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
X6D      X6D '6-BROMO-7-[4-(4-CHLOROBENZYL)PIPERAZ' non-polymer        67  37 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_X6D
#
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
 X6D           CL     CL   CL        0.000      0.000    0.000    0.000
 X6D           CAZ    C    CR6       0.000     -1.482   -0.782   -0.454
 X6D           CAC    C    CR16      0.000     -2.546   -0.032   -0.918
 X6D           HAC    H    H         0.000     -2.455    1.044   -1.000
 X6D           CAE    C    CR16      0.000     -3.726   -0.654   -1.278
 X6D           HAE    H    H         0.000     -4.560   -0.066   -1.640
 X6D           CAD    C    CR16      0.000     -1.598   -2.156   -0.349
 X6D           HAD    H    H         0.000     -0.764   -2.745    0.011
 X6D           CAF    C    CR16      0.000     -2.780   -2.778   -0.706
 X6D           HAF    H    H         0.000     -2.874   -3.854   -0.618
 X6D           CBA    C    CR6       0.000     -3.842   -2.028   -1.175
 X6D           CAU    C    CH2       0.000     -5.129   -2.707   -1.567
 X6D           HAU1   H    H         0.000     -5.966   -2.029   -1.390
 X6D           HAU2   H    H         0.000     -5.261   -3.611   -0.968
 X6D           NBJ    N    NT        0.000     -5.079   -3.065   -2.991
 X6D           CAP    C    CH2       0.000     -6.206   -3.934   -3.356
 X6D           HAP1   H    H         0.000     -6.213   -4.813   -2.708
 X6D           HAP2   H    H         0.000     -6.101   -4.250   -4.396
 X6D           CAR    C    CH2       0.000     -7.518   -3.163   -3.185
 X6D           HAR2   H    H         0.000     -7.636   -2.872   -2.140
 X6D           HAR1   H    H         0.000     -8.355   -3.798   -3.482
 X6D           CAQ    C    CH2       0.000     -5.050   -1.863   -3.836
 X6D           HAQ1   H    H         0.000     -4.931   -2.155   -4.881
 X6D           HAQ2   H    H         0.000     -4.212   -1.229   -3.539
 X6D           CAS    C    CH2       0.000     -6.361   -1.092   -3.666
 X6D           HAS1   H    H         0.000     -6.353   -0.213   -4.314
 X6D           HAS2   H    H         0.000     -6.465   -0.775   -2.626
 X6D           NBK    N    NT        0.000     -7.488   -1.961   -4.030
 X6D           CBF    C    CR6       0.000     -8.694   -1.270   -3.957
 X6D           CBC    C    CR6       0.000     -9.487   -1.093   -5.085
 X6D           BR     BR   BR        0.000     -8.940   -1.789   -6.756
 X6D           CAK    C    CR16      0.000    -10.678   -0.396   -4.977
 X6D           HAK    H    H         0.000    -11.291   -0.254   -5.859
 X6D           NAV    N    NRD6      0.000    -11.082    0.100   -3.824
 X6D           CBG    C    CR56      0.000    -10.371   -0.043   -2.715
 X6D           NAX    N    NR15      0.000    -10.554    0.363   -1.410
 X6D           HAX    H    H         0.000    -11.362    0.905   -1.041
 X6D           CBH    C    CR56      0.000     -9.149   -0.735   -2.737
 X6D           NAW    N    NRD5      0.000     -8.651   -0.722   -1.479
 X6D           CBE    C    CR5       0.000     -9.475   -0.080   -0.690
 X6D           CBD    C    CR6       0.000     -9.270    0.141    0.759
 X6D           CAI    C    CR16      0.000     -8.128   -0.357    1.388
 X6D           HAI    H    H         0.000     -7.390   -0.907    0.817
