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
4ST      4ST '1,2,3,4-TETRAHYDROGEN-STAUROSPORINE ' non-polymer        65  35 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_4ST
#
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
 4ST           OAD    O    O         0.000      0.000    0.000    0.000
 4ST           CAS    C    CR5       0.000     -0.746    0.957    0.090
 4ST           NAP    N    NR15      0.000     -0.349    2.218    0.328
 4ST           HAP    H    H         0.000      0.634    2.530    0.464
 4ST           CAM    C    CH2       0.000     -1.534    3.082    0.364
 4ST           HAM1   H    H         0.000     -1.487    3.846   -0.414
 4ST           HAM2   H    H         0.000     -1.639    3.563    1.339
 4ST           CAU    C    CR56      0.000     -2.719    2.181    0.116
 4ST           CBA    C    CR56      0.000     -4.088    2.422    0.037
 4ST           CAX    C    CR56      0.000     -4.933    3.612    0.161
 4ST           CAG    C    CR16      0.000     -4.621    4.949    0.405
 4ST           HAG    H    H         0.000     -3.597    5.277    0.540
 4ST           CAE    C    CR16      0.000     -5.682    5.838    0.467
 4ST           HAE    H    H         0.000     -5.481    6.885    0.655
 4ST           CAF    C    CR16      0.000     -6.990    5.423    0.297
 4ST           HAF    H    H         0.000     -7.784    6.158    0.355
 4ST           CAH    C    CR16      0.000     -7.319    4.099    0.054
 4ST           HAH    H    H         0.000     -8.348    3.788   -0.078
 4ST           CAY    C    CR56      0.000     -6.269    3.185   -0.015
 4ST           CAW    C    CR56      0.000     -2.206    0.895   -0.046
 4ST           CAZ    C    CR56      0.000     -3.126   -0.210   -0.300
 4ST           CBB    C    CR56      0.000     -4.493    0.064   -0.379
 4ST           CBC    C    CR56      0.000     -4.972    1.364   -0.212
 4ST           NBH    N    NR5       0.000     -6.278    1.830   -0.245
 4ST           CBI    C    CT        0.000     -7.441    0.986   -0.503
 4ST           OAR    O    O2        0.000     -7.196   -0.096   -1.354
 4ST           CAC    C    CH3       0.000     -8.440    1.877   -1.242
 4ST           HAC3   H    H         0.000     -8.970    2.471   -0.543
 4ST           HAC2   H    H         0.000     -7.921    2.508   -1.917
 4ST           HAC1   H    H         0.000     -9.124    1.273   -1.780
 4ST           CBF    C    CH1       0.000     -8.153    0.595    0.786
 4ST           HBF    H    H         0.000     -9.167    0.235    0.562
 4ST           OAQ    O    O2        0.000     -8.215    1.724    1.658
 4ST           CAB    C    CH3       0.000     -9.401    1.577    2.441
 4ST           HAB3   H    H         0.000    -10.245    1.549    1.802
 4ST           HAB2   H    H         0.000     -9.349    0.676    2.996
 4ST           HAB1   H    H         0.000     -9.489    2.396    3.107
 4ST           CAT    C    CR5       0.000     -2.996   -1.600   -0.503
 4ST           CAK    C    CH2       0.000     -1.723   -2.410   -0.521
 4ST           HAK1   H    H         0.000     -1.074   -2.100    0.302
 4ST           HAK2   H    H         0.000     -1.201   -2.262   -1.469
 4ST           CAI    C    CH2       0.000     -2.083   -3.891   -0.360
 4ST           HAI1   H    H         0.000     -2.435   -4.072    0.658
