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
BII      BII '2-{[5-CHLORO-2-({(1E,4R)-2-METHOXY-4' non-polymer        69  37 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_BII
#
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
 BII           CL5    CL   CL        0.000      0.000    0.000    0.000
 BII           C5     C    CR6       0.000      0.220   -1.635    0.543
 BII           C4     C    CR6       0.000      0.973   -2.516   -0.233
 BII           NAE    N    NH1       0.000      1.502   -2.068   -1.398
 BII           HAE    H    H         0.000      1.358   -1.090   -1.604
 BII           CAK    C    CR6       0.000      2.201   -2.774   -2.320
 BII           CAR    C    CR16      0.000      2.987   -3.875   -1.962
 BII           HAR    H    H         0.000      3.031   -4.174   -0.922
 BII           CAZ    C    CR16      0.000      3.718   -4.602   -2.911
 BII           HAZ    H    H         0.000      4.307   -5.457   -2.603
 BII           CBC    C    CR16      0.000      3.687   -4.224   -4.250
 BII           HBC    H    H         0.000      4.254   -4.775   -4.990
 BII           CAY    C    CR16      0.000      2.916   -3.124   -4.624
 BII           HAY    H    H         0.000      2.885   -2.825   -5.664
 BII           CAQ    C    CR6       0.000      2.181   -2.400   -3.675
 BII           SAP    S    ST        0.000      1.233   -1.028   -4.278
 BII           OAX    O    OS        0.000      2.146   -0.225   -5.157
 BII           OAJ    O    OS        0.000      0.776   -0.132   -3.170
 BII           NAO    N    NH1       0.000     -0.096   -1.563   -5.139
 BII           HAO    H    H         0.000     -0.391   -1.075   -5.972
 BII           CAN    C    CH1       0.000     -0.843   -2.761   -4.672
 BII           HAN    H    H         0.000     -0.556   -2.988   -3.636
 BII           CAW    C    CH3       0.000     -0.542   -3.974   -5.557
 BII           HAW3   H    H         0.000      0.187   -3.713   -6.279
 BII           HAW2   H    H         0.000     -0.177   -4.767   -4.957
 BII           HAW1   H    H         0.000     -1.429   -4.283   -6.048
 BII           CAI    C    CH3       0.000     -2.349   -2.499   -4.733
 BII           HAI3   H    H         0.000     -2.529   -1.591   -5.247
 BII           HAI2   H    H         0.000     -2.827   -3.294   -5.244
 BII           HAI1   H    H         0.000     -2.736   -2.429   -3.749
 BII           C6     C    CR16      0.000     -0.350   -2.082    1.741
 BII           H6     H    H         0.000     -0.937   -1.405    2.349
 BII           N1     N    NRD6      0.000     -0.167   -3.344    2.131
 BII           C2     C    CR6       0.000      0.570   -4.193    1.382
 BII           N3     N    NRD6      0.000      1.142   -3.778    0.226
 BII           NAH    N    N         0.000      0.732   -5.448    1.811
 BII           CAM    C    CR6       0.000      1.533   -6.359    1.239
 BII           CAS    C    CR16      0.000      1.540   -6.610   -0.147
 BII           HAS    H    H         0.000      0.887   -6.042   -0.797
 BII           CBA    C    CR16      0.000      2.382   -7.587   -0.696
 BII           HBA    H    H         0.000      2.391   -7.758   -1.765
 BII           CBD    C    CH1       0.000      3.214   -8.342    0.146
 BII           HBD    H    H         0.000      2.415   -9.087    0.268
 BII           CBB    C    CR16      0.000      3.191   -8.093    1.521
 BII           HBB    H    H         0.000      3.835   -8.670    2.173
 BII           CAT    C    CR6       0.000      2.359   -7.116    2.075
 BII           OAU    O    O2        0.000      2.323   -6.880    3.419
 BII           CAV    C    CH3       0.000      3.309   -7.576    4.204
 BII           HAV3   H    H         0.000      4.254   -7.513    3.727
 BII           HAV2   H    H         0.000      3.372   -7.136    5.167
 BII           HAV1   H    H         0.000      3.033   -8.595    4.301
 BII           NBE    N    N         0.000      4.035   -9.298   -0.314
 BII           CBF    C    CH2       0.000      4.885  -10.122    0.547
 BII           HBF1   H    H         0.000      4.337  -10.964    0.974
 BII           HBF2   H    H         0.000      5.336   -9.537    1.352
 BII           CBH    C    CH2       0.000      5.977  -10.641   -0.380
 BII           HBH1   H    H         0.000      5.883  -11.714   -0.561
 BII           HBH2   H    H         0.000      6.976  -10.423    0.003
 BII           CBI    C    CH1       0.000      5.753   -9.882   -1.683
 BII           HBI    H    H         0.000      6.229   -8.894   -1.612
 BII           CBG    C    CH2       0.000      4.237   -9.708   -1.709
 BII           HBG2   H    H         0.000      3.679  -10.626   -1.904
 BII           HBG1   H    H         0.000      3.883   -8.920   -2.376
 BII           NBJ    N    NH1       0.000      6.332  -10.623   -2.839
 BII           HBJ    H    H         0.000      7.327  -10.710   -2.991
 BII           CBK    C    CH3       0.000      5.315  -11.228   -3.753
 BII           HBK3   H    H         0.000      5.800  -11.733   -4.553
 BII           HBK2   H    H         0.000      4.714  -11.923   -3.220
 BII           HBK1   H    H         0.000      4.689  -10.468   -4.154
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
 BII      CL5    n/a    C5     START
 BII      C5     CL5    C6     .