 X6D           CAG    C    CR16      0.000     -7.943   -0.147    2.739
 X6D           HAG    H    H         0.000     -7.057   -0.533    3.229
 X6D           CAJ    C    CR16      0.000    -10.219    0.844    1.501
 X6D           HAJ    H    H         0.000    -11.109    1.230    1.018
 X6D           CAH    C    CR16      0.000    -10.021    1.047    2.851
 X6D           HAH    H    H         0.000    -10.757    1.592    3.429
 X6D           CBB    C    CR6       0.000     -8.885    0.555    3.469
 X6D           CAT    C    CH2       0.000     -8.676    0.780    4.945
 X6D           HAT1   H    H         0.000     -8.103   -0.052    5.361
 X6D           HAT2   H    H         0.000     -9.645    0.839    5.444
 X6D           NBI    N    NT        0.000     -7.940    2.034    5.149
 X6D           CAN    C    CH2       0.000     -7.510    2.170    6.548
 X6D           HAN2   H    H         0.000     -6.892    1.313    6.826
 X6D           HAN1   H    H         0.000     -8.387    2.210    7.198
 X6D           CAO    C    CH2       0.000     -8.747    3.192    4.737
 X6D           HAO1   H    H         0.000     -9.645    3.251    5.356
 X6D           HAO2   H    H         0.000     -9.036    3.083    3.690
 X6D           CAM    C    CH2       0.000     -7.922    4.469    4.911
 X6D           HAM1   H    H         0.000     -8.535    5.337    4.658
 X6D           HAM2   H    H         0.000     -7.053    4.435    4.251
 X6D           OAY    O    O2        0.000     -7.488    4.570    6.270
 X6D           CAL    C    CH2       0.000     -6.698    3.459    6.704
 X6D           HAL2   H    H         0.000     -6.423    3.593    7.752
 X6D           HAL1   H    H         0.000     -5.792    3.395    6.097
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
 X6D      CL     n/a    CAZ    START
 X6D      CAZ    CL     CAD    .
 X6D      CAC    CAZ    CAE    .
 X6D      HAC    CAC    .      .
 X6D      CAE    CAC    HAE    .
 X6D      HAE    CAE    .      .
 X6D      CAD    CAZ    CAF    .
 X6D      HAD    CAD    .      .
 X6D      CAF    CAD    CBA    .
 X6D      HAF    CAF    .      .
 X6D      CBA    CAF    CAU    .
 X6D      CAU    CBA    NBJ    .
 X6D      HAU1   CAU    .      .
 X6D      HAU2   CAU    .      .
 X6D      NBJ    CAU    CAQ    .
 X6D      CAP    NBJ    CAR    .
 X6D      HAP1   CAP    .      .
 X6D      HAP2   CAP    .      .
 X6D      CAR    CAP    HAR1   .
 X6D      HAR2   CAR    .      .
 X6D      HAR1   CAR    .      .
 X6D      CAQ    NBJ    CAS    .
 X6D      HAQ1   CAQ    .      .
 X6D      HAQ2   CAQ    .      .
 X6D      CAS    CAQ    NBK    .
 X6D      HAS1   CAS    .      .
 X6D      HAS2   CAS    .      .
 X6D      NBK    CAS    CBF    .
 X6D      CBF    NBK    CBH    .
 X6D      CBC    CBF    CAK    .
 X6D      BR     CBC    .      .
 X6D      CAK    CBC    NAV    .
 X6D      HAK    CAK    .      .
 X6D      NAV    CAK    CBG    .
 X6D      CBG    NAV    NAX    .
 X6D      NAX    CBG    HAX    .
 X6D      HAX    NAX    .      .
 X6D      CBH    CBF    NAW    .
 X6D      NAW    CBH    CBE    .
 X6D      CBE    NAW    CBD    .
 X6D      CBD    CBE    CAJ    .
 X6D      CAI    CBD    CAG    .
 X6D      HAI    CAI    .      .
 X6D      CAG    CAI    HAG    .
 X6D      HAG    CAG    .      .
 X6D      CAJ    CBD    CAH    .
