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
V2H      V2H '(1S,3R,5Z,7E,22E)-9,10-secoergosta-5' non-polymer        74  30 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_V2H
#
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
 V2H           OAG    O    OH1       0.000      0.000    0.000    0.000
 V2H           HOAG   H    H         0.000      0.084   -0.833    0.483
 V2H           CAZ    C    CH1       0.000     -1.384    0.319   -0.161
 V2H           HAZ    H    H         0.000     -1.852    0.420    0.828
 V2H           CAO    C    CH2       0.000     -1.517    1.637   -0.923
 V2H           HAOA   H    H         0.000     -1.147    1.502   -1.942
 V2H           HAO    H    H         0.000     -0.925    2.405   -0.421
 V2H           CAS    C    CH2       0.000     -2.077   -0.804   -0.939
 V2H           HAS    H    H         0.000     -2.024   -1.738   -0.375
 V2H           HASA   H    H         0.000     -1.595   -0.939   -1.910
 V2H           CAU    C    C         0.000     -3.528   -0.418   -1.144
 V2H           CAT    C    C         0.000     -3.791    0.959   -1.613
 V2H           CAA    C    C2        0.000     -4.692    1.212   -2.563
 V2H           HAAA   H    H         0.000     -5.252    0.405   -3.011
 V2H           HAA    H    H         0.000     -4.866    2.226   -2.890
 V2H           CAN    C    CH1       0.000     -2.987    2.067   -0.964
 V2H           HAN    H    H         0.000     -3.087    2.990   -1.552
 V2H           O30    O    OH1       0.000     -3.461    2.289    0.366
 V2H           HO30   H    H         0.000     -4.393    2.544    0.337
 V2H           CAH    C    C1        0.000     -4.532   -1.288   -0.907
 V2H           HAH    H    H         0.000     -4.310   -2.285   -0.566
 V2H           CAI    C    C1        0.000     -5.922   -0.877   -1.115
 V2H           HAI    H    H         0.000     -6.142    0.120   -1.457
 V2H           CAV    C    C         0.000     -6.914   -1.737   -0.883
 V2H           CBA    C    CH1       0.000     -8.356   -1.372   -1.072
 V2H           HBA    H    H         0.000     -8.821   -1.999   -1.846
 V2H           CAP    C    CH2       0.000     -8.664    0.109   -1.312
 V2H           HAP    H    H         0.000     -8.567    0.394   -2.362
 V2H           HAPA   H    H         0.000     -8.050    0.771   -0.698
 V2H           CAQ    C    CH2       0.000    -10.136    0.226   -0.881
 V2H           HAQ    H    H         0.000    -10.805    0.116   -1.737
 V2H           HAQA   H    H         0.000    -10.326    1.184   -0.392
 V2H           CBB    C    CH1       0.000    -10.387   -0.928    0.125
 V2H           HBB    H    H         0.000    -11.114   -1.642   -0.287
 V2H           CBC    C    CT        0.000     -9.033   -1.598    0.304
 V2H           CAF    C    CH3       0.000     -8.240   -0.853    1.380
 V2H           HAFB   H    H         0.000     -8.251    0.186    1.174
 V2H           HAFA   H    H         0.000     -8.678   -1.028    2.329
 V2H           HAF    H    H         0.000     -7.238   -1.199    1.386
 V2H           CAR    C    CH2       0.000     -8.998   -3.080    0.594
 V2H           HAR    H    H         0.000     -9.401   -3.642   -0.250
 V2H           HARA   H    H         0.000     -9.579   -3.305    1.491
 V2H           CAL    C    CH2       0.000     -7.529   -3.473    0.821
 V2H           HAL    H    H         0.000     -7.490   -4.545    1.029
 V2H           HALA   H    H         0.000     -7.156   -2.922    1.686
