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
VRG      VRG '"N~2~-acetyl-N~5~-[N-(methylcarbamoy' non-polymer        72  39 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_VRG
#
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
 VRG           OXT    O    OC       -0.500      0.000    0.000    0.000
 VRG           C      C    C         0.000     -1.084   -0.604    0.161
 VRG           O      O    OC       -0.500     -1.430   -1.493   -0.649
 VRG           CA     C    CH1       0.000     -1.972   -0.261    1.329
 VRG           HA     H    H         0.000     -2.263    0.797    1.269
 VRG           CB     C    CH2       0.000     -1.215   -0.508    2.635
 VRG           HB     H    H         0.000     -0.276    0.050    2.622
 VRG           HBA    H    H         0.000     -1.003   -1.574    2.735
 VRG           CG     C    C         0.000     -2.057   -0.050    3.798
 VRG           OD2    O    OC       -0.500     -1.624   -0.161    4.966
 VRG           OD1    O    OC       -0.500     -3.189    0.443    3.595
 VRG           N      N    NH1       0.000     -3.172   -1.101    1.293
 VRG           HN     H    H         0.000     -3.205   -1.956    1.829
 VRG           CBG    C    C         0.000     -4.231   -0.733    0.546
 VRG           OAI    O    O         0.000     -4.191    0.295   -0.098
 VRG           CBL    C    CH1       0.000     -5.464   -1.596    0.509
 VRG           HBL    H    H         0.000     -5.876   -1.691    1.524
 VRG           CAV    C    CH2       0.000     -5.100   -2.983   -0.025
 VRG           HAV    H    H         0.000     -4.291   -3.403    0.576
 VRG           HAVA   H    H         0.000     -4.775   -2.899   -1.064
 VRG           CBI    C    CR6       0.000     -6.306   -3.885    0.054
 VRG           CAP    C    CR16      0.000     -7.183   -3.960   -1.011
 VRG           HAP    H    H         0.000     -7.004   -3.371   -1.903
 VRG           CAN    C    CR16      0.000     -8.289   -4.786   -0.940
 VRG           HAN    H    H         0.000     -8.977   -4.844   -1.774
 VRG           CAM    C    CR16      0.000     -8.517   -5.538    0.198
 VRG           HAM    H    H         0.000     -9.384   -6.185    0.254
 VRG           CAO    C    CR16      0.000     -7.639   -5.465    1.263
 VRG           HAO    H    H         0.000     -7.819   -6.052    2.154
 VRG           CAQ    C    CR16      0.000     -6.531   -4.641    1.189
 VRG           HAQ    H    H         0.000     -5.839   -4.588    2.021
 VRG           NBM    N    N         0.000     -6.466   -0.983   -0.368
 VRG           CAC    C    CH3       0.000     -6.155   -0.749   -1.781
 VRG           HACB   H    H         0.000     -5.469   -1.483   -2.120
 VRG           HACA   H    H         0.000     -7.044   -0.807   -2.355
 VRG           HAC    H    H         0.000     -5.725    0.213   -1.895
 VRG           CBH    C    C         0.000     -7.670   -0.635    0.124
 VRG           OAJ    O    O         0.000     -7.926   -0.828    1.294
 VRG           CBK    C    CH1       0.000     -8.699   -0.003   -0.778
 VRG           HBK    H    H         0.000     -8.679   -0.499   -1.759
 VRG           NAZ    N    NH1       0.000    -10.029   -0.153   -0.182
 VRG           HNAZ   H    H         0.000    -10.751   -0.655   -0.679
 VRG           CBB    C    C         0.000    -10.288    0.378    1.029
 VRG           CAB    C    CH3       0.000    -11.656    0.225    1.642
 VRG           HABB   H    H         0.000    -11.861    1.058    2.263
 VRG           HABA   H    H         0.000    -12.385    0.170    0.875
 VRG           HAB    H    H         0.000    -11.687   -0.662    2.222
 VRG           OAE    O    O         0.000     -9.420    0.981    1.625
 VRG           CAT    C    CH2       0.000     -8.382    1.483   -0.951
 VRG           HAT    H    H         0.000     -7.358    1.597   -1.311
 VRG           HATA   H    H         0.000     -8.488    1.992    0.010
 VRG           CAR    C    CH2       0.000     -9.351    2.096   -1.964
 VRG           HAR    H    H         0.000    -10.375    1.981   -1.603
 VRG           HARA   H    H         0.000     -9.245    1.585   -2.923
 VRG           CAS    C    CH2       0.000     -9.033    3.583   -2.138
 VRG           HAS    H    H         0.000     -8.009    3.696   -2.499
 VRG           HASA   H    H         0.000     -9.138    4.092   -1.178
 VRG           NAX    N    NH1       0.000     -9.962    4.170   -3.108
 VRG           HNAX   H    H         0.000    -10.670    3.595   -3.542
 VRG           CBD    C    C         0.000     -9.869    5.504   -3.427
 VRG           NAD    N    N         0.000     -8.957    6.245   -2.868
 VRG           HNAD   H    H         0.000     -8.342    5.872   -2.230
 VRG           NAY    N    NH1       0.000    -10.743    6.057   -4.341
 VRG           HNAY   H    H         0.000    -11.451    5.482   -4.774
 VRG           CBF    C    C         0.000    -10.652    7.365   -4.654
 VRG           OAH    O    O         0.000     -9.800    8.057   -4.132
 VRG           NAW    N    NH1       0.000    -11.507    7.905   -5.547
 VRG           HNAW   H    H         0.000    -12.215    7.331   -5.981
 VRG           CAA    C    CH3       0.000    -11.407    9.326   -5.887
 VRG           HAAB   H    H         0.000    -12.151    9.575   -6.600
 VRG           HAAA   H    H         0.000    -11.547    9.912   -5.015
 VRG           HAA    H    H         0.000    -10.450    9.529   -6.295
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
 VRG      OXT    n/a    C      START
 VRG      C      OXT    CA     .