 4ST           HAI2   H    H         0.000     -1.200   -4.504   -0.552
 4ST           CAJ    C    CH2       0.000     -3.187   -4.256   -1.356
 4ST           HAJ1   H    H         0.000     -3.319   -5.339   -1.371
 4ST           HAJ2   H    H         0.000     -2.906   -3.910   -2.353
 4ST           CAL    C    CH2       0.000     -4.499   -3.585   -0.932
 4ST           HAL2   H    H         0.000     -4.873   -4.047   -0.015
 4ST           HAL1   H    H         0.000     -5.244   -3.693   -1.723
 4ST           CAV    C    CR5       0.000     -4.232   -2.119   -0.686
 4ST           NBG    N    NR5       0.000     -5.145   -1.082   -0.639
 4ST           CBE    C    CH1       0.000     -6.588   -1.225   -0.789
 4ST           HBE    H    H         0.000     -6.736   -2.040   -1.511
 4ST           CAN    C    CH2       0.000     -7.237   -1.691    0.504
 4ST           HAN1   H    H         0.000     -6.630   -2.480    0.953
 4ST           HAN2   H    H         0.000     -8.235   -2.079    0.291
 4ST           CBD    C    CH1       0.000     -7.344   -0.510    1.477
 4ST           HBD    H    H         0.000     -7.857   -0.828    2.395
 4ST           NAO    N    NH1       0.000     -6.000   -0.012    1.804
 4ST           HNO    H    H         0.000     -5.510    0.743    1.347
 4ST           CAA    C    CH3       0.000     -5.509   -0.827    2.923
 4ST           HAA3   H    H         0.000     -5.470   -1.847    2.633
 4ST           HAA2   H    H         0.000     -4.537   -0.505    3.200
 4ST           HAA1   H    H         0.000     -6.160   -0.725    3.753
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
 4ST      OAD    n/a    CAS    START
 4ST      CAS    OAD    CAW    .
 4ST      NAP    CAS    CAM    .
 4ST      HAP    NAP    .      .
 4ST      CAM    NAP    CAU    .
 4ST      HAM1   CAM    .      .
 4ST      HAM2   CAM    .      .
 4ST      CAU    CAM    CBA    .
 4ST      CBA    CAU    CAX    .
 4ST      CAX    CBA    CAY    .
 4ST      CAG    CAX    CAE    .
 4ST      HAG    CAG    .      .
 4ST      CAE    CAG    CAF    .
 4ST      HAE    CAE    .      .
 4ST      CAF    CAE    CAH    .
 4ST      HAF    CAF    .      .
 4ST      CAH    CAF    HAH    .
 4ST      HAH    CAH    .      .
 4ST      CAY    CAX    .      .
 4ST      CAW    CAS    CAZ    .
 4ST      CAZ    CAW    CAT    .
 4ST      CBB    CAZ    CBC    .
 4ST      CBC    CBB    NBH    .
 4ST      NBH    CBC    CBI    .
 4ST      CBI    NBH    CBF    .
 4ST      OAR    CBI    .      .
 4ST      CAC    CBI    HAC1   .
 4ST      HAC3   CAC    .      .
 4ST      HAC2   CAC    .      .
 4ST      HAC1   CAC    .      .
 4ST      CBF    CBI    OAQ    .
 4ST      HBF    CBF    .      .
 4ST      OAQ    CBF    CAB    .
 4ST      CAB    OAQ    HAB1   .
 4ST      HAB3   CAB    .      .
 4ST      HAB2   CAB    .      .
 4ST      HAB1   CAB    .      .
 4ST      CAT    CAZ    CAV    .
 4ST      CAK    CAT    CAI    .
 4ST      HAK1   CAK    .      .
 4ST      HAK2   CAK    .      .
 4ST      CAI    CAK    CAJ    .
 4ST      HAI1   CAI    .      .
 4ST      HAI2   CAI    .      .
 4ST      CAJ    CAI    CAL    .
 4ST      HAJ1   CAJ    .      .
 4ST      HAJ2   CAJ    .      .
 4ST      CAL    CAJ    HAL1   .
 4ST      HAL2   CAL    .      .
 4ST      HAL1   CAL    .      .
 4ST      CAV    CAT    NBG    .
 4ST      NBG    CAV    CBE    .