 BII      C4     C5     NAE    .
 BII      NAE    C4     CAK    .
 BII      HAE    NAE    .      .
 BII      CAK    NAE    CAQ    .
 BII      CAR    CAK    CAZ    .
 BII      HAR    CAR    .      .
 BII      CAZ    CAR    CBC    .
 BII      HAZ    CAZ    .      .
 BII      CBC    CAZ    CAY    .
 BII      HBC    CBC    .      .
 BII      CAY    CBC    HAY    .
 BII      HAY    CAY    .      .
 BII      CAQ    CAK    SAP    .
 BII      SAP    CAQ    NAO    .
 BII      OAX    SAP    .      .
 BII      OAJ    SAP    .      .
 BII      NAO    SAP    CAN    .
 BII      HAO    NAO    .      .
 BII      CAN    NAO    CAI    .
 BII      HAN    CAN    .      .
 BII      CAW    CAN    HAW1   .
 BII      HAW3   CAW    .      .
 BII      HAW2   CAW    .      .
 BII      HAW1   CAW    .      .
 BII      CAI    CAN    HAI1   .
 BII      HAI3   CAI    .      .
 BII      HAI2   CAI    .      .
 BII      HAI1   CAI    .      .
 BII      C6     C5     N1     .
 BII      H6     C6     .      .
 BII      N1     C6     C2     .
 BII      C2     N1     NAH    .
 BII      N3     C2     .      .
 BII      NAH    C2     CAM    .
 BII      CAM    NAH    CAS    .
 BII      CAS    CAM    CBA    .
 BII      HAS    CAS    .      .
 BII      CBA    CAS    CBD    .
 BII      HBA    CBA    .      .
 BII      CBD    CBA    NBE    .
 BII      HBD    CBD    .      .
 BII      CBB    CBD    CAT    .
 BII      HBB    CBB    .      .
 BII      CAT    CBB    OAU    .
 BII      OAU    CAT    CAV    .
 BII      CAV    OAU    HAV1   .
 BII      HAV3   CAV    .      .
 BII      HAV2   CAV    .      .
 BII      HAV1   CAV    .      .
 BII      NBE    CBD    CBF    .
 BII      CBF    NBE    CBH    .
 BII      HBF1   CBF    .      .
 BII      HBF2   CBF    .      .
 BII      CBH    CBF    CBI    .
 BII      HBH1   CBH    .      .
 BII      HBH2   CBH    .      .
 BII      CBI    CBH    NBJ    .
 BII      HBI    CBI    .      .
 BII      CBG    CBI    HBG1   .
 BII      HBG2   CBG    .      .
 BII      HBG1   CBG    .      .
 BII      NBJ    CBI    CBK    .
 BII      HBJ    NBJ    .      .
 BII      CBK    NBJ    HBK1   .
 BII      HBK3   CBK    .      .
 BII      HBK2   CBK    .      .
