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
BXC      BXC '(3R,7R,11R)-3,7,11,15-tetramethylhex' non-polymer        80  30 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_BXC
#
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
 BXC           OBD    O    OH1       0.000      0.000    0.000    0.000
 BXC           HOBD   H    H         0.000     -0.691    0.350   -0.579
 BXC           CBC    C    CH1       0.000     -0.382    0.189    1.364
 BXC           HBC    H    H         0.000     -0.515    1.261    1.564
 BXC           CBA    C    CH1       0.000      0.708   -0.372    2.282
 BXC           HBA    H    H         0.000      0.439   -0.182    3.331
 BXC           OBB    O    OH1       0.000      1.954    0.260    1.986
 BXC           HOBB   H    H         0.000      2.642   -0.100    2.563
 BXC           CAY    C    CH1       0.000      0.831   -1.881    2.050
 BXC           HAY    H    H         0.000      1.572   -2.301    2.744
 BXC           OAZ    O    OH1       0.000      1.245   -2.124    0.703
 BXC           HOAZ   H    H         0.000      1.317   -3.077    0.556
 BXC           CAX    C    CH2       0.000     -0.530   -2.539    2.293
 BXC           HAXA   H    H         0.000     -0.826   -2.388    3.333
 BXC           HAX    H    H         0.000     -0.458   -3.609    2.088
 BXC           OAW    O    O2        0.000     -1.503   -1.951    1.429
 BXC           CAV    C    CH1       0.000     -1.696   -0.550    1.634
 BXC           HAV    H    H         0.000     -2.011   -0.372    2.671
 BXC           OAU    O    O2        0.000     -2.703   -0.071    0.742
 BXC           CAT    C    CH2       0.000     -4.021   -0.529    1.053
 BXC           HAT    H    H         0.000     -4.293   -0.197    2.057
 BXC           HATA   H    H         0.000     -4.045   -1.620    1.012
 BXC           CAS    C    CH2       0.000     -5.013    0.043    0.038
 BXC           HAS    H    H         0.000     -4.739   -0.289   -0.965
 BXC           HASA   H    H         0.000     -4.987    1.134    0.079
 BXC           CAQ    C    CH1       0.000     -6.424   -0.447    0.372
 BXC           HAQ    H    H         0.000     -6.665   -0.190    1.413
 BXC           CAR    C    CH3       0.000     -6.492   -1.965    0.194
 BXC           HARB   H    H         0.000     -7.468   -2.306    0.424
 BXC           HARA   H    H         0.000     -6.259   -2.215   -0.809
 BXC           HAR    H    H         0.000     -5.795   -2.430    0.842
 BXC           CAP    C    CH2       0.000     -7.431    0.221   -0.565
 BXC           HAP    H    H         0.000     -7.246   -0.105   -1.591
 BXC           HAPA   H    H         0.000     -7.319    1.306   -0.505
 BXC           CAO    C    CH2       0.000     -8.851   -0.171   -0.152
 BXC           HAO    H    H         0.000     -9.033    0.155    0.874
 BXC           HAOA   H    H         0.000     -8.960   -1.256   -0.213
 BXC           CAN    C    CH2       0.000     -9.858    0.498   -1.089
 BXC           HAN    H    H         0.000     -9.673    0.172   -2.114
 BXC           HANA   H    H         0.000     -9.746    1.583   -1.027
 BXC           CAL    C    CH1       0.000    -11.277    0.106   -0.675
 BXC           HAL    H    H         0.000    -11.432    0.354    0.384
 BXC           CAM    C    CH3       0.000    -11.471   -1.398   -0.880
 BXC           HAMB   H    H         0.000    -10.772   -1.930   -0.288
 BXC           HAMA   H    H         0.000    -12.454   -1.671   -0.595
 BXC           HAM    H    H         0.000    -11.322   -1.639   -1.901