 4ST      CBE    NBG    CAN    .
 4ST      HBE    CBE    .      .
 4ST      CAN    CBE    CBD    .
 4ST      HAN1   CAN    .      .
 4ST      HAN2   CAN    .      .
 4ST      CBD    CAN    NAO    .
 4ST      HBD    CBD    .      .
 4ST      NAO    CBD    CAA    .
 4ST      HNO    NAO    .      .
 4ST      CAA    NAO    HAA1   .
 4ST      HAA3   CAA    .      .
 4ST      HAA2   CAA    .      .
 4ST      HAA1   CAA    .      END
 4ST      CBF    CBD    .    ADD
 4ST      CBE    OAR    .    ADD
 4ST      NBH    CAY    .    ADD
 4ST      CAY    CAH    .    ADD
 4ST      CBA    CBC    .    ADD
 4ST      CBB    NBG    .    ADD
 4ST      CAV    CAL    .    ADD
 4ST      CAW    CAU    .    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
 4ST      CAB    OAQ       single      1.426    0.020
 4ST      HAB1   CAB       single      1.059    0.020
 4ST      HAB2   CAB       single      1.059    0.020
 4ST      HAB3   CAB       single      1.059    0.020
 4ST      OAQ    CBF       single      1.426    0.020
 4ST      CBF    CBD       single      1.524    0.020
 4ST      CBF    CBI       single      1.524    0.020
 4ST      HBF    CBF       single      1.099    0.020
 4ST      NAO    CBD       single      1.450    0.020
 4ST      CBD    CAN       single      1.524    0.020
 4ST      HBD    CBD       single      1.099    0.020
 4ST      CAA    NAO       single      1.450    0.020
 4ST      HNO    NAO       single      1.010    0.020
 4ST      HAA1   CAA       single      1.059    0.020
 4ST      HAA2   CAA       single      1.059    0.020
 4ST      HAA3   CAA       single      1.059    0.020
 4ST      CAN    CBE       single      1.524    0.020
 4ST      HAN1   CAN       single      1.092    0.020
 4ST      HAN2   CAN       single      1.092    0.020
 4ST      CBE    OAR       single      1.426    0.020
 4ST      CBE    NBG       single      1.485    0.020
 4ST      HBE    CBE       single      1.099    0.020
 4ST      OAR    CBI       single      1.426    0.020
 4ST      CAC    CBI       single      1.524    0.020
 4ST      CBI    NBH       single      1.485    0.020
 4ST      HAC1   CAC       single      1.059    0.020
 4ST      HAC2   CAC       single      1.059    0.020
 4ST      HAC3   CAC       single      1.059    0.020
 4ST      NBH    CAY       single      1.337    0.020
 4ST      NBH    CBC       single      1.337    0.020
 4ST      CAY    CAH       double      1.390    0.020
 4ST      CAY    CAX       single      1.490    0.020
 4ST      CAH    CAF       single      1.390    0.020
 4ST      HAH    CAH       single      1.083    0.020
 4ST      CAF    CAE       double      1.390    0.020
 4ST      HAF    CAF       single      1.083    0.020
 4ST      CAE    CAG       single      1.390    0.020
 4ST      HAE    CAE       single      1.083    0.020
 4ST      CAG    CAX       double      1.390    0.020
 4ST      HAG    CAG       single      1.083    0.020
 4ST      CAX    CBA       single      1.490    0.020
 4ST      CBA    CBC       double      1.490    0.020
 4ST      CBA    CAU       single      1.490    0.020
 4ST      CBC    CBB       single      1.490    0.020
 4ST      CBB    NBG       single      1.337    0.020