 X6D      HAJ    CAJ    .      .
 X6D      CAH    CAJ    CBB    .
 X6D      HAH    CAH    .      .
 X6D      CBB    CAH    CAT    .
 X6D      CAT    CBB    NBI    .
 X6D      HAT1   CAT    .      .
 X6D      HAT2   CAT    .      .
 X6D      NBI    CAT    CAO    .
 X6D      CAN    NBI    HAN1   .
 X6D      HAN2   CAN    .      .
 X6D      HAN1   CAN    .      .
 X6D      CAO    NBI    CAM    .
 X6D      HAO1   CAO    .      .
 X6D      HAO2   CAO    .      .
 X6D      CAM    CAO    OAY    .
 X6D      HAM1   CAM    .      .
 X6D      HAM2   CAM    .      .
 X6D      OAY    CAM    CAL    .
 X6D      CAL    OAY    HAL1   .
 X6D      HAL2   CAL    .      .
 X6D      HAL1   CAL    .      END
 X6D      CAN    CAL    .    ADD
 X6D      CBB    CAG    .    ADD
 X6D      CBE    NAX    .    ADD
 X6D      CBH    CBG    .    ADD
 X6D      NBK    CAR    .    ADD
 X6D      CBA    CAE    .    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
 X6D      CAN    CAL       single      1.524    0.020
 X6D      CAN    NBI       single      1.469    0.020
 X6D      CAL    OAY       single      1.426    0.020
 X6D      OAY    CAM       single      1.426    0.020
 X6D      CAM    CAO       single      1.524    0.020
 X6D      CAO    NBI       single      1.469    0.020
 X6D      NBI    CAT       single      1.469    0.020
 X6D      CAT    CBB       single      1.511    0.020
 X6D      CBB    CAG       single      1.390    0.020
 X6D      CBB    CAH       double      1.390    0.020
 X6D      CAG    CAI       double      1.390    0.020
 X6D      CAI    CBD       single      1.390    0.020
 X6D      CAH    CAJ       single      1.390    0.020
 X6D      CAJ    CBD       double      1.390    0.020
 X6D      CBD    CBE       single      1.490    0.020
 X6D      CBE    NAX       single      1.340    0.020
 X6D      CBE    NAW       double      1.350    0.020
 X6D      NAX    CBG       single      1.340    0.020
 X6D      NAW    CBH       single      1.350    0.020
 X6D      CBH    CBG       single      1.490    0.020
 X6D      CBH    CBF       double      1.490    0.020
 X6D      CBG    NAV       double      1.355    0.020
 X6D      NAV    CAK       single      1.337    0.020
 X6D      CAK    CBC       double      1.390    0.020
 X6D      BR     CBC       single      1.890    0.020
 X6D      CBC    CBF       single      1.487    0.020
 X6D      CBF    NBK       single      1.405    0.020
 X6D      NBK    CAR       single      1.469    0.020
 X6D      NBK    CAS       single      1.469    0.020
 X6D      CAR    CAP       single      1.524    0.020
 X6D      CAP    NBJ       single      1.469    0.020
 X6D      CAS    CAQ       single      1.524    0.020
 X6D      CAQ    NBJ       single      1.469    0.020
 X6D      NBJ    CAU       single      1.469    0.020
 X6D      CAU    CBA       single      1.511    0.020
 X6D      CBA    CAE       single      1.390    0.020
 X6D      CBA    CAF       double      1.390    0.020
 X6D      CAE    CAC       double      1.390    0.020
 X6D      CAC    CAZ       single      1.390    0.020
 X6D      CAZ    CL        single      1.795    0.020
 X6D      CAD    CAZ       double      1.390    0.020