 BXC           CAK    C    CH2       0.000    -12.289    0.871   -1.532
 BXC           HAK    H    H         0.000    -12.193    0.559   -2.574
 BXC           HAKA   H    H         0.000    -12.093    1.943   -1.455
 BXC           CAJ    C    CH2       0.000    -13.705    0.574   -1.037
 BXC           HAJ    H    H         0.000    -13.799    0.886    0.005
 BXC           HAJA   H    H         0.000    -13.899   -0.498   -1.114
 BXC           CAI    C    CH2       0.000    -14.715    1.339   -1.894
 BXC           HAI    H    H         0.000    -14.620    1.026   -2.936
 BXC           HAIA   H    H         0.000    -14.519    2.410   -1.817
 BXC           CAG    C    CH1       0.000    -16.132    1.042   -1.398
 BXC           HAG    H    H         0.000    -16.202    1.274   -0.326
 BXC           CAH    C    CH3       0.000    -16.451   -0.437   -1.622
 BXC           HAHB   H    H         0.000    -15.759   -1.034   -1.086
 BXC           HAHA   H    H         0.000    -17.432   -0.644   -1.280
 BXC           HAH    H    H         0.000    -16.384   -0.662   -2.655
 BXC           CAF    C    CH2       0.000    -17.134    1.902   -2.173
 BXC           HAF    H    H         0.000    -17.128    1.609   -3.225
 BXC           HAFA   H    H         0.000    -16.853    2.953   -2.087
 BXC           CAE    C    CH2       0.000    -18.536    1.698   -1.594
 BXC           HAE    H    H         0.000    -18.540    1.989   -0.541
 BXC           HAEA   H    H         0.000    -18.815    0.646   -1.680
 BXC           CAD    C    CH2       0.000    -19.537    2.558   -2.367
 BXC           HAD    H    H         0.000    -19.530    2.266   -3.419
 BXC           HADA   H    H         0.000    -19.256    3.610   -2.280
 BXC           CAB    C    CH1       0.000    -20.939    2.353   -1.788
 BXC           HAB    H    H         0.000    -21.185    1.282   -1.794
 BXC           CAC    C    CH3       0.000    -21.957    3.115   -2.639
 BXC           HACB   H    H         0.000    -21.930    2.752   -3.634
 BXC           HACA   H    H         0.000    -22.929    2.974   -2.239
 BXC           HAC    H    H         0.000    -21.721    4.147   -2.634
 BXC           CAA    C    CH3       0.000    -20.979    2.878   -0.352
 BXC           HAAB   H    H         0.000    -20.274    2.351    0.238
 BXC           HAAA   H    H         0.000    -20.741    3.911   -0.345
 BXC           HAA    H    H         0.000    -21.949    2.738    0.050
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
 BXC      OBD    n/a    CBC    START
 BXC      HOBD   OBD    .      .
 BXC      CBC    OBD    CAV    .
 BXC      HBC    CBC    .      .
 BXC      CBA    CBC    CAY    .
 BXC      HBA    CBA    .      .
 BXC      OBB    CBA    HOBB   .
 BXC      HOBB   OBB    .      .
 BXC      CAY    CBA    CAX    .
 BXC      HAY    CAY    .      .
 BXC      OAZ    CAY    HOAZ   .
 BXC      HOAZ   OAZ    .      .
 BXC      CAX    CAY    OAW    .
 BXC      HAXA   CAX    .      .
 BXC      HAX    CAX    .      .
 BXC      OAW    CAX    .      .
 BXC      CAV    CBC    OAU    .
 BXC      HAV    CAV    .      .
 BXC      OAU    CAV    CAT    .
 BXC      CAT    OAU    CAS    .
 BXC      HAT    CAT    .      .
 BXC      HATA   CAT    .      .
 BXC      CAS    CAT    CAQ    .
 BXC      HAS    CAS    .      .
 BXC      HASA   CAS    .      .
 BXC      CAQ    CAS    CAP    .
 BXC      HAQ    CAQ    .      .
 BXC      CAR    CAQ    HAR    .
 BXC      HARB   CAR    .      .
 BXC      HARA   CAR    .      .
 BXC      HAR    CAR    .      .
 BXC      CAP    CAQ    CAO    .