 4ST      CBB    CAZ       double      1.490    0.020
 4ST      NBG    CAV       single      1.337    0.020
 4ST      CAV    CAL       single      1.510    0.020
 4ST      CAV    CAT       double      1.490    0.020
 4ST      CAL    CAJ       single      1.524    0.020
 4ST      HAL1   CAL       single      1.092    0.020
 4ST      HAL2   CAL       single      1.092    0.020
 4ST      CAJ    CAI       single      1.524    0.020
 4ST      HAJ1   CAJ       single      1.092    0.020
 4ST      HAJ2   CAJ       single      1.092    0.020
 4ST      CAI    CAK       single      1.524    0.020
 4ST      HAI1   CAI       single      1.092    0.020
 4ST      HAI2   CAI       single      1.092    0.020
 4ST      CAK    CAT       single      1.510    0.020
 4ST      HAK1   CAK       single      1.092    0.020
 4ST      HAK2   CAK       single      1.092    0.020
 4ST      CAT    CAZ       single      1.490    0.020
 4ST      CAZ    CAW       single      1.490    0.020
 4ST      CAW    CAU       double      1.490    0.020
 4ST      CAW    CAS       single      1.490    0.020
 4ST      CAU    CAM       single      1.457    0.020
 4ST      CAM    NAP       single      1.462    0.020
 4ST      HAM1   CAM       single      1.092    0.020
 4ST      HAM2   CAM       single      1.092    0.020
 4ST      NAP    CAS       single      1.340    0.020
 4ST      HAP    NAP       single      1.040    0.020
 4ST      CAS    OAD       double      1.285    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
 4ST      OAD    CAS    NAP     108.000    3.000
 4ST      OAD    CAS    CAW     108.000    3.000
 4ST      NAP    CAS    CAW     108.000    3.000
 4ST      CAS    NAP    HAP     126.000    3.000
 4ST      CAS    NAP    CAM     108.000    3.000
 4ST      HAP    NAP    CAM     108.000    3.000
 4ST      NAP    CAM    HAM1    109.500    3.000
 4ST      NAP    CAM    HAM2    109.500    3.000
 4ST      NAP    CAM    CAU     109.500    3.000
 4ST      HAM1   CAM    HAM2    107.900    3.000
 4ST      HAM1   CAM    CAU     109.500    3.000
 4ST      HAM2   CAM    CAU     109.500    3.000
 4ST      CAM    CAU    CBA     120.000    3.000
 4ST      CAM    CAU    CAW     120.000    3.000
 4ST      CBA    CAU    CAW     120.000    3.000
 4ST      CAU    CBA    CAX     120.000    3.000
 4ST      CAU    CBA    CBC     120.000    3.000
 4ST      CAX    CBA    CBC     120.000    3.000
 4ST      CBA    CAX    CAG     120.000    3.000
 4ST      CBA    CAX    CAY     120.000    3.000
 4ST      CAG    CAX    CAY     120.000    3.000
 4ST      CAX    CAG    HAG     120.000    3.000
 4ST      CAX    CAG    CAE     120.000    3.000
 4ST      HAG    CAG    CAE     120.000    3.000
 4ST      CAG    CAE    HAE     120.000    3.000
 4ST      CAG    CAE    CAF     120.000    3.000
 4ST      HAE    CAE    CAF     120.000    3.000
 4ST      CAE    CAF    HAF     120.000    3.000
 4ST      CAE    CAF    CAH     120.000    3.000
 4ST      HAF    CAF    CAH     120.000    3.000
 4ST      CAF    CAH    HAH     120.000    3.000
 4ST      CAF    CAH    CAY     120.000    3.000
 4ST      HAH    CAH    CAY     120.000    3.000
 4ST      CAX    CAY    NBH     108.000    3.000