 X6D      CAF    CAD       single      1.390    0.020
 X6D      HAN1   CAN       single      1.092    0.020
 X6D      HAN2   CAN       single      1.092    0.020
 X6D      HAL1   CAL       single      1.092    0.020
 X6D      HAL2   CAL       single      1.092    0.020
 X6D      HAM1   CAM       single      1.092    0.020
 X6D      HAM2   CAM       single      1.092    0.020
 X6D      HAO1   CAO       single      1.092    0.020
 X6D      HAO2   CAO       single      1.092    0.020
 X6D      HAT1   CAT       single      1.092    0.020
 X6D      HAT2   CAT       single      1.092    0.020
 X6D      HAG    CAG       single      1.083    0.020
 X6D      HAH    CAH       single      1.083    0.020
 X6D      HAI    CAI       single      1.083    0.020
 X6D      HAJ    CAJ       single      1.083    0.020
 X6D      HAX    NAX       single      1.040    0.020
 X6D      HAK    CAK       single      1.083    0.020
 X6D      HAR1   CAR       single      1.092    0.020
 X6D      HAR2   CAR       single      1.092    0.020
 X6D      HAS1   CAS       single      1.092    0.020
 X6D      HAS2   CAS       single      1.092    0.020
 X6D      HAP1   CAP       single      1.092    0.020
 X6D      HAP2   CAP       single      1.092    0.020
 X6D      HAQ1   CAQ       single      1.092    0.020
 X6D      HAQ2   CAQ       single      1.092    0.020
 X6D      HAU1   CAU       single      1.092    0.020
 X6D      HAU2   CAU       single      1.092    0.020
 X6D      HAE    CAE       single      1.083    0.020
 X6D      HAF    CAF       single      1.083    0.020
 X6D      HAC    CAC       single      1.083    0.020
 X6D      HAD    CAD       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
 X6D      CL     CAZ    CAC     120.000    3.000
 X6D      CL     CAZ    CAD     120.000    3.000
 X6D      CAC    CAZ    CAD     120.000    3.000
 X6D      CAZ    CAC    HAC     120.000    3.000
 X6D      CAZ    CAC    CAE     120.000    3.000
 X6D      HAC    CAC    CAE     120.000    3.000
 X6D      CAC    CAE    HAE     120.000    3.000
 X6D      CAC    CAE    CBA     120.000    3.000
 X6D      HAE    CAE    CBA     120.000    3.000
 X6D      CAZ    CAD    HAD     120.000    3.000
 X6D      CAZ    CAD    CAF     120.000    3.000
 X6D      HAD    CAD    CAF     120.000    3.000
 X6D      CAD    CAF    HAF     120.000    3.000
 X6D      CAD    CAF    CBA     120.000    3.000
 X6D      HAF    CAF    CBA     120.000    3.000
 X6D      CAF    CBA    CAU     120.000    3.000
 X6D      CAF    CBA    CAE     120.000    3.000
 X6D      CAU    CBA    CAE     120.000    3.000
 X6D      CBA    CAU    HAU1    109.470    3.000
 X6D      CBA    CAU    HAU2    109.470    3.000
 X6D      CBA    CAU    NBJ     109.500    3.000
 X6D      HAU1   CAU    HAU2    107.900    3.000
 X6D      HAU1   CAU    NBJ     109.470    3.000
 X6D      HAU2   CAU    NBJ     109.470    3.000
 X6D      CAU    NBJ    CAP     109.470    3.000
 X6D      CAU    NBJ    CAQ     109.470    3.000
 X6D      CAP    NBJ    CAQ     109.470    3.000
 X6D      NBJ    CAP    HAP1    109.470    3.000
 X6D      NBJ    CAP    HAP2    109.470    3.000