 BXC      HAP    CAP    .      .
 BXC      HAPA   CAP    .      .
 BXC      CAO    CAP    CAN    .
 BXC      HAO    CAO    .      .
 BXC      HAOA   CAO    .      .
 BXC      CAN    CAO    CAL    .
 BXC      HAN    CAN    .      .
 BXC      HANA   CAN    .      .
 BXC      CAL    CAN    CAK    .
 BXC      HAL    CAL    .      .
 BXC      CAM    CAL    HAM    .
 BXC      HAMB   CAM    .      .
 BXC      HAMA   CAM    .      .
 BXC      HAM    CAM    .      .
 BXC      CAK    CAL    CAJ    .
 BXC      HAK    CAK    .      .
 BXC      HAKA   CAK    .      .
 BXC      CAJ    CAK    CAI    .
 BXC      HAJ    CAJ    .      .
 BXC      HAJA   CAJ    .      .
 BXC      CAI    CAJ    CAG    .
 BXC      HAI    CAI    .      .
 BXC      HAIA   CAI    .      .
 BXC      CAG    CAI    CAF    .
 BXC      HAG    CAG    .      .
 BXC      CAH    CAG    HAH    .
 BXC      HAHB   CAH    .      .
 BXC      HAHA   CAH    .      .
 BXC      HAH    CAH    .      .
 BXC      CAF    CAG    CAE    .
 BXC      HAF    CAF    .      .
 BXC      HAFA   CAF    .      .
 BXC      CAE    CAF    CAD    .
 BXC      HAE    CAE    .      .
 BXC      HAEA   CAE    .      .
 BXC      CAD    CAE    CAB    .
 BXC      HAD    CAD    .      .
 BXC      HADA   CAD    .      .
 BXC      CAB    CAD    CAA    .
 BXC      HAB    CAB    .      .
 BXC      CAC    CAB    HAC    .
 BXC      HACB   CAC    .      .
 BXC      HACA   CAC    .      .
 BXC      HAC    CAC    .      .
 BXC      CAA    CAB    HAA    .
 BXC      HAAB   CAA    .      .
 BXC      HAAA   CAA    .      .
 BXC      HAA    CAA    .      END
 BXC      CAV    OAW    .    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
 BXC      CAA    CAB       single      1.524    0.020
 BXC      CAC    CAB       single      1.524    0.020
 BXC      CAB    CAD       single      1.524    0.020
 BXC      CAD    CAE       single      1.524    0.020
 BXC      CAE    CAF       single      1.524    0.020
 BXC      CAF    CAG       single      1.524    0.020
 BXC      CAH    CAG       single      1.524    0.020
 BXC      CAG    CAI       single      1.524    0.020
 BXC      CAI    CAJ       single      1.524    0.020
 BXC      CAJ    CAK       single      1.524    0.020
 BXC      CAK    CAL       single      1.524    0.020
 BXC      CAM    CAL       single      1.524    0.020
 BXC      CAL    CAN       single      1.524    0.020
 BXC      CAN    CAO       single      1.524    0.020
 BXC      CAO    CAP       single      1.524    0.020
 BXC      CAP    CAQ       single      1.524    0.020
 BXC      CAR    CAQ       single      1.524    0.020
 BXC      CAQ    CAS       single      1.524    0.020
 BXC      CAS    CAT       single      1.524    0.020
 BXC      CAT    OAU       single      1.426    0.020
 BXC      OAU    CAV       single      1.426    0.020
 BXC      CAV    OAW       single      1.426    0.020
 BXC      CAV    CBC       single      1.524    0.020
 BXC      OAW    CAX       single      1.426    0.020
 BXC      CAX    CAY       single      1.524    0.020
 BXC      OAZ    CAY       single      1.432    0.020
 BXC      CAY    CBA       single      1.524    0.020
 BXC      OBB    CBA       single      1.432    0.020
 BXC      CBA    CBC       single      1.524    0.020