 4ST      CAX    CAY    CAH     120.000    3.000
 4ST      NBH    CAY    CAH     132.000    3.000
 4ST      CAS    CAW    CAZ     108.000    3.000
 4ST      CAS    CAW    CAU     108.000    3.000
 4ST      CAZ    CAW    CAU     120.000    3.000
 4ST      CAW    CAZ    CBB     120.000    3.000
 4ST      CAW    CAZ    CAT     108.000    3.000
 4ST      CBB    CAZ    CAT     108.000    3.000
 4ST      CAZ    CBB    CBC     120.000    3.000
 4ST      CAZ    CBB    NBG     108.000    3.000
 4ST      CBC    CBB    NBG     108.000    3.000
 4ST      CBB    CBC    NBH     108.000    3.000
 4ST      CBB    CBC    CBA     120.000    3.000
 4ST      NBH    CBC    CBA     108.000    3.000
 4ST      CBC    NBH    CBI     108.000    3.000
 4ST      CBC    NBH    CAY     108.000    3.000
 4ST      CBI    NBH    CAY     108.000    3.000
 4ST      NBH    CBI    OAR     109.470    3.000
 4ST      NBH    CBI    CAC     109.500    3.000
 4ST      NBH    CBI    CBF     109.500    3.000
 4ST      OAR    CBI    CAC     109.470    3.000
 4ST      OAR    CBI    CBF     109.470    3.000
 4ST      CAC    CBI    CBF     111.000    3.000
 4ST      CBI    OAR    CBE     111.800    3.000
 4ST      CBI    CAC    HAC3    109.470    3.000
 4ST      CBI    CAC    HAC2    109.470    3.000
 4ST      CBI    CAC    HAC1    109.470    3.000
 4ST      HAC3   CAC    HAC2    109.470    3.000
 4ST      HAC3   CAC    HAC1    109.470    3.000
 4ST      HAC2   CAC    HAC1    109.470    3.000
 4ST      CBI    CBF    HBF     108.340    3.000
 4ST      CBI    CBF    OAQ     109.470    3.000
 4ST      CBI    CBF    CBD     111.000    3.000
 4ST      HBF    CBF    OAQ     109.470    3.000
 4ST      HBF    CBF    CBD     108.340    3.000
 4ST      OAQ    CBF    CBD     109.470    3.000
 4ST      CBF    OAQ    CAB     111.800    3.000
 4ST      OAQ    CAB    HAB3    109.470    3.000
 4ST      OAQ    CAB    HAB2    109.470    3.000
 4ST      OAQ    CAB    HAB1    109.470    3.000
 4ST      HAB3   CAB    HAB2    109.470    3.000
 4ST      HAB3   CAB    HAB1    109.470    3.000
 4ST      HAB2   CAB    HAB1    109.470    3.000
 4ST      CAZ    CAT    CAK     126.000    3.000
 4ST      CAZ    CAT    CAV     108.000    3.000
 4ST      CAK    CAT    CAV     126.000    3.000
 4ST      CAT    CAK    HAK1    109.470    3.000
 4ST      CAT    CAK    HAK2    109.470    3.000
 4ST      CAT    CAK    CAI     109.470    3.000
 4ST      HAK1   CAK    HAK2    107.900    3.000
 4ST      HAK1   CAK    CAI     109.470    3.000
 4ST      HAK2   CAK    CAI     109.470    3.000
 4ST      CAK    CAI    HAI1    109.470    3.000
 4ST      CAK    CAI    HAI2    109.470    3.000
 4ST      CAK    CAI    CAJ     111.000    3.000
 4ST      HAI1   CAI    HAI2    107.900    3.000
 4ST      HAI1   CAI    CAJ     109.470    3.000
 4ST      HAI2   CAI    CAJ     109.470    3.000
 4ST      CAI    CAJ    HAJ1    109.470    3.000
 4ST      CAI    CAJ    HAJ2    109.470    3.000
 4ST      CAI    CAJ    CAL     111.000    3.000
 4ST      HAJ1   CAJ    HAJ2    107.900    3.000
 4ST      HAJ1   CAJ    CAL     109.470    3.000
 4ST      HAJ2   CAJ    CAL     109.470    3.000
 4ST      CAJ    CAL    HAL2    109.470    3.000