 BII      HBK1   CBK    .      END
 BII      CAQ    CAY    .    ADD
 BII      C4     N3     .    ADD
 BII      CAM    CAT    .    ADD
 BII      NBE    CBG    .    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
 BII      CAI    CAN       single      1.524    0.020
 BII      CAW    CAN       single      1.524    0.020
 BII      CAN    NAO       single      1.450    0.020
 BII      NAO    SAP       single      1.600    0.020
 BII      OAX    SAP       double      1.436    0.020
 BII      OAJ    SAP       double      1.436    0.020
 BII      SAP    CAQ       single      1.595    0.020
 BII      CAQ    CAY       single      1.390    0.020
 BII      CAQ    CAK       double      1.487    0.020
 BII      CAY    CBC       double      1.390    0.020
 BII      CBC    CAZ       single      1.390    0.020
 BII      CAZ    CAR       double      1.390    0.020
 BII      CAR    CAK       single      1.390    0.020
 BII      CAK    NAE       single      1.350    0.020
 BII      NAE    C4        single      1.350    0.020
 BII      C4     N3        single      1.350    0.020
 BII      C4     C5        double      1.487    0.020
 BII      N3     C2        double      1.350    0.020
 BII      C5     CL5       single      1.795    0.020
 BII      C6     C5        single      1.390    0.020
 BII      N1     C6        double      1.337    0.020
 BII      C2     N1        single      1.350    0.020
 BII      NAH    C2        single      1.400    0.020
 BII      CAM    NAH       double      1.355    0.020
 BII      CAM    CAT       single      1.487    0.020
 BII      CAS    CAM       single      1.390    0.020
 BII      CAT    CBB       double      1.390    0.020
 BII      OAU    CAT       single      1.370    0.020
 BII      CBB    CBD       single      1.460    0.020
 BII      CAV    OAU       single      1.426    0.020
 BII      CBA    CAS       double      1.390    0.020
 BII      CBD    CBA       single      1.460    0.020
 BII      NBE    CBD       single      1.455    0.020
 BII      NBE    CBG       single      1.455    0.020
 BII      CBF    NBE       single      1.455    0.020
 BII      CBG    CBI       single      1.524    0.020
 BII      CBH    CBF       single      1.524    0.020
 BII      CBI    CBH       single      1.524    0.020
 BII      NBJ    CBI       single      1.450    0.020
 BII      CBK    NBJ       single      1.450    0.020
 BII      HAI1   CAI       single      1.059    0.020
 BII      HAI2   CAI       single      1.059    0.020
 BII      HAI3   CAI       single      1.059    0.020
 BII      HAN    CAN       single      1.099    0.020
 BII      HAW1   CAW       single      1.059    0.020
 BII      HAW2   CAW       single      1.059    0.020
 BII      HAW3   CAW       single      1.059    0.020
 BII      HAO    NAO       single      1.010    0.020
 BII      HAY    CAY       single      1.083    0.020
 BII      HBC    CBC       single      1.083    0.020
 BII      HAZ    CAZ       single      1.083    0.020
 BII      HAR    CAR       single      1.083    0.020
 BII      HAE    NAE       single      1.010    0.020
 BII      H6     C6        single      1.083    0.020
 BII      HAS    CAS       single      1.083    0.020
 BII      HBB    CBB       single      1.083    0.020
 BII      HBD    CBD       single      1.099    0.020
 BII      HAV1   CAV       single      1.059    0.020
 BII      HAV2   CAV       single      1.059    0.020
 BII      HAV3   CAV       single      1.059    0.020
 BII      HBA    CBA       single      1.083    0.020
 BII      HBG1   CBG       single      1.092    0.020
 BII      HBG2   CBG       single      1.092    0.020
 BII      HBF1   CBF       single      1.092    0.020
 BII      HBF2   CBF       single      1.092    0.020
 BII      HBI    CBI       single      1.099    0.020
 BII      HBH1   CBH       single      1.092    0.020