 V2H           CAM    C    CH2       0.000     -6.663   -3.158   -0.398
 V2H           HAMA   H    H         0.000     -6.906   -3.864   -1.195
 V2H           HAM    H    H         0.000     -5.613   -3.270   -0.122
 V2H           CAY    C    CH1       0.000    -10.885   -0.371    1.460
 V2H           HAY    H    H         0.000    -10.167    0.369    1.839
 V2H           CAE    C    CH3       0.000    -11.022   -1.513    2.469
 V2H           HAEB   H    H         0.000    -10.080   -1.977    2.610
 V2H           HAEA   H    H         0.000    -11.367   -1.129    3.394
 V2H           HAE    H    H         0.000    -11.715   -2.227    2.105
 V2H           CAK    C    C1        0.000    -12.226    0.287    1.260
 V2H           HAK    H    H         0.000    -13.059   -0.289    0.891
 V2H           CAJ    C    C1        0.000    -12.380    1.558    1.535
 V2H           HAJ    H    H         0.000    -11.547    2.133    1.904
 V2H           CAX    C    CH1       0.000    -13.721    2.216    1.337
 V2H           HAX    H    H         0.000    -14.439    1.476    0.957
 V2H           CAD    C    CH3       0.000    -13.583    3.358    0.327
 V2H           HADB   H    H         0.000    -12.891    4.072    0.692
 V2H           HADA   H    H         0.000    -13.238    2.973   -0.598
 V2H           HAD    H    H         0.000    -14.525    3.821    0.186
 V2H           CAW    C    CH1       0.000    -14.219    2.772    2.672
 V2H           HAW    H    H         0.000    -13.501    3.513    3.051
 V2H           CAC    C    CH3       0.000    -14.355    1.632    3.681
 V2H           HACB   H    H         0.000    -14.700    2.016    4.606
 V2H           HACA   H    H         0.000    -15.048    0.917    3.317
 V2H           HAC    H    H         0.000    -13.413    1.168    3.821
 V2H           CAB    C    CH3       0.000    -15.580    3.441    2.469
 V2H           HABB   H    H         0.000    -15.927    3.827    3.393
 V2H           HABA   H    H         0.000    -15.486    4.232    1.770
 V2H           HAB    H    H         0.000    -16.274    2.729    2.103
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
 V2H      OAG    n/a    CAZ    START
 V2H      HOAG   OAG    .      .
 V2H      CAZ    OAG    CAS    .
 V2H      HAZ    CAZ    .      .
 V2H      CAO    CAZ    HAO    .
 V2H      HAOA   CAO    .      .
 V2H      HAO    CAO    .      .
 V2H      CAS    CAZ    CAU    .
 V2H      HAS    CAS    .      .
 V2H      HASA   CAS    .      .
 V2H      CAU    CAS    CAH    .
 V2H      CAT    CAU    CAN    .
 V2H      CAA    CAT    HAA    .
 V2H      HAAA   CAA    .      .
 V2H      HAA    CAA    .      .
 V2H      CAN    CAT    O30    .
 V2H      HAN    CAN    .      .
 V2H      O30    CAN    HO30   .
 V2H      HO30   O30    .      .
 V2H      CAH    CAU    CAI    .
 V2H      HAH    CAH    .      .
 V2H      CAI    CAH    CAV    .
 V2H      HAI    CAI    .      .
 V2H      CAV    CAI    CBA    .
 V2H      CBA    CAV    CAP    .
 V2H      HBA    CBA    .      .
 V2H      CAP    CBA    CAQ    .
 V2H      HAP    CAP    .      .
 V2H      HAPA   CAP    .      .
 V2H      CAQ    CAP    CBB    .
 V2H      HAQ    CAQ    .      .
 V2H      HAQA   CAQ    .      .
 V2H      CBB    CAQ    CAY    .
 V2H      HBB    CBB    .      .
 V2H      CBC    CBB    CAR    .
 V2H      CAF    CBC    HAF    .
 V2H      HAFB   CAF    .      .
 V2H      HAFA   CAF    .      .
 V2H      HAF    CAF    .      .
 V2H      CAR    CBC    CAL    .
 V2H      HAR    CAR    .      .
 V2H      HARA   CAR    .      .