 4ST      CAJ    CAL    HAL1    109.470    3.000
 4ST      CAJ    CAL    CAV     109.470    3.000
 4ST      HAL2   CAL    HAL1    107.900    3.000
 4ST      HAL2   CAL    CAV     109.470    3.000
 4ST      HAL1   CAL    CAV     109.470    3.000
 4ST      CAT    CAV    NBG     108.000    3.000
 4ST      CAT    CAV    CAL     126.000    3.000
 4ST      NBG    CAV    CAL     126.000    3.000
 4ST      CAV    NBG    CBE     126.000    3.000
 4ST      CAV    NBG    CBB     108.000    3.000
 4ST      CBE    NBG    CBB     126.000    3.000
 4ST      NBG    CBE    HBE     109.470    3.000
 4ST      NBG    CBE    CAN     109.470    3.000
 4ST      NBG    CBE    OAR     109.470    3.000
 4ST      HBE    CBE    CAN     108.340    3.000
 4ST      HBE    CBE    OAR     109.470    3.000
 4ST      CAN    CBE    OAR     109.470    3.000
 4ST      CBE    CAN    HAN1    109.470    3.000
 4ST      CBE    CAN    HAN2    109.470    3.000
 4ST      CBE    CAN    CBD     111.000    3.000
 4ST      HAN1   CAN    HAN2    107.900    3.000
 4ST      HAN1   CAN    CBD     109.470    3.000
 4ST      HAN2   CAN    CBD     109.470    3.000
 4ST      CAN    CBD    HBD     108.340    3.000
 4ST      CAN    CBD    NAO     110.000    3.000
 4ST      CAN    CBD    CBF     111.000    3.000
 4ST      HBD    CBD    NAO     108.550    3.000
 4ST      HBD    CBD    CBF     108.340    3.000
 4ST      NAO    CBD    CBF     110.000    3.000
 4ST      CBD    NAO    HNO     118.500    3.000
 4ST      CBD    NAO    CAA     120.000    3.000
 4ST      HNO    NAO    CAA     118.500    3.000
 4ST      NAO    CAA    HAA3    109.470    3.000
 4ST      NAO    CAA    HAA2    109.470    3.000
 4ST      NAO    CAA    HAA1    109.470    3.000
 4ST      HAA3   CAA    HAA2    109.470    3.000
 4ST      HAA3   CAA    HAA1    109.470    3.000
 4ST      HAA2   CAA    HAA1    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
 4ST      CONST_1  OAD    CAS    NAP    CAM      180.000    0.000   0
 4ST      CONST_2  CAS    NAP    CAM    CAU        0.000    0.000   0
 4ST      CONST_3  NAP    CAM    CAU    CBA      180.000    0.000   0
 4ST      CONST_4  CAM    CAU    CBA    CAX        0.000    0.000   0
 4ST      CONST_5  CAU    CBA    CBC    CBB        0.000    0.000   0
 4ST      CONST_6  CAU    CBA    CAX    CAY      180.000    0.000   0
 4ST      CONST_7  CBA    CAX    CAG    CAE      180.000    0.000   0
 4ST      CONST_8  CAX    CAG    CAE    CAF        0.000    0.000   0
 4ST      CONST_9  CAG    CAE    CAF    CAH        0.000    0.000   0
 4ST      CONST_10 CAE    CAF    CAH    CAY        0.000    0.000   0
 4ST      CONST_11 CBA    CAX    CAY    NBH        0.000    0.000   0
 4ST      CONST_12 CAX    CAY    CAH    CAF        0.000    0.000   0
 4ST      CONST_13 OAD    CAS    CAW    CAZ        0.000    0.000   0
 4ST      CONST_14 CAS    CAW    CAU    CAM        0.000    0.000   0
 4ST      CONST_15 CAS    CAW    CAZ    CAT        0.000    0.000   0
 4ST      CONST_16 CAW    CAZ    CBB    CBC        0.000    0.000   0
 4ST      CONST_17 CAZ    CBB    NBG    CAV        0.000    0.000   0
 4ST      CONST_18 CAZ    CBB    CBC    NBH      180.000    0.000   0