 BXC      CBC    OBD       single      1.432    0.020
 BXC      HAA    CAA       single      1.059    0.020
 BXC      HAAA   CAA       single      1.059    0.020
 BXC      HAAB   CAA       single      1.059    0.020
 BXC      HAB    CAB       single      1.099    0.020
 BXC      HAC    CAC       single      1.059    0.020
 BXC      HACA   CAC       single      1.059    0.020
 BXC      HACB   CAC       single      1.059    0.020
 BXC      HAD    CAD       single      1.092    0.020
 BXC      HADA   CAD       single      1.092    0.020
 BXC      HAE    CAE       single      1.092    0.020
 BXC      HAEA   CAE       single      1.092    0.020
 BXC      HAF    CAF       single      1.092    0.020
 BXC      HAFA   CAF       single      1.092    0.020
 BXC      HAG    CAG       single      1.099    0.020
 BXC      HAH    CAH       single      1.059    0.020
 BXC      HAHA   CAH       single      1.059    0.020
 BXC      HAHB   CAH       single      1.059    0.020
 BXC      HAI    CAI       single      1.092    0.020
 BXC      HAIA   CAI       single      1.092    0.020
 BXC      HAJ    CAJ       single      1.092    0.020
 BXC      HAJA   CAJ       single      1.092    0.020
 BXC      HAK    CAK       single      1.092    0.020
 BXC      HAKA   CAK       single      1.092    0.020
 BXC      HAL    CAL       single      1.099    0.020
 BXC      HAM    CAM       single      1.059    0.020
 BXC      HAMA   CAM       single      1.059    0.020
 BXC      HAMB   CAM       single      1.059    0.020
 BXC      HAN    CAN       single      1.092    0.020
 BXC      HANA   CAN       single      1.092    0.020
 BXC      HAO    CAO       single      1.092    0.020
 BXC      HAOA   CAO       single      1.092    0.020
 BXC      HAP    CAP       single      1.092    0.020
 BXC      HAPA   CAP       single      1.092    0.020
 BXC      HAQ    CAQ       single      1.099    0.020
 BXC      HAR    CAR       single      1.059    0.020
 BXC      HARA   CAR       single      1.059    0.020
 BXC      HARB   CAR       single      1.059    0.020
 BXC      HAS    CAS       single      1.092    0.020
 BXC      HASA   CAS       single      1.092    0.020
 BXC      HAT    CAT       single      1.092    0.020
 BXC      HATA   CAT       single      1.092    0.020
 BXC      HAV    CAV       single      1.099    0.020
 BXC      HAX    CAX       single      1.092    0.020
 BXC      HAXA   CAX       single      1.092    0.020
 BXC      HAY    CAY       single      1.099    0.020
 BXC      HOAZ   OAZ       single      0.967    0.020
 BXC      HBA    CBA       single      1.099    0.020
 BXC      HOBB   OBB       single      0.967    0.020
 BXC      HBC    CBC       single      1.099    0.020
 BXC      HOBD   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
 BXC      HOBD   OBD    CBC     109.470    3.000
 BXC      OBD    CBC    HBC     109.470    3.000
 BXC      OBD    CBC    CBA     109.470    3.000
 BXC      OBD    CBC    CAV     109.470    3.000
 BXC      HBC    CBC    CBA     108.340    3.000
 BXC      HBC    CBC    CAV     108.340    3.000
 BXC      CBA    CBC    CAV     111.000    3.000
 BXC      CBC    CBA    HBA     108.340    3.000
 BXC      CBC    CBA    OBB     109.470    3.000
 BXC      CBC    CBA    CAY     111.000    3.000
 BXC      HBA    CBA    OBB     109.470    3.000