 V2H      CAL    CAR    CAM    .
 V2H      HAL    CAL    .      .
 V2H      HALA   CAL    .      .
 V2H      CAM    CAL    HAM    .
 V2H      HAMA   CAM    .      .
 V2H      HAM    CAM    .      .
 V2H      CAY    CBB    CAK    .
 V2H      HAY    CAY    .      .
 V2H      CAE    CAY    HAE    .
 V2H      HAEB   CAE    .      .
 V2H      HAEA   CAE    .      .
 V2H      HAE    CAE    .      .
 V2H      CAK    CAY    CAJ    .
 V2H      HAK    CAK    .      .
 V2H      CAJ    CAK    CAX    .
 V2H      HAJ    CAJ    .      .
 V2H      CAX    CAJ    CAW    .
 V2H      HAX    CAX    .      .
 V2H      CAD    CAX    HAD    .
 V2H      HADB   CAD    .      .
 V2H      HADA   CAD    .      .
 V2H      HAD    CAD    .      .
 V2H      CAW    CAX    CAB    .
 V2H      HAW    CAW    .      .
 V2H      CAC    CAW    HAC    .
 V2H      HACB   CAC    .      .
 V2H      HACA   CAC    .      .
 V2H      HAC    CAC    .      .
 V2H      CAB    CAW    HAB    .
 V2H      HABB   CAB    .      .
 V2H      HABA   CAB    .      .
 V2H      HAB    CAB    .      END
 V2H      CAN    CAO    .    ADD
 V2H      CAV    CAM    .    ADD
 V2H      CBC    CBA    .    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
 V2H      O30    CAN       single      1.432    0.020
 V2H      HO30   O30       single      0.967    0.020
 V2H      CAN    CAT       single      1.500    0.020
 V2H      CAN    CAO       single      1.524    0.020
 V2H      HAN    CAN       single      1.099    0.020
 V2H      CAO    CAZ       single      1.524    0.020
 V2H      HAO    CAO       single      1.092    0.020
 V2H      HAOA   CAO       single      1.092    0.020
 V2H      CAZ    OAG       single      1.432    0.020
 V2H      CAS    CAZ       single      1.524    0.020
 V2H      HAZ    CAZ       single      1.099    0.020
 V2H      HOAG   OAG       single      0.967    0.020
 V2H      CAA    CAT       double      1.320    0.020
 V2H      CAT    CAU       single      1.460    0.020
 V2H      HAA    CAA       single      1.077    0.020
 V2H      HAAA   CAA       single      1.077    0.020
 V2H      CAH    CAU       double      1.340    0.020
 V2H      CAU    CAS       single      1.510    0.020
 V2H      HAS    CAS       single      1.092    0.020
 V2H      HASA   CAS       single      1.092    0.020
 V2H      CAI    CAH       single      1.460    0.020
 V2H      HAH    CAH       single      1.077    0.020
 V2H      CAV    CAI       double      1.340    0.020
 V2H      HAI    CAI       single      1.077    0.020
 V2H      CBA    CAV       single      1.500    0.020
 V2H      CAV    CAM       single      1.510    0.020
 V2H      CAM    CAL       single      1.524    0.020
 V2H      HAM    CAM       single      1.092    0.020
 V2H      HAMA   CAM       single      1.092    0.020
 V2H      CAL    CAR       single      1.524    0.020
 V2H      HAL    CAL       single      1.092    0.020
 V2H      HALA   CAL       single      1.092    0.020
 V2H      CAR    CBC       single      1.524    0.020
 V2H      HAR    CAR       single      1.092    0.020
 V2H      HARA   CAR       single      1.092    0.020
 V2H      CBC    CBB       single      1.524    0.020
 V2H      CBC    CBA       single      1.524    0.020
 V2H      CAF    CBC       single      1.524    0.020
