
 G6H      HBQ    CBQ       single      1.059    0.020
 G6H      HBQA   CBQ       single      1.059    0.020
 G6H      HBQB   CBQ       single      1.059    0.020
 G6H      HAC    CAC       single      1.083    0.020
 G6H      HBR    CBR       single      1.059    0.020
 G6H      HBRA   CBR       single      1.059    0.020
 G6H      HBRB   CBR       single      1.059    0.020
 G6H      HBT    CBT       single      1.059    0.020
 G6H      HBTA   CBT       single      1.059    0.020
 G6H      HBTB   CBT       single      1.059    0.020
 G6H      HAE    CAE       single      1.083    0.020
 G6H      HNAG   NAG       single      1.010    0.020
 G6H      HAL    CAL       single      1.083    0.020
 G6H      HAO    CAO       single      1.083    0.020
 G6H      HAP    CAP       single      1.083    0.020
 G6H      HAQ    CAQ       single      1.083    0.020
 G6H      HNAT   NAT       single      1.010    0.020
 G6H      HAV    CAV       single      1.083    0.020
 G6H      HBA    CBA       single      1.059    0.020
 G6H      HBAA   CBA       single      1.059    0.020
 G6H      HBAB   CBA       single      1.059    0.020
 G6H      HAY    CAY       single      1.083    0.020
 G6H      HAX    CAX       single      1.083    0.020
 G6H      HNBB   NBB       single      1.010    0.020
 G6H      HBJ    CBJ       single      1.083    0.020
 G6H      HBF    CBF       single      1.083    0.020
 G6H      HBG    CBG       single      1.083    0.020
 G6H      HBH    CBH       single      1.083    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
 G6H      FBN    CBK    FBL     109.470    3.000
 G6H      FBN    CBK    FBM     109.470    3.000
 G6H      FBN    CBK    CBI     109.470    3.000
 G6H      FBL    CBK    FBM     109.470    3.000
 G6H      FBL    CBK    CBI     109.470    3.000
 G6H      FBM    CBK    CBI     109.470    3.000
 G6H      CBK    CBI    CBJ     120.000    3.000
 G6H      CBK    CBI    CBH     120.000    3.000
 G6H      CBJ    CBI    CBH     120.000    3.000
 G6H      CBI    CBJ    HBJ     120.000    3.000
 G6H      CBI    CBJ    CBE     120.000    3.000
 G6H      HBJ    CBJ    CBE     120.000    3.000
 G6H      CBI    CBH    HBH     120.000    3.000
 G6H      CBI    CBH    CBG     120.000    3.000
 G6H      HBH    CBH    CBG     120.000    3.000
 G6H      CBH    CBG    HBG     120.000    3.000
 G6H      CBH    CBG    CBF     120.000    3.000
 G6H      HBG    CBG    CBF     120.000    3.000
 G6H      CBG    CBF    HBF     120.000    3.000
 G6H      CBG    CBF    CBE     120.000    3.000
 G6H      HBF    CBF    CBE     120.000    3.000
 G6H      CBF    CBE    CBC     120.000    3.000
 G6H      CBF    CBE    CBJ     120.000    3.000
 G6H      CBC    CBE    CBJ     120.000    3.000
 G6H      CBE    CBC    OBD     120.500    3.000
 G6H      CBE    CBC    NBB     120.000    3.000
 G6H      OBD    CBC    NBB     123.000    3.000
 G6H      CBC    NBB    HNBB    120.000    3.000
 G6H      CBC    NBB    CAW     120.000    3.000
 G6H      HNBB   NBB    CAW     120.000    3.000
 G6H      NBB    CAW    CAV     120.000    3.000
 G6H      NBB    CAW    CAX     120.000    3.000
 G6H      CAV    CAW    CAX     120.000    3.000
 G6H      CAW    CAV    HAV     120.000    3.000
 G6H      CAW    CAV    CAU     120.000    3.000
 G6H      HAV    CAV    CAU     120.000    3.000
 G6H      CAW    CAX    HAX     120.000    3.000
 G6H      CAW    CAX    CAY     120.000    3.000
 G6H      HAX    CAX    CAY     120.000    3.000
 G6H      CAX    CAY    HAY     120.000    3.000