 X6D      NBJ    CAP    CAR     109.470    3.000
 X6D      HAP1   CAP    HAP2    107.900    3.000
 X6D      HAP1   CAP    CAR     109.470    3.000
 X6D      HAP2   CAP    CAR     109.470    3.000
 X6D      CAP    CAR    HAR2    109.470    3.000
 X6D      CAP    CAR    HAR1    109.470    3.000
 X6D      CAP    CAR    NBK     109.470    3.000
 X6D      HAR2   CAR    HAR1    107.900    3.000
 X6D      HAR2   CAR    NBK     109.470    3.000
 X6D      HAR1   CAR    NBK     109.470    3.000
 X6D      NBJ    CAQ    HAQ1    109.470    3.000
 X6D      NBJ    CAQ    HAQ2    109.470    3.000
 X6D      NBJ    CAQ    CAS     109.470    3.000
 X6D      HAQ1   CAQ    HAQ2    107.900    3.000
 X6D      HAQ1   CAQ    CAS     109.470    3.000
 X6D      HAQ2   CAQ    CAS     109.470    3.000
 X6D      CAQ    CAS    HAS1    109.470    3.000
 X6D      CAQ    CAS    HAS2    109.470    3.000
 X6D      CAQ    CAS    NBK     109.470    3.000
 X6D      HAS1   CAS    HAS2    107.900    3.000
 X6D      HAS1   CAS    NBK     109.470    3.000
 X6D      HAS2   CAS    NBK     109.470    3.000
 X6D      CAS    NBK    CBF     109.500    3.000
 X6D      CAS    NBK    CAR     109.470    3.000
 X6D      CBF    NBK    CAR     109.500    3.000
 X6D      NBK    CBF    CBC     120.000    3.000
 X6D      NBK    CBF    CBH     120.000    3.000
 X6D      CBC    CBF    CBH     120.000    3.000
 X6D      CBF    CBC    BR      120.000    3.000
 X6D      CBF    CBC    CAK     120.000    3.000
 X6D      BR     CBC    CAK     120.000    3.000
 X6D      CBC    CAK    HAK     120.000    3.000
 X6D      CBC    CAK    NAV     120.000    3.000
 X6D      HAK    CAK    NAV     120.000    3.000
 X6D      CAK    NAV    CBG     120.000    3.000
 X6D      NAV    CBG    NAX     132.000    3.000
 X6D      NAV    CBG    CBH     120.000    3.000
 X6D      NAX    CBG    CBH     108.000    3.000
 X6D      CBG    NAX    HAX     126.000    3.000
 X6D      CBG    NAX    CBE     108.000    3.000
 X6D      HAX    NAX    CBE     126.000    3.000
 X6D      CBF    CBH    NAW     132.000    3.000
 X6D      CBF    CBH    CBG     120.000    3.000
 X6D      NAW    CBH    CBG     108.000    3.000
 X6D      CBH    NAW    CBE     108.000    3.000
 X6D      NAW    CBE    CBD     126.000    3.000
 X6D      NAW    CBE    NAX     108.000    3.000
 X6D      CBD    CBE    NAX     108.000    3.000
 X6D      CBE    CBD    CAI     120.000    3.000
 X6D      CBE    CBD    CAJ     120.000    3.000
 X6D      CAI    CBD    CAJ     120.000    3.000
 X6D      CBD    CAI    HAI     120.000    3.000
 X6D      CBD    CAI    CAG     120.000    3.000
 X6D      HAI    CAI    CAG     120.000    3.000
 X6D      CAI    CAG    HAG     120.000    3.000
 X6D      CAI    CAG    CBB     120.000    3.000
 X6D      HAG    CAG    CBB     120.000    3.000
 X6D      CBD    CAJ    HAJ     120.000    3.000
 X6D      CBD    CAJ    CAH     120.000    3.000
 X6D      HAJ    CAJ    CAH     120.000    3.000
 X6D      CAJ    CAH    HAH     120.000    3.000
 X6D      CAJ    CAH    CBB     120.000    3.000
 X6D      HAH    CAH    CBB     120.000    3.000
 X6D      CAH    CBB    CAT     120.000    3.000