 V2H      CAP    CBA       single      1.524    0.020
 V2H      HBA    CBA       single      1.099    0.020
 V2H      HAF    CAF       single      1.059    0.020
 V2H      HAFA   CAF       single      1.059    0.020
 V2H      HAFB   CAF       single      1.059    0.020
 V2H      CBB    CAQ       single      1.524    0.020
 V2H      CAY    CBB       single      1.524    0.020
 V2H      HBB    CBB       single      1.099    0.020
 V2H      CAQ    CAP       single      1.524    0.020
 V2H      HAQ    CAQ       single      1.092    0.020
 V2H      HAQA   CAQ       single      1.092    0.020
 V2H      HAP    CAP       single      1.092    0.020
 V2H      HAPA   CAP       single      1.092    0.020
 V2H      CAK    CAY       single      1.510    0.020
 V2H      CAE    CAY       single      1.524    0.020
 V2H      HAY    CAY       single      1.099    0.020
 V2H      HAE    CAE       single      1.059    0.020
 V2H      HAEA   CAE       single      1.059    0.020
 V2H      HAEB   CAE       single      1.059    0.020
 V2H      CAJ    CAK       double      1.330    0.020
 V2H      HAK    CAK       single      1.077    0.020
 V2H      CAX    CAJ       single      1.510    0.020
 V2H      HAJ    CAJ       single      1.077    0.020
 V2H      CAW    CAX       single      1.524    0.020
 V2H      CAD    CAX       single      1.524    0.020
 V2H      HAX    CAX       single      1.099    0.020
 V2H      HAD    CAD       single      1.059    0.020
 V2H      HADA   CAD       single      1.059    0.020
 V2H      HADB   CAD       single      1.059    0.020
 V2H      CAB    CAW       single      1.524    0.020
 V2H      CAC    CAW       single      1.524    0.020
 V2H      HAW    CAW       single      1.099    0.020
 V2H      HAB    CAB       single      1.059    0.020
 V2H      HABA   CAB       single      1.059    0.020
 V2H      HABB   CAB       single      1.059    0.020
 V2H      HAC    CAC       single      1.059    0.020
 V2H      HACA   CAC       single      1.059    0.020
 V2H      HACB   CAC       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
 V2H      HOAG   OAG    CAZ     109.470    3.000
 V2H      OAG    CAZ    HAZ     109.470    3.000
 V2H      OAG    CAZ    CAO     109.470    3.000
 V2H      OAG    CAZ    CAS     109.470    3.000
 V2H      HAZ    CAZ    CAO     108.340    3.000
 V2H      HAZ    CAZ    CAS     108.340    3.000
 V2H      CAO    CAZ    CAS     109.470    3.000
 V2H      CAZ    CAO    HAOA    109.470    3.000
 V2H      CAZ    CAO    HAO     109.470    3.000
 V2H      CAZ    CAO    CAN     111.000    3.000
 V2H      HAOA   CAO    HAO     107.900    3.000
 V2H      HAOA   CAO    CAN     109.470    3.000
 V2H      HAO    CAO    CAN     109.470    3.000
 V2H      CAZ    CAS    HAS     109.470    3.000
 V2H      CAZ    CAS    HASA    109.470    3.000
 V2H      CAZ    CAS    CAU     109.470    3.000
 V2H      HAS    CAS    HASA    107.900    3.000
 V2H      HAS    CAS    CAU     109.470    3.000
 V2H      HASA   CAS    CAU     109.470    3.000
 V2H      CAS    CAU    CAT     120.000    3.000
 V2H      CAS    CAU    CAH     120.000    3.000
 V2H      CAT    CAU    CAH     120.000    3.000
 V2H      CAU    CAT    CAA     120.000    3.000
 V2H      CAU    CAT    CAN     120.000    3.000