 BXC      HBA    CBA    CAY     108.340    3.000
 BXC      OBB    CBA    CAY     109.470    3.000
 BXC      CBA    OBB    HOBB    109.470    3.000
 BXC      CBA    CAY    HAY     108.340    3.000
 BXC      CBA    CAY    OAZ     109.470    3.000
 BXC      CBA    CAY    CAX     111.000    3.000
 BXC      HAY    CAY    OAZ     109.470    3.000
 BXC      HAY    CAY    CAX     108.340    3.000
 BXC      OAZ    CAY    CAX     109.470    3.000
 BXC      CAY    OAZ    HOAZ    109.470    3.000
 BXC      CAY    CAX    HAXA    109.470    3.000
 BXC      CAY    CAX    HAX     109.470    3.000
 BXC      CAY    CAX    OAW     109.470    3.000
 BXC      HAXA   CAX    HAX     107.900    3.000
 BXC      HAXA   CAX    OAW     109.470    3.000
 BXC      HAX    CAX    OAW     109.470    3.000
 BXC      CAX    OAW    CAV     111.800    3.000
 BXC      CBC    CAV    HAV     108.340    3.000
 BXC      CBC    CAV    OAU     109.470    3.000
 BXC      CBC    CAV    OAW     109.470    3.000
 BXC      HAV    CAV    OAU     109.470    3.000
 BXC      HAV    CAV    OAW     109.470    3.000
 BXC      OAU    CAV    OAW     109.470    3.000
 BXC      CAV    OAU    CAT     111.800    3.000
 BXC      OAU    CAT    HAT     109.470    3.000
 BXC      OAU    CAT    HATA    109.470    3.000
 BXC      OAU    CAT    CAS     109.470    3.000
 BXC      HAT    CAT    HATA    107.900    3.000
 BXC      HAT    CAT    CAS     109.470    3.000
 BXC      HATA   CAT    CAS     109.470    3.000
 BXC      CAT    CAS    HAS     109.470    3.000
 BXC      CAT    CAS    HASA    109.470    3.000
 BXC      CAT    CAS    CAQ     111.000    3.000
 BXC      HAS    CAS    HASA    107.900    3.000
 BXC      HAS    CAS    CAQ     109.470    3.000
 BXC      HASA   CAS    CAQ     109.470    3.000
 BXC      CAS    CAQ    HAQ     108.340    3.000
 BXC      CAS    CAQ    CAR     111.000    3.000
 BXC      CAS    CAQ    CAP     109.470    3.000
 BXC      HAQ    CAQ    CAR     108.340    3.000
 BXC      HAQ    CAQ    CAP     108.340    3.000
 BXC      CAR    CAQ    CAP     111.000    3.000
 BXC      CAQ    CAR    HARB    109.470    3.000
 BXC      CAQ    CAR    HARA    109.470    3.000
 BXC      CAQ    CAR    HAR     109.470    3.000
 BXC      HARB   CAR    HARA    109.470    3.000
 BXC      HARB   CAR    HAR     109.470    3.000
 BXC      HARA   CAR    HAR     109.470    3.000
 BXC      CAQ    CAP    HAP     109.470    3.000
 BXC      CAQ    CAP    HAPA    109.470    3.000
 BXC      CAQ    CAP    CAO     111.000    3.000
 BXC      HAP    CAP    HAPA    107.900    3.000
 BXC      HAP    CAP    CAO     109.470    3.000
 BXC      HAPA   CAP    CAO     109.470    3.000
 BXC      CAP    CAO    HAO     109.470    3.000
 BXC      CAP    CAO    HAOA    109.470    3.000
 BXC      CAP    CAO    CAN     111.000    3.000
 BXC      HAO    CAO    HAOA    107.900    3.000
 BXC      HAO    CAO    CAN     109.470    3.000
 BXC      HAOA   CAO    CAN     109.470    3.000
 BXC      CAO    CAN    HAN     109.470    3.000
 BXC      CAO    CAN    HANA    109.470    3.000
 BXC      CAO    CAN    CAL     111.000    3.000
 BXC      HAN    CAN    HANA    107.900    3.000
 BXC      HAN    CAN    CAL     109.470    3.000
 BXC      HANA   CAN    CAL     109.470    3.000