 G6H      CAX    CAY    CAZ     120.000    3.000
 G6H      HAY    CAY    CAZ     120.000    3.000
 G6H      CAY    CAZ    CBA     120.000    3.000
 G6H      CAY    CAZ    CAU     120.000    3.000
 G6H      CBA    CAZ    CAU     120.000    3.000
 G6H      CAZ    CBA    HBAB    109.470    3.000
 G6H      CAZ    CBA    HBAA    109.470    3.000
 G6H      CAZ    CBA    HBA     109.470    3.000
 G6H      HBAB   CBA    HBAA    109.470    3.000
 G6H      HBAB   CBA    HBA     109.470    3.000
 G6H      HBAA   CBA    HBA     109.470    3.000
 G6H      CAZ    CAU    NAT     120.000    3.000
 G6H      CAZ    CAU    CAV     120.000    3.000
 G6H      NAT    CAU    CAV     120.000    3.000
 G6H      CAU    NAT    HNAT    120.000    3.000
 G6H      CAU    NAT    CAS     120.000    3.000
 G6H      HNAT   NAT    CAS     120.000    3.000
 G6H      NAT    CAS    NAR     120.000    3.000
 G6H      NAT    CAS    CAN     120.000    3.000
 G6H      NAR    CAS    CAN     120.000    3.000
 G6H      CAS    NAR    CAQ     120.000    3.000
 G6H      NAR    CAQ    HAQ     120.000    3.000
 G6H      NAR    CAQ    CAP     120.000    3.000
 G6H      HAQ    CAQ    CAP     120.000    3.000
 G6H      CAQ    CAP    HAP     120.000    3.000
 G6H      CAQ    CAP    CAO     120.000    3.000
 G6H      HAP    CAP    CAO     120.000    3.000
 G6H      CAP    CAO    HAO     120.000    3.000
 G6H      CAP    CAO    CAN     120.000    3.000
 G6H      HAO    CAO    CAN     120.000    3.000
 G6H      CAS    CAN    CAJ     120.000    3.000
 G6H      CAS    CAN    CAO     120.000    3.000
 G6H      CAJ    CAN    CAO     120.000    3.000
 G6H      CAN    CAJ    NAI     120.000    3.000
 G6H      CAN    CAJ    NAK     120.000    3.000
 G6H      NAI    CAJ    NAK     120.000    3.000
 G6H      CAJ    NAI    CAH     120.000    3.000
 G6H      CAJ    NAK    CAL     120.000    3.000
 G6H      NAK    CAL    HAL     120.000    3.000
 G6H      NAK    CAL    NAM     120.000    3.000
 G6H      HAL    CAL    NAM     120.000    3.000
 G6H      CAL    NAM    CAH     120.000    3.000
 G6H      NAM    CAH    NAG     120.000    3.000
 G6H      NAM    CAH    NAI     120.000    3.000
 G6H      NAG    CAH    NAI     120.000    3.000
 G6H      CAH    NAG    HNAG    120.000    3.000
 G6H      CAH    NAG    CAD     120.000    3.000
 G6H      HNAG   NAG    CAD     120.000    3.000
 G6H      NAG    CAD    CAC     120.000    3.000
 G6H      NAG    CAD    CAE     120.000    3.000
 G6H      CAC    CAD    CAE     120.000    3.000
 G6H      CAD    CAC    HAC     120.000    3.000
 G6H      CAD    CAC    CAB     120.000    3.000
 G6H      HAC    CAC    CAB     120.000    3.000
 G6H      CAD    CAE    HAE     120.000    3.000
 G6H      CAD    CAE    CAF     120.000    3.000
 G6H      HAE    CAE    CAF     120.000    3.000
 G6H      CAE    CAF    OBS     120.000    3.000
 G6H      CAE    CAF    CAA     120.000    3.000
 G6H      OBS    CAF    CAA     120.000    3.000
 G6H      CAF    OBS    CBT     120.000    3.000
 G6H      OBS    CBT    HBTB    109.470    3.000
 G6H      OBS    CBT    HBTA    109.470    3.000
 G6H      OBS    CBT    HBT     109.470    3.000
 G6H      HBTB   CBT    HBTA    109.470    3.000
 G6H      HBTB   CBT    HBT     109.470    3.000
 G6H      HBTA   CBT    HBT     109.470    3.000
 G6H      CAF    CAA    OBO     120.000    3.000
 G6H      CAF    CAA    CAB     120.000    3.000
 G6H      OBO    CAA    CAB     120.000    3.000
 G6H      CAA    OBO    CBR     120.000    3.000
 G6H      OBO    CBR    HBRB    109.470    3.000