 V2H      CAA    CAT    CAN     120.000    3.000
 V2H      CAT    CAA    HAAA    120.000    3.000
 V2H      CAT    CAA    HAA     120.000    3.000
 V2H      HAAA   CAA    HAA     120.000    3.000
 V2H      CAT    CAN    HAN     108.810    3.000
 V2H      CAT    CAN    O30     109.470    3.000
 V2H      CAT    CAN    CAO     109.470    3.000
 V2H      HAN    CAN    O30     109.470    3.000
 V2H      HAN    CAN    CAO     108.340    3.000
 V2H      O30    CAN    CAO     109.470    3.000
 V2H      CAN    O30    HO30    109.470    3.000
 V2H      CAU    CAH    HAH     120.000    3.000
 V2H      CAU    CAH    CAI     120.000    3.000
 V2H      HAH    CAH    CAI     120.000    3.000
 V2H      CAH    CAI    HAI     120.000    3.000
 V2H      CAH    CAI    CAV     120.000    3.000
 V2H      HAI    CAI    CAV     120.000    3.000
 V2H      CAI    CAV    CBA     120.000    3.000
 V2H      CAI    CAV    CAM     120.000    3.000
 V2H      CBA    CAV    CAM     120.000    3.000
 V2H      CAV    CBA    HBA     108.810    3.000
 V2H      CAV    CBA    CAP     109.470    3.000
 V2H      CAV    CBA    CBC     109.470    3.000
 V2H      HBA    CBA    CAP     108.340    3.000
 V2H      HBA    CBA    CBC     108.340    3.000
 V2H      CAP    CBA    CBC     111.000    3.000
 V2H      CBA    CAP    HAP     109.470    3.000
 V2H      CBA    CAP    HAPA    109.470    3.000
 V2H      CBA    CAP    CAQ     111.000    3.000
 V2H      HAP    CAP    HAPA    107.900    3.000
 V2H      HAP    CAP    CAQ     109.470    3.000
 V2H      HAPA   CAP    CAQ     109.470    3.000
 V2H      CAP    CAQ    HAQ     109.470    3.000
 V2H      CAP    CAQ    HAQA    109.470    3.000
 V2H      CAP    CAQ    CBB     111.000    3.000
 V2H      HAQ    CAQ    HAQA    107.900    3.000
 V2H      HAQ    CAQ    CBB     109.470    3.000
 V2H      HAQA   CAQ    CBB     109.470    3.000
 V2H      CAQ    CBB    HBB     108.340    3.000
 V2H      CAQ    CBB    CBC     111.000    3.000
 V2H      CAQ    CBB    CAY     111.000    3.000
 V2H      HBB    CBB    CBC     108.340    3.000
 V2H      HBB    CBB    CAY     108.340    3.000
 V2H      CBC    CBB    CAY     111.000    3.000
 V2H      CBB    CBC    CAF     111.000    3.000
 V2H      CBB    CBC    CAR     111.000    3.000
 V2H      CBB    CBC    CBA     111.000    3.000
 V2H      CAF    CBC    CAR     111.000    3.000
 V2H      CAF    CBC    CBA     111.000    3.000
 V2H      CAR    CBC    CBA     111.000    3.000
 V2H      CBC    CAF    HAFB    109.470    3.000
 V2H      CBC    CAF    HAFA    109.470    3.000
 V2H      CBC    CAF    HAF     109.470    3.000
 V2H      HAFB   CAF    HAFA    109.470    3.000
 V2H      HAFB   CAF    HAF     109.470    3.000
 V2H      HAFA   CAF    HAF     109.470    3.000
 V2H      CBC    CAR    HAR     109.470    3.000
 V2H      CBC    CAR    HARA    109.470    3.000
 V2H      CBC    CAR    CAL     111.000    3.000
 V2H      HAR    CAR    HARA    107.900    3.000
 V2H      HAR    CAR    CAL     109.470    3.000
 V2H      HARA   CAR    CAL     109.470    3.000
 V2H      CAR    CAL    HAL     109.470    3.000
 V2H      CAR    CAL    HALA    109.470    3.000
 V2H      CAR    CAL    CAM     111.000    3.000
 V2H      HAL    CAL    HALA    107.900    3.000
 V2H      HAL    CAL    CAM     109.470    3.000