 X6D      CAH    CBB    CAG     120.000    3.000
 X6D      CAT    CBB    CAG     120.000    3.000
 X6D      CBB    CAT    HAT1    109.470    3.000
 X6D      CBB    CAT    HAT2    109.470    3.000
 X6D      CBB    CAT    NBI     109.500    3.000
 X6D      HAT1   CAT    HAT2    107.900    3.000
 X6D      HAT1   CAT    NBI     109.470    3.000
 X6D      HAT2   CAT    NBI     109.470    3.000
 X6D      CAT    NBI    CAN     109.470    3.000
 X6D      CAT    NBI    CAO     109.470    3.000
 X6D      CAN    NBI    CAO     109.470    3.000
 X6D      NBI    CAN    HAN2    109.470    3.000
 X6D      NBI    CAN    HAN1    109.470    3.000
 X6D      NBI    CAN    CAL     109.470    3.000
 X6D      HAN2   CAN    HAN1    107.900    3.000
 X6D      HAN2   CAN    CAL     109.470    3.000
 X6D      HAN1   CAN    CAL     109.470    3.000
 X6D      NBI    CAO    HAO1    109.470    3.000
 X6D      NBI    CAO    HAO2    109.470    3.000
 X6D      NBI    CAO    CAM     109.470    3.000
 X6D      HAO1   CAO    HAO2    107.900    3.000
 X6D      HAO1   CAO    CAM     109.470    3.000
 X6D      HAO2   CAO    CAM     109.470    3.000
 X6D      CAO    CAM    HAM1    109.470    3.000
 X6D      CAO    CAM    HAM2    109.470    3.000
 X6D      CAO    CAM    OAY     109.470    3.000
 X6D      HAM1   CAM    HAM2    107.900    3.000
 X6D      HAM1   CAM    OAY     109.470    3.000
 X6D      HAM2   CAM    OAY     109.470    3.000
 X6D      CAM    OAY    CAL     111.800    3.000
 X6D      OAY    CAL    HAL2    109.470    3.000
 X6D      OAY    CAL    HAL1    109.470    3.000
 X6D      OAY    CAL    CAN     109.470    3.000
 X6D      HAL2   CAL    HAL1    107.900    3.000
 X6D      HAL2   CAL    CAN     109.470    3.000
 X6D      HAL1   CAL    CAN     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
 X6D      CONST_1  CL     CAZ    CAC    CAE      180.000    0.000   0
 X6D      CONST_2  CAZ    CAC    CAE    CBA        0.000    0.000   0
 X6D      CONST_3  CL     CAZ    CAD    CAF      180.000    0.000   0
 X6D      CONST_4  CAZ    CAD    CAF    CBA        0.000    0.000   0
 X6D      CONST_5  CAD    CAF    CBA    CAU      180.000    0.000   0
 X6D      CONST_6  CAF    CBA    CAE    CAC        0.000    0.000   0
 X6D      var_1    CAF    CBA    CAU    NBJ      -90.276   20.000   2
 X6D      var_2    CBA    CAU    NBJ    CAQ      -66.199   20.000   1
 X6D      var_3    CAU    NBJ    CAP    CAR       60.000   20.000   1
 X6D      var_4    NBJ    CAP    CAR    NBK       60.000   20.000   3
 X6D      var_5    CAU    NBJ    CAQ    CAS      -60.000   20.000   1
 X6D      var_6    NBJ    CAQ    CAS    NBK      -60.000   20.000   3
 X6D      var_7    CAQ    CAS    NBK    CBF      180.000   20.000   1
 X6D      var_8    CAS    NBK    CAR    CAP      -60.000   20.000   1
 X6D      var_9    CAS    NBK    CBF    CBH      -62.019   20.000   1
 X6D      CONST_7  NBK    CBF    CBC    CAK      180.000    0.000   0
 X6D      CONST_8  CBF    CBC    CAK    NAV        0.000    0.000   0
 X6D      CONST_9  CBC    CAK    NAV    CBG        0.000    0.000   0
 X6D      CONST_10 CAK    NAV    CBG    NAX      180.000    0.000   0