 G6H      OBO    CBR    HBRA    109.470    3.000
 G6H      OBO    CBR    HBR     109.470    3.000
 G6H      HBRB   CBR    HBRA    109.470    3.000
 G6H      HBRB   CBR    HBR     109.470    3.000
 G6H      HBRA   CBR    HBR     109.470    3.000
 G6H      CAA    CAB    OBP     120.000    3.000
 G6H      CAA    CAB    CAC     120.000    3.000
 G6H      OBP    CAB    CAC     120.000    3.000
 G6H      CAB    OBP    CBQ     120.000    3.000
 G6H      OBP    CBQ    HBQB    109.470    3.000
 G6H      OBP    CBQ    HBQA    109.470    3.000
 G6H      OBP    CBQ    HBQ     109.470    3.000
 G6H      HBQB   CBQ    HBQA    109.470    3.000
 G6H      HBQB   CBQ    HBQ     109.470    3.000
 G6H      HBQA   CBQ    HBQ     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
 G6H      var_1    FBN    CBK    CBI    CBH      149.987   20.000   1
 G6H      CONST_1  CBK    CBI    CBJ    CBE      180.000    0.000   0
 G6H      CONST_2  CBK    CBI    CBH    CBG      180.000    0.000   0
 G6H      CONST_3  CBI    CBH    CBG    CBF        0.000    0.000   0
 G6H      CONST_4  CBH    CBG    CBF    CBE        0.000    0.000   0
 G6H      CONST_5  CBG    CBF    CBE    CBC      180.000    0.000   0
 G6H      CONST_6  CBF    CBE    CBJ    CBI        0.000    0.000   0
 G6H      var_2    CBF    CBE    CBC    NBB       -0.293   20.000   1
 G6H      CONST_7  CBE    CBC    NBB    CAW      180.000    0.000   0
 G6H      var_3    CBC    NBB    CAW    CAX       31.596   20.000   1
 G6H      CONST_8  NBB    CAW    CAV    CAU      180.000    0.000   0
 G6H      CONST_9  NBB    CAW    CAX    CAY      180.000    0.000   0
 G6H      CONST_10 CAW    CAX    CAY    CAZ        0.000    0.000   0
 G6H      CONST_11 CAX    CAY    CAZ    CAU        0.000    0.000   0
 G6H      var_4    CAY    CAZ    CBA    HBA      -90.043   20.000   1
 G6H      CONST_12 CAY    CAZ    CAU    NAT      180.000    0.000   0
 G6H      CONST_13 CAZ    CAU    CAV    CAW        0.000    0.000   0
 G6H      var_5    CAZ    CAU    NAT    CAS     -146.920   20.000   1
 G6H      var_6    CAU    NAT    CAS    CAN      173.132   20.000   1
 G6H      CONST_14 NAT    CAS    NAR    CAQ      180.000    0.000   0
 G6H      CONST_15 CAS    NAR    CAQ    CAP        0.000    0.000   0
 G6H      CONST_16 NAR    CAQ    CAP    CAO        0.000    0.000   0
 G6H      CONST_17 CAQ    CAP    CAO    CAN        0.000    0.000   0
 G6H      CONST_18 NAT    CAS    CAN    CAJ        0.000    0.000   0
 G6H      CONST_19 CAS    CAN    CAO    CAP        0.000    0.000   0
 G6H      CONST_20 CAS    CAN    CAJ    NAK        0.000    0.000   0
 G6H      CONST_21 CAN    CAJ    NAI    CAH      180.000    0.000   0
 G6H      CONST_22 CAN    CAJ    NAK    CAL      180.000    0.000   0
 G6H      CONST_23 CAJ    NAK    CAL    NAM        0.000    0.000   0
 G6H      CONST_24 NAK    CAL    NAM    CAH        0.000    0.000   0
 G6H      CONST_25 CAL    NAM    CAH    NAG      180.000    0.000   0
 G6H      CONST_26 NAM    CAH    NAI    CAJ        0.000    0.000   0
 G6H      var_7    NAM    CAH    NAG    CAD       -2.549   20.000   1
 G6H      var_8    CAH    NAG    CAD    CAE      143.641   20.000   1
 G6H      CONST_27 NAG    CAD    CAC    CAB      180.000    0.000   0
 G6H      CONST_28 NAG    CAD    CAE    CAF      180.000    0.000   0
 G6H      CONST_29 CAD    CAE    CAF    CAA        0.000    0.000   0
 G6H      var_9    CAE    CAF    OBS    CBT       -0.015   20.000   1
 G6H      var_10   CAF    OBS    CBT    HBT     -179.932   20.000   1