 BII      HBH2   CBH       single      1.092    0.020
 BII      HBJ    NBJ       single      1.010    0.020
 BII      HBK1   CBK       single      1.059    0.020
 BII      HBK2   CBK       single      1.059    0.020
 BII      HBK3   CBK       single      1.059    0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
 BII      CL5    C5     C4      120.000    3.000
 BII      CL5    C5     C6      120.000    3.000
 BII      C4     C5     C6      120.000    3.000
 BII      C5     C4     NAE     120.000    3.000
 BII      C5     C4     N3      120.000    3.000
 BII      NAE    C4     N3      120.000    3.000
 BII      C4     NAE    HAE     120.000    3.000
 BII      C4     NAE    CAK     120.000    3.000
 BII      HAE    NAE    CAK     120.000    3.000
 BII      NAE    CAK    CAR     120.000    3.000
 BII      NAE    CAK    CAQ     120.000    3.000
 BII      CAR    CAK    CAQ     120.000    3.000
 BII      CAK    CAR    HAR     120.000    3.000
 BII      CAK    CAR    CAZ     120.000    3.000
 BII      HAR    CAR    CAZ     120.000    3.000
 BII      CAR    CAZ    HAZ     120.000    3.000
 BII      CAR    CAZ    CBC     120.000    3.000
 BII      HAZ    CAZ    CBC     120.000    3.000
 BII      CAZ    CBC    HBC     120.000    3.000
 BII      CAZ    CBC    CAY     120.000    3.000
 BII      HBC    CBC    CAY     120.000    3.000
 BII      CBC    CAY    HAY     120.000    3.000
 BII      CBC    CAY    CAQ     120.000    3.000
 BII      HAY    CAY    CAQ     120.000    3.000
 BII      CAK    CAQ    SAP     120.000    3.000
 BII      CAK    CAQ    CAY     120.000    3.000
 BII      SAP    CAQ    CAY     120.000    3.000
 BII      CAQ    SAP    OAX     109.500    3.000
 BII      CAQ    SAP    OAJ     109.500    3.000
 BII      CAQ    SAP    NAO     109.500    3.000
 BII      OAX    SAP    OAJ     109.500    3.000
 BII      OAX    SAP    NAO     109.500    3.000
 BII      OAJ    SAP    NAO     109.500    3.000
 BII      SAP    NAO    HAO     120.000    3.000
 BII      SAP    NAO    CAN     120.000    3.000
 BII      HAO    NAO    CAN     118.500    3.000
 BII      NAO    CAN    HAN     108.550    3.000
 BII      NAO    CAN    CAW     110.000    3.000
 BII      NAO    CAN    CAI     110.000    3.000
 BII      HAN    CAN    CAW     108.340    3.000
 BII      HAN    CAN    CAI     108.340    3.000
 BII      CAW    CAN    CAI     111.000    3.000
 BII      CAN    CAW    HAW3    109.470    3.000
 BII      CAN    CAW    HAW2    109.470    3.000
 BII      CAN    CAW    HAW1    109.470    3.000
 BII      HAW3   CAW    HAW2    109.470    3.000
 BII      HAW3   CAW    HAW1    109.470    3.000
 BII      HAW2   CAW    HAW1    109.470    3.000
 BII      CAN    CAI    HAI3    109.470    3.000
 BII      CAN    CAI    HAI2    109.470    3.000
 BII      CAN    CAI    HAI1    109.470    3.000
 BII      HAI3   CAI    HAI2    109.470    3.000
 BII      HAI3   CAI    HAI1    109.470    3.000
 BII      HAI2   CAI    HAI1    109.470    3.000
 BII      C5     C6     H6      120.000    3.000
 BII      C5     C6     N1      120.000    3.000
 BII      H6     C6     N1      120.000    3.000
 BII      C6     N1     C2      120.000    3.000
 BII      N1     C2     N3      120.000    3.000
 BII      N1     C2     NAH     120.000    3.000
 BII      N3     C2     NAH     120.000    3.000
 BII      C2     N3     C4      120.000    3.000
 BII      C2     NAH    CAM     120.000    3.000
 BII      NAH    CAM    CAS     120.000    3.000
 BII      NAH    CAM    CAT     120.000    3.000
 BII      CAS    CAM    CAT     120.000    3.000
 BII      CAM    CAS    HAS     120.000    3.000
 BII      CAM    CAS    CBA     120.000    3.000
 BII      HAS    CAS    CBA     120.000    3.000
 BII      CAS    CBA    HBA     120.000    3.000
 BII      CAS    CBA    CBD     120.000    3.000