 X6D      CONST_11 NAV    CBG    NAX    CBE      180.000    0.000   0
 X6D      CONST_12 NBK    CBF    CBH    NAW        0.000    0.000   0
 X6D      CONST_13 CBF    CBH    CBG    NAV        0.000    0.000   0
 X6D      CONST_14 CBF    CBH    NAW    CBE      180.000    0.000   0
 X6D      CONST_15 CBH    NAW    CBE    CBD      180.000    0.000   0
 X6D      CONST_16 NAW    CBE    NAX    CBG        0.000    0.000   0
 X6D      var_10   NAW    CBE    CBD    CAJ      179.950   20.000   1
 X6D      CONST_17 CBE    CBD    CAI    CAG      180.000    0.000   0
 X6D      CONST_18 CBD    CAI    CAG    CBB        0.000    0.000   0
 X6D      CONST_19 CBE    CBD    CAJ    CAH      180.000    0.000   0
 X6D      CONST_20 CBD    CAJ    CAH    CBB        0.000    0.000   0
 X6D      CONST_21 CAJ    CAH    CBB    CAT      180.000    0.000   0
 X6D      CONST_22 CAH    CBB    CAG    CAI        0.000    0.000   0
 X6D      var_11   CAH    CBB    CAT    NBI      -90.269   20.000   2
 X6D      var_12   CBB    CAT    NBI    CAO       66.390   20.000   1
 X6D      var_13   CAT    NBI    CAN    CAL      180.000   20.000   1
 X6D      var_14   NBI    CAN    CAL    OAY       60.000   20.000   3
 X6D      var_15   CAT    NBI    CAO    CAM      180.000   20.000   1
 X6D      var_16   NBI    CAO    CAM    OAY      -60.000   20.000   3
 X6D      var_17   CAO    CAM    OAY    CAL       60.000   20.000   1
 X6D      var_18   CAM    OAY    CAL    CAN      -60.000   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
 X6D      chir_01  NBI    CAN    CAO    CAT       positiv
 X6D      chir_02  NBK    CBF    CAR    CAS       positiv
 X6D      chir_03  NBJ    CAP    CAQ    CAU       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
 X6D      plan-1    CBB       0.020
 X6D      plan-1    CAT       0.020
 X6D      plan-1    CAG       0.020
 X6D      plan-1    CAH       0.020
 X6D      plan-1    CAI       0.020
 X6D      plan-1    CAJ       0.020
 X6D      plan-1    CBD       0.020
 X6D      plan-1    HAG       0.020
 X6D      plan-1    HAI       0.020
 X6D      plan-1    HAH       0.020
 X6D      plan-1    HAJ       0.020
 X6D      plan-1    CBE       0.020
 X6D      plan-2    CBE       0.020
 X6D      plan-2    CBD       0.020
 X6D      plan-2    NAX       0.020
 X6D      plan-2    NAW       0.020
 X6D      plan-2    CBG       0.020
 X6D      plan-2    HAX       0.020
 X6D      plan-2    CBH       0.020
 X6D      plan-2    CBF       0.020
 X6D      plan-2    NAV       0.020
 X6D      plan-2    CAK       0.020
 X6D      plan-2    CBC       0.020
 X6D      plan-2    HAK       0.020
 X6D      plan-2    BR        0.020
 X6D      plan-2    NBK       0.020
 X6D      plan-3    CBA       0.020
 X6D      plan-3    CAU       0.020
 X6D      plan-3    CAE       0.020
 X6D      plan-3    CAF       0.020
 X6D      plan-3    CAC       0.020
 X6D      plan-3    CAZ       0.020
 X6D      plan-3    CAD       0.020
 X6D      plan-3    HAE       0.020
 X6D      plan-3    HAC       0.020
 X6D      plan-3    CL        0.020
 X6D      plan-3    HAD       0.020
 X6D      plan-3    HAF       0.020
# ------------------------------------------------------