 G6H      CONST_30 CAE    CAF    CAA    CAB        0.000    0.000   0
 G6H      var_11   CAF    CAA    OBO    CBR      -90.030   20.000   1
 G6H      var_12   CAA    OBO    CBR    HBR      -59.959   20.000   1
 G6H      CONST_31 CAF    CAA    CAB    OBP      180.000    0.000   0
 G6H      CONST_32 CAA    CAB    CAC    CAD        0.000    0.000   0
 G6H      var_13   CAA    CAB    OBP    CBQ      179.719   20.000   1
 G6H      var_14   CAB    OBP    CBQ    HBQ      -59.946   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
 G6H      chir_01  CBK    CBI    FBL    FBM       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
 G6H      plan-1    CAB       0.020
 G6H      plan-1    OBP       0.020
 G6H      plan-1    CAC       0.020
 G6H      plan-1    CAA       0.020
 G6H      plan-1    CAF       0.020
 G6H      plan-1    CAE       0.020
 G6H      plan-1    CAD       0.020
 G6H      plan-1    HAC       0.020
 G6H      plan-1    OBO       0.020
 G6H      plan-1    OBS       0.020
 G6H      plan-1    HAE       0.020
 G6H      plan-1    NAG       0.020
 G6H      plan-1    HNAG      0.020
 G6H      plan-2    NAG       0.020
 G6H      plan-2    CAD       0.020
 G6H      plan-2    CAH       0.020
 G6H      plan-2    HNAG      0.020
 G6H      plan-3    CAH       0.020
 G6H      plan-3    NAG       0.020
 G6H      plan-3    NAI       0.020
 G6H      plan-3    NAM       0.020
 G6H      plan-3    CAL       0.020
 G6H      plan-3    NAK       0.020
 G6H      plan-3    CAJ       0.020
 G6H      plan-3    HAL       0.020
 G6H      plan-3    CAN       0.020
 G6H      plan-3    HNAG      0.020
 G6H      plan-4    CAN       0.020
 G6H      plan-4    CAJ       0.020
 G6H      plan-4    CAO       0.020
 G6H      plan-4    CAS       0.020
 G6H      plan-4    CAP       0.020
 G6H      plan-4    CAQ       0.020
 G6H      plan-4    NAR       0.020
 G6H      plan-4    HAO       0.020
 G6H      plan-4    HAP       0.020
 G6H      plan-4    HAQ       0.020
 G6H      plan-4    NAT       0.020
 G6H      plan-4    HNAT      0.020
 G6H      plan-5    NAT       0.020
 G6H      plan-5    CAS       0.020
 G6H      plan-5    CAU       0.020
 G6H      plan-5    HNAT      0.020
 G6H      plan-6    CAU       0.020
 G6H      plan-6    NAT       0.020
 G6H      plan-6    CAV       0.020
 G6H      plan-6    CAZ       0.020
 G6H      plan-6    CAY       0.020
 G6H      plan-6    CAX       0.020
 G6H      plan-6    CAW       0.020
 G6H      plan-6    HAV       0.020
 G6H      plan-6    CBA       0.020
 G6H      plan-6    HAY       0.020
 G6H      plan-6    HAX       0.020
 G6H      plan-6    NBB       0.020
 G6H      plan-6    HNAT      0.020
 G6H      plan-6    HNBB      0.020
 G6H      plan-7    NBB       0.020
 G6H      plan-7    CAW       0.020
 G6H      plan-7    CBC       0.020
 G6H      plan-7    HNBB      0.020
 G6H      plan-8    CBC       0.020
 G6H      plan-8    NBB       0.020
 G6H      plan-8    OBD       0.020
 G6H      plan-8    CBE       0.020
 G6H      plan-8    HNBB      0.020
 G6H      plan-9    CBE       0.020
 G6H      plan-9    CBC       0.020
 G6H      plan-9    CBJ       0.020
 G6H      plan-9    CBF       0.020
 G6H      plan-9    CBG       0.020
 G6H      plan-9    CBH       0.020
 G6H      plan-9    CBI       0.020
 G6H      plan-9    HBJ       0.020
 G6H      plan-9    HBF       0.020
 G6H      plan-9    HBG       0.020
 G6H      plan-9    HBH       0.020
 G6H      plan-9    CBK       0.020
# ------------------------------------------------------