 BII      HBA    CBA    CBD     120.000    3.000
 BII      CBA    CBD    HBD     109.500    3.000
 BII      CBA    CBD    CBB     109.500    3.000
 BII      CBA    CBD    NBE     109.500    3.000
 BII      HBD    CBD    CBB     109.500    3.000
 BII      HBD    CBD    NBE     109.470    3.000
 BII      CBB    CBD    NBE     109.500    3.000
 BII      CBD    CBB    HBB     120.000    3.000
 BII      CBD    CBB    CAT     120.000    3.000
 BII      HBB    CBB    CAT     120.000    3.000
 BII      CBB    CAT    OAU     120.000    3.000
 BII      CBB    CAT    CAM     120.000    3.000
 BII      OAU    CAT    CAM     120.000    3.000
 BII      CAT    OAU    CAV     120.000    3.000
 BII      OAU    CAV    HAV3    109.470    3.000
 BII      OAU    CAV    HAV2    109.470    3.000
 BII      OAU    CAV    HAV1    109.470    3.000
 BII      HAV3   CAV    HAV2    109.470    3.000
 BII      HAV3   CAV    HAV1    109.470    3.000
 BII      HAV2   CAV    HAV1    109.470    3.000
 BII      CBD    NBE    CBF     112.000    3.000
 BII      CBD    NBE    CBG     112.000    3.000
 BII      CBF    NBE    CBG     120.000    3.000
 BII      NBE    CBF    HBF1    109.470    3.000
 BII      NBE    CBF    HBF2    109.470    3.000
 BII      NBE    CBF    CBH     105.000    3.000
 BII      HBF1   CBF    HBF2    107.900    3.000
 BII      HBF1   CBF    CBH     109.470    3.000
 BII      HBF2   CBF    CBH     109.470    3.000
 BII      CBF    CBH    HBH1    109.470    3.000
 BII      CBF    CBH    HBH2    109.470    3.000
 BII      CBF    CBH    CBI     111.000    3.000
 BII      HBH1   CBH    HBH2    107.900    3.000
 BII      HBH1   CBH    CBI     109.470    3.000
 BII      HBH2   CBH    CBI     109.470    3.000
 BII      CBH    CBI    HBI     108.340    3.000
 BII      CBH    CBI    CBG     109.470    3.000
 BII      CBH    CBI    NBJ     110.000    3.000
 BII      HBI    CBI    CBG     108.340    3.000
 BII      HBI    CBI    NBJ     108.550    3.000
 BII      CBG    CBI    NBJ     110.000    3.000
 BII      CBI    CBG    HBG2    109.470    3.000
 BII      CBI    CBG    HBG1    109.470    3.000
 BII      CBI    CBG    NBE     105.000    3.000
 BII      HBG2   CBG    HBG1    107.900    3.000
 BII      HBG2   CBG    NBE     109.470    3.000
 BII      HBG1   CBG    NBE     109.470    3.000
 BII      CBI    NBJ    HBJ     118.500    3.000
 BII      CBI    NBJ    CBK     120.000    3.000
 BII      HBJ    NBJ    CBK     118.500    3.000
 BII      NBJ    CBK    HBK3    109.470    3.000
 BII      NBJ    CBK    HBK2    109.470    3.000
 BII      NBJ    CBK    HBK1    109.470    3.000
 BII      HBK3   CBK    HBK2    109.470    3.000
 BII      HBK3   CBK    HBK1    109.470    3.000
 BII      HBK2   CBK    HBK1    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
 BII      CONST_1  CL5    C5     C4     NAE        0.000    0.000   0
 BII      CONST_2  C5     C4     N3     C2         0.000    0.000   0
 BII      var_1    C5     C4     NAE    CAK     -176.473   20.000   1
 BII      var_2    C4     NAE    CAK    CAQ      151.643   20.000   1
 BII      CONST_3  NAE    CAK    CAR    CAZ      180.000    0.000   0
 BII      CONST_4  CAK    CAR    CAZ    CBC        0.000    0.000   0
 BII      CONST_5  CAR    CAZ    CBC    CAY        0.000    0.000   0
 BII      CONST_6  CAZ    CBC    CAY    CAQ        0.000    0.000   0
 BII      CONST_7  NAE    CAK    CAQ    SAP        0.000    0.000   0
 BII      CONST_8  CAK    CAQ    CAY    CBC        0.000    0.000   0
 BII      var_3    CAK    CAQ    SAP    NAO     -107.139   20.000   1
 BII      var_4    CAQ    SAP    NAO    CAN       38.448   20.000   1
 BII      var_5    SAP    NAO    CAN    CAI      135.106   20.000   3
 BII      var_6    NAO    CAN    CAW    HAW1    -116.337   20.000   3
 BII      var_7    NAO    CAN    CAI    HAI1    -110.281   20.000   3