 4ST      CONST_19 CBB    CBC    NBH    CBI        0.000    0.000   0
 4ST      CONST_20 CBC    NBH    CAY    CAX        0.000    0.000   0
 4ST      var_1    CBC    NBH    CBI    CBF       99.399   20.000   1
 4ST      var_2    NBH    CBI    OAR    CBE       90.000   20.000   1
 4ST      var_3    NBH    CBI    CAC    HAC1     158.383   20.000   1
 4ST      var_4    NBH    CBI    CBF    OAQ       30.000   20.000   1
 4ST      var_5    CBI    CBF    CBD    CAN      -60.000   20.000   3
 4ST      var_6    CBI    CBF    OAQ    CAB      149.984   20.000   1
 4ST      var_7    CBF    OAQ    CAB    HAB1     179.975   20.000   1
 4ST      CONST_21 CAW    CAZ    CAT    CAV      180.000    0.000   0
 4ST      var_8    CAZ    CAT    CAK    CAI      150.000   20.000   2
 4ST      var_9    CAT    CAK    CAI    CAJ       60.000   20.000   3
 4ST      var_10   CAK    CAI    CAJ    CAL      -60.000   20.000   3
 4ST      var_11   CAI    CAJ    CAL    CAV       60.000   20.000   3
 4ST      CONST_22 CAZ    CAT    CAV    NBG        0.000    0.000   0
 4ST      var_12   CAT    CAV    CAL    CAJ      -30.000   20.000   2
 4ST      CONST_23 CAT    CAV    NBG    CBE      180.000    0.000   0
 4ST      var_13   CAV    NBG    CBE    CAN       80.228   20.000   1
 4ST      var_14   NBG    CBE    OAR    CBI      -90.000   20.000   1
 4ST      var_15   NBG    CBE    CAN    CBD       90.000   20.000   3
 4ST      var_16   CBE    CAN    CBD    NAO      -60.000   20.000   3
 4ST      var_17   CAN    CBD    NAO    CAA      -85.897   20.000   3
 4ST      var_18   CBD    NAO    CAA    HAA1     -59.912   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
 4ST      chir_01  CBF    OAQ    CBD    CBI       positiv
 4ST      chir_02  CBD    CBF    NAO    CAN       positiv
 4ST      chir_03  CBE    CAN    OAR    NBG       negativ
 4ST      chir_04  CBI    CBF    OAR    CAC       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
 4ST      plan-1    NAO       0.020
 4ST      plan-1    CBD       0.020
 4ST      plan-1    CAA       0.020
 4ST      plan-1    HNO       0.020
 4ST      plan-2    NBH       0.020
 4ST      plan-2    CBI       0.020
 4ST      plan-2    CAY       0.020
 4ST      plan-2    CBC       0.020
 4ST      plan-2    CAH       0.020
 4ST      plan-2    CAX       0.020
 4ST      plan-2    CAF       0.020
 4ST      plan-2    CAE       0.020
 4ST      plan-2    CAG       0.020
 4ST      plan-2    HAH       0.020
 4ST      plan-2    HAF       0.020
 4ST      plan-2    HAE       0.020
 4ST      plan-2    HAG       0.020
 4ST      plan-2    CBA       0.020
 4ST      plan-2    CAU       0.020
 4ST      plan-2    CBB       0.020
 4ST      plan-2    NBG       0.020
 4ST      plan-2    CAZ       0.020
 4ST      plan-2    CAV       0.020
 4ST      plan-2    CAT       0.020
 4ST      plan-2    CBE       0.020
 4ST      plan-2    CAL       0.020
 4ST      plan-2    CAK       0.020
 4ST      plan-2    CAW       0.020
 4ST      plan-2    CAS       0.020
 4ST      plan-2    CAM       0.020
 4ST      plan-2    NAP       0.020
 4ST      plan-2    HAP       0.020
 4ST      plan-2    OAD       0.020
# ------------------------------------------------------