 BXC      CAN    CAL    HAL     108.340    3.000
 BXC      CAN    CAL    CAM     111.000    3.000
 BXC      CAN    CAL    CAK     109.470    3.000
 BXC      HAL    CAL    CAM     108.340    3.000
 BXC      HAL    CAL    CAK     108.340    3.000
 BXC      CAM    CAL    CAK     111.000    3.000
 BXC      CAL    CAM    HAMB    109.470    3.000
 BXC      CAL    CAM    HAMA    109.470    3.000
 BXC      CAL    CAM    HAM     109.470    3.000
 BXC      HAMB   CAM    HAMA    109.470    3.000
 BXC      HAMB   CAM    HAM     109.470    3.000
 BXC      HAMA   CAM    HAM     109.470    3.000
 BXC      CAL    CAK    HAK     109.470    3.000
 BXC      CAL    CAK    HAKA    109.470    3.000
 BXC      CAL    CAK    CAJ     111.000    3.000
 BXC      HAK    CAK    HAKA    107.900    3.000
 BXC      HAK    CAK    CAJ     109.470    3.000
 BXC      HAKA   CAK    CAJ     109.470    3.000
 BXC      CAK    CAJ    HAJ     109.470    3.000
 BXC      CAK    CAJ    HAJA    109.470    3.000
 BXC      CAK    CAJ    CAI     111.000    3.000
 BXC      HAJ    CAJ    HAJA    107.900    3.000
 BXC      HAJ    CAJ    CAI     109.470    3.000
 BXC      HAJA   CAJ    CAI     109.470    3.000
 BXC      CAJ    CAI    HAI     109.470    3.000
 BXC      CAJ    CAI    HAIA    109.470    3.000
 BXC      CAJ    CAI    CAG     111.000    3.000
 BXC      HAI    CAI    HAIA    107.900    3.000
 BXC      HAI    CAI    CAG     109.470    3.000
 BXC      HAIA   CAI    CAG     109.470    3.000
 BXC      CAI    CAG    HAG     108.340    3.000
 BXC      CAI    CAG    CAH     111.000    3.000
 BXC      CAI    CAG    CAF     109.470    3.000
 BXC      HAG    CAG    CAH     108.340    3.000
 BXC      HAG    CAG    CAF     108.340    3.000
 BXC      CAH    CAG    CAF     111.000    3.000
 BXC      CAG    CAH    HAHB    109.470    3.000
 BXC      CAG    CAH    HAHA    109.470    3.000
 BXC      CAG    CAH    HAH     109.470    3.000
 BXC      HAHB   CAH    HAHA    109.470    3.000
 BXC      HAHB   CAH    HAH     109.470    3.000
 BXC      HAHA   CAH    HAH     109.470    3.000
 BXC      CAG    CAF    HAF     109.470    3.000
 BXC      CAG    CAF    HAFA    109.470    3.000
 BXC      CAG    CAF    CAE     111.000    3.000
 BXC      HAF    CAF    HAFA    107.900    3.000
 BXC      HAF    CAF    CAE     109.470    3.000
 BXC      HAFA   CAF    CAE     109.470    3.000
 BXC      CAF    CAE    HAE     109.470    3.000
 BXC      CAF    CAE    HAEA    109.470    3.000
 BXC      CAF    CAE    CAD     111.000    3.000
 BXC      HAE    CAE    HAEA    107.900    3.000
 BXC      HAE    CAE    CAD     109.470    3.000
 BXC      HAEA   CAE    CAD     109.470    3.000
 BXC      CAE    CAD    HAD     109.470    3.000
 BXC      CAE    CAD    HADA    109.470    3.000
 BXC      CAE    CAD    CAB     111.000    3.000
 BXC      HAD    CAD    HADA    107.900    3.000
 BXC      HAD    CAD    CAB     109.470    3.000
 BXC      HADA   CAD    CAB     109.470    3.000
 BXC      CAD    CAB    HAB     108.340    3.000
 BXC      CAD    CAB    CAC     111.000    3.000
 BXC      CAD    CAB    CAA     111.000    3.000
 BXC      HAB    CAB    CAC     108.340    3.000
 BXC      HAB    CAB    CAA     108.340    3.000
 BXC      CAC    CAB    CAA     111.000    3.000
 BXC      CAB    CAC    HACB    109.470    3.000