 V2H      HALA   CAL    CAM     109.470    3.000
 V2H      CAL    CAM    HAMA    109.470    3.000
 V2H      CAL    CAM    HAM     109.470    3.000
 V2H      CAL    CAM    CAV     109.470    3.000
 V2H      HAMA   CAM    HAM     107.900    3.000
 V2H      HAMA   CAM    CAV     109.470    3.000
 V2H      HAM    CAM    CAV     109.470    3.000
 V2H      CBB    CAY    HAY     108.340    3.000
 V2H      CBB    CAY    CAE     111.000    3.000
 V2H      CBB    CAY    CAK     109.470    3.000
 V2H      HAY    CAY    CAE     108.340    3.000
 V2H      HAY    CAY    CAK     108.810    3.000
 V2H      CAE    CAY    CAK     109.470    3.000
 V2H      CAY    CAE    HAEB    109.470    3.000
 V2H      CAY    CAE    HAEA    109.470    3.000
 V2H      CAY    CAE    HAE     109.470    3.000
 V2H      HAEB   CAE    HAEA    109.470    3.000
 V2H      HAEB   CAE    HAE     109.470    3.000
 V2H      HAEA   CAE    HAE     109.470    3.000
 V2H      CAY    CAK    HAK     120.000    3.000
 V2H      CAY    CAK    CAJ     120.000    3.000
 V2H      HAK    CAK    CAJ     120.000    3.000
 V2H      CAK    CAJ    HAJ     120.000    3.000
 V2H      CAK    CAJ    CAX     120.000    3.000
 V2H      HAJ    CAJ    CAX     120.000    3.000
 V2H      CAJ    CAX    HAX     108.810    3.000
 V2H      CAJ    CAX    CAD     109.470    3.000
 V2H      CAJ    CAX    CAW     109.470    3.000
 V2H      HAX    CAX    CAD     108.340    3.000
 V2H      HAX    CAX    CAW     108.340    3.000
 V2H      CAD    CAX    CAW     111.000    3.000
 V2H      CAX    CAD    HADB    109.470    3.000
 V2H      CAX    CAD    HADA    109.470    3.000
 V2H      CAX    CAD    HAD     109.470    3.000
 V2H      HADB   CAD    HADA    109.470    3.000
 V2H      HADB   CAD    HAD     109.470    3.000
 V2H      HADA   CAD    HAD     109.470    3.000
 V2H      CAX    CAW    HAW     108.340    3.000
 V2H      CAX    CAW    CAC     111.000    3.000
 V2H      CAX    CAW    CAB     111.000    3.000
 V2H      HAW    CAW    CAC     108.340    3.000
 V2H      HAW    CAW    CAB     108.340    3.000
 V2H      CAC    CAW    CAB     111.000    3.000
 V2H      CAW    CAC    HACB    109.470    3.000
 V2H      CAW    CAC    HACA    109.470    3.000
 V2H      CAW    CAC    HAC     109.470    3.000
 V2H      HACB   CAC    HACA    109.470    3.000
 V2H      HACB   CAC    HAC     109.470    3.000
 V2H      HACA   CAC    HAC     109.470    3.000
 V2H      CAW    CAB    HABB    109.470    3.000
 V2H      CAW    CAB    HABA    109.470    3.000
 V2H      CAW    CAB    HAB     109.470    3.000
 V2H      HABB   CAB    HABA    109.470    3.000
 V2H      HABB   CAB    HAB     109.470    3.000
 V2H      HABA   CAB    HAB     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
 V2H      var_1    HOAG   OAG    CAZ    CAS      -59.669   20.000   1
 V2H      var_2    OAG    CAZ    CAO    CAN      180.000   20.000   3
 V2H      var_3    OAG    CAZ    CAS    CAU      180.000   20.000   3
 V2H      var_4    CAZ    CAS    CAU    CAH     -120.000   20.000   3
 V2H      var_5    CAS    CAU    CAT    CAN      -30.000   20.000   1
 V2H      CONST_1  CAU    CAT    CAA    HAA     -179.952    0.000   0
 V2H      var_6    CAU    CAT    CAN    O30      -60.000   20.000   3