 BII      CONST_9  CL5    C5     C6     N1       180.000    0.000   0
 BII      CONST_10 C5     C6     N1     C2         0.000    0.000   0
 BII      CONST_11 C6     N1     C2     NAH      180.000    0.000   0
 BII      CONST_12 N1     C2     N3     C4         0.000    0.000   0
 BII      var_8    N1     C2     NAH    CAM     -173.516   20.000   1
 BII      CONST_13 C2     NAH    CAM    CAS      -48.025    0.000   0
 BII      CONST_14 NAH    CAM    CAT    CBB      180.000    0.000   0
 BII      CONST_15 NAH    CAM    CAS    CBA      180.000    0.000   0
 BII      CONST_16 CAM    CAS    CBA    CBD        0.000    0.000   0
 BII      CONST_17 CAS    CBA    CBD    NBE      180.000    0.000   0
 BII      CONST_18 CBA    CBD    CBB    CAT        0.000    0.000   0
 BII      CONST_19 CBD    CBB    CAT    OAU      180.000    0.000   0
 BII      var_9    CBB    CAT    OAU    CAV        7.452   20.000   1
 BII      var_10   CAT    OAU    CAV    HAV1     -75.269   20.000   1
 BII      var_11   CBA    CBD    NBE    CBF     -178.354   20.000   3
 BII      var_12   CBD    NBE    CBG    CBI      150.000   20.000   1
 BII      var_13   CBD    NBE    CBF    CBH     -150.000   20.000   1
 BII      var_14   NBE    CBF    CBH    CBI        0.000   20.000   3
 BII      var_15   CBF    CBH    CBI    NBJ     -150.000   20.000   3
 BII      var_16   CBH    CBI    CBG    NBE       30.000   20.000   3
 BII      var_17   CBH    CBI    NBJ    CBK      108.793   20.000   3
 BII      var_18   CBI    NBJ    CBK    HBK1      59.670   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
 BII      chir_01  CAN    CAI    CAW    NAO       negativ
 BII      chir_02  SAP    NAO    OAX    OAJ       negativ
 BII      chir_03  CBD    CBB    CBA    NBE       negativ
 BII      chir_04  CBI    CBG    CBH    NBJ       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
 BII      plan-1    NAO       0.020
 BII      plan-1    CAN       0.020
 BII      plan-1    SAP       0.020
 BII      plan-1    HAO       0.020
 BII      plan-2    CAQ       0.020
 BII      plan-2    SAP       0.020
 BII      plan-2    CAY       0.020
 BII      plan-2    CAK       0.020
 BII      plan-2    CBC       0.020
 BII      plan-2    CAZ       0.020
 BII      plan-2    CAR       0.020
 BII      plan-2    HAY       0.020
 BII      plan-2    HBC       0.020
 BII      plan-2    HAZ       0.020
 BII      plan-2    HAR       0.020
 BII      plan-2    NAE       0.020
 BII      plan-2    HAE       0.020
 BII      plan-3    NAE       0.020
 BII      plan-3    CAK       0.020
 BII      plan-3    C4        0.020
 BII      plan-3    HAE       0.020
 BII      plan-4    C4        0.020
 BII      plan-4    NAE       0.020
 BII      plan-4    N3        0.020
 BII      plan-4    C5        0.020
 BII      plan-4    C6        0.020
 BII      plan-4    N1        0.020
 BII      plan-4    C2        0.020
 BII      plan-4    CL5       0.020
 BII      plan-4    H6        0.020
 BII      plan-4    NAH       0.020
 BII      plan-4    HAE       0.020
 BII      plan-5    NAH       0.020
 BII      plan-5    C2        0.020
 BII      plan-5    CAM       0.020
 BII      plan-5    CAT       0.020
 BII      plan-5    CAS       0.020
 BII      plan-5    CBB       0.020
 BII      plan-5    CBA       0.020
 BII      plan-5    CBD       0.020
 BII      plan-5    OAU       0.020
 BII      plan-5    HBB       0.020
 BII      plan-5    HAS       0.020
 BII      plan-5    HBA       0.020
 BII      plan-6    NBE       0.020
 BII      plan-6    CBD       0.020
 BII      plan-6    CBG       0.020
 BII      plan-6    CBF       0.020
 BII      plan-7    NBJ       0.020
 BII      plan-7    CBI       0.020
 BII      plan-7    CBK       0.020
 BII      plan-7    HBJ       0.020
# ------------------------------------------------------