 BXC      CAB    CAC    HACA    109.470    3.000
 BXC      CAB    CAC    HAC     109.470    3.000
 BXC      HACB   CAC    HACA    109.470    3.000
 BXC      HACB   CAC    HAC     109.470    3.000
 BXC      HACA   CAC    HAC     109.470    3.000
 BXC      CAB    CAA    HAAB    109.470    3.000
 BXC      CAB    CAA    HAAA    109.470    3.000
 BXC      CAB    CAA    HAA     109.470    3.000
 BXC      HAAB   CAA    HAAA    109.470    3.000
 BXC      HAAB   CAA    HAA     109.470    3.000
 BXC      HAAA   CAA    HAA     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
 BXC      var_1    HOBD   OBD    CBC    CAV       60.039   20.000   1
 BXC      var_2    OBD    CBC    CBA    CAY      -60.000   20.000   3
 BXC      var_3    CBC    CBA    OBB    HOBB    -179.615   20.000   1
 BXC      var_4    CBC    CBA    CAY    CAX      -60.000   20.000   3
 BXC      var_5    CBA    CAY    OAZ    HOAZ    -179.694   20.000   1
 BXC      var_6    CBA    CAY    CAX    OAW       60.000   20.000   3
 BXC      var_7    CAY    CAX    OAW    CAV      -60.000   20.000   1
 BXC      var_8    OBD    CBC    CAV    OAU      -60.000   20.000   3
 BXC      var_9    CBC    CAV    OAW    CAX       60.000   20.000   1
 BXC      var_10   CBC    CAV    OAU    CAT     -170.067   20.000   1
 BXC      var_11   CAV    OAU    CAT    CAS      179.993   20.000   1
 BXC      var_12   OAU    CAT    CAS    CAQ     -179.981   20.000   3
 BXC      var_13   CAT    CAS    CAQ    CAP      175.060   20.000   3
 BXC      var_14   CAS    CAQ    CAR    HAR       60.036   20.000   3
 BXC      var_15   CAS    CAQ    CAP    CAO     -174.968   20.000   3
 BXC      var_16   CAQ    CAP    CAO    CAN      179.975   20.000   3
 BXC      var_17   CAP    CAO    CAN    CAL      180.000   20.000   3
 BXC      var_18   CAO    CAN    CAL    CAK      175.009   20.000   3
 BXC      var_19   CAN    CAL    CAM    HAM      -59.998   20.000   3
 BXC      var_20   CAN    CAL    CAK    CAJ     -175.039   20.000   3
 BXC      var_21   CAL    CAK    CAJ    CAI      179.998   20.000   3
 BXC      var_22   CAK    CAJ    CAI    CAG     -179.946   20.000   3
 BXC      var_23   CAJ    CAI    CAG    CAF      175.033   20.000   3
 BXC      var_24   CAI    CAG    CAH    HAH      -59.976   20.000   3
 BXC      var_25   CAI    CAG    CAF    CAE     -175.007   20.000   3
 BXC      var_26   CAG    CAF    CAE    CAD      179.939   20.000   3
 BXC      var_27   CAF    CAE    CAD    CAB      179.969   20.000   3
 BXC      var_28   CAE    CAD    CAB    CAA       65.020   20.000   3
 BXC      var_29   CAD    CAB    CAC    HAC      -60.019   20.000   3
 BXC      var_30   CAD    CAB    CAA    HAA      179.936   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
 BXC      chir_01  CAB    CAA    CAC    CAD       negativ
 BXC      chir_02  CAG    CAF    CAH    CAI       negativ
 BXC      chir_03  CAL    CAK    CAM    CAN       negativ
 BXC      chir_04  CAQ    CAP    CAR    CAS       negativ
 BXC      chir_05  CAV    OAU    OAW    CBC       negativ
 BXC      chir_06  CAY    CAX    OAZ    CBA       negativ
 BXC      chir_07  CBA    CAY    OBB    CBC       negativ
 BXC      chir_08  CBC    CAV    CBA    OBD       negativ
# ------------------------------------------------------