 V2H      var_7    CAT    CAN    CAO    CAZ      -60.000   20.000   3
 V2H      var_8    CAT    CAN    O30    HO30     -60.031   20.000   1
 V2H      CONST_2  CAS    CAU    CAH    CAI      179.944    0.000   0
 V2H      var_9    CAU    CAH    CAI    CAV      179.984   20.000   1
 V2H      CONST_3  CAH    CAI    CAV    CBA      179.750    0.000   0
 V2H      var_10   CAI    CAV    CAM    CAL      120.000   20.000   3
 V2H      var_11   CAI    CAV    CBA    CAP        0.000   20.000   3
 V2H      var_12   CAV    CBA    CAP    CAQ     -150.000   20.000   3
 V2H      var_13   CBA    CAP    CAQ    CBB       30.000   20.000   3
 V2H      var_14   CAP    CAQ    CBB    CAY      120.000   20.000   3
 V2H      var_15   CAQ    CBB    CBC    CAR     -150.000   20.000   1
 V2H      var_16   CBB    CBC    CBA    CAV      180.000   20.000   1
 V2H      var_17   CBB    CBC    CAF    HAF     -169.732   20.000   1
 V2H      var_18   CBB    CBC    CAR    CAL      180.000   20.000   1
 V2H      var_19   CBC    CAR    CAL    CAM      -60.000   20.000   3
 V2H      var_20   CAR    CAL    CAM    CAV       60.000   20.000   3
 V2H      var_21   CAQ    CBB    CAY    CAK       64.358   20.000   3
 V2H      var_22   CBB    CAY    CAE    HAE      -60.001   20.000   3
 V2H      var_23   CBB    CAY    CAK    CAJ     -120.004   20.000   1
 V2H      CONST_4  CAY    CAK    CAJ    CAX     -179.962    0.000   0
 V2H      var_24   CAK    CAJ    CAX    CAW      119.986   20.000   1
 V2H      var_25   CAJ    CAX    CAD    HAD      179.966   20.000   3
 V2H      var_26   CAJ    CAX    CAW    CAB      179.970   20.000   3
 V2H      var_27   CAX    CAW    CAC    HAC       59.963   20.000   3
 V2H      var_28   CAX    CAW    CAB    HAB       60.018   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
 V2H      chir_01  CAN    O30    CAO    CAT       negativ
 V2H      chir_02  CAZ    CAO    OAG    CAS       positiv
 V2H      chir_03  CBC    CAR    CBA    CAF       positiv
 V2H      chir_04  CBA    CAV    CBC    CAP       negativ
 V2H      chir_05  CBB    CBC    CAQ    CAY       positiv
 V2H      chir_06  CAY    CBB    CAE    CAK       positiv
 V2H      chir_07  CAX    CAJ    CAD    CAW       positiv
 V2H      chir_08  CAW    CAX    CAB    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
 V2H      plan-1    CAT       0.020
 V2H      plan-1    CAN       0.020
 V2H      plan-1    CAA       0.020
 V2H      plan-1    CAU       0.020
 V2H      plan-1    HAA       0.020
 V2H      plan-1    HAAA      0.020
 V2H      plan-2    CAU       0.020
 V2H      plan-2    CAT       0.020
 V2H      plan-2    CAS       0.020
 V2H      plan-2    CAH       0.020
 V2H      plan-2    CAI       0.020
 V2H      plan-2    HAH       0.020
 V2H      plan-2    HAI       0.020
 V2H      plan-3    CAI       0.020
 V2H      plan-3    CAH       0.020
 V2H      plan-3    CAV       0.020
 V2H      plan-3    HAI       0.020
 V2H      plan-3    CAM       0.020
 V2H      plan-3    CBA       0.020
 V2H      plan-3    HAH       0.020
 V2H      plan-4    CAK       0.020
 V2H      plan-4    CAY       0.020
 V2H      plan-4    CAJ       0.020
 V2H      plan-4    HAK       0.020
 V2H      plan-4    CAX       0.020
 V2H      plan-4    HAJ       0.020
# ------------------------------------------------------