 VRG      O      C      .      .
 VRG      CA     C      N      .
 VRG      HA     CA     .      .
 VRG      CB     CA     CG     .
 VRG      HB     CB     .      .
 VRG      HBA    CB     .      .
 VRG      CG     CB     OD1    .
 VRG      OD2    CG     .      .
 VRG      OD1    CG     .      .
 VRG      N      CA     CBG    .
 VRG      HN     N      .      .
 VRG      CBG    N      CBL    .
 VRG      OAI    CBG    .      .
 VRG      CBL    CBG    NBM    .
 VRG      HBL    CBL    .      .
 VRG      CAV    CBL    CBI    .
 VRG      HAV    CAV    .      .
 VRG      HAVA   CAV    .      .
 VRG      CBI    CAV    CAP    .
 VRG      CAP    CBI    CAN    .
 VRG      HAP    CAP    .      .
 VRG      CAN    CAP    CAM    .
 VRG      HAN    CAN    .      .
 VRG      CAM    CAN    CAO    .
 VRG      HAM    CAM    .      .
 VRG      CAO    CAM    CAQ    .
 VRG      HAO    CAO    .      .
 VRG      CAQ    CAO    HAQ    .
 VRG      HAQ    CAQ    .      .
 VRG      NBM    CBL    CBH    .
 VRG      CAC    NBM    HAC    .
 VRG      HACB   CAC    .      .
 VRG      HACA   CAC    .      .
 VRG      HAC    CAC    .      .
 VRG      CBH    NBM    CBK    .
 VRG      OAJ    CBH    .      .
 VRG      CBK    CBH    CAT    .
 VRG      HBK    CBK    .      .
 VRG      NAZ    CBK    CBB    .
 VRG      HNAZ   NAZ    .      .
 VRG      CBB    NAZ    OAE    .
 VRG      CAB    CBB    HAB    .
 VRG      HABB   CAB    .      .
 VRG      HABA   CAB    .      .
 VRG      HAB    CAB    .      .
 VRG      OAE    CBB    .      .
 VRG      CAT    CBK    CAR    .
 VRG      HAT    CAT    .      .
 VRG      HATA   CAT    .      .
 VRG      CAR    CAT    CAS    .
 VRG      HAR    CAR    .      .
 VRG      HARA   CAR    .      .
 VRG      CAS    CAR    NAX    .
 VRG      HAS    CAS    .      .
 VRG      HASA   CAS    .      .
 VRG      NAX    CAS    CBD    .
 VRG      HNAX   NAX    .      .
 VRG      CBD    NAX    NAY    .
 VRG      NAD    CBD    HNAD   .
 VRG      HNAD   NAD    .      .
 VRG      NAY    CBD    CBF    .
 VRG      HNAY   NAY    .      .
 VRG      CBF    NAY    NAW    .
 VRG      OAH    CBF    .      .
 VRG      NAW    CBF    CAA    .
 VRG      HNAW   NAW    .      .
 VRG      CAA    NAW    HAA    .
 VRG      HAAB   CAA    .      .
 VRG      HAAA   CAA    .      .
 VRG      HAA    CAA    .      END
 VRG      CBI    CAQ    .    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
 VRG      CAA    NAW       single      1.450    0.020
 VRG      NAW    CBF       single      1.330    0.020
 VRG      OAH    CBF       double      1.220    0.020
 VRG      CBF    NAY       single      1.330    0.020
 VRG      NAY    CBD       single      1.330    0.020
 VRG      NAD    CBD       double      1.260    0.020
 VRG      CBD    NAX       single      1.330    0.020
 VRG      NAX    CAS       single      1.450    0.020
 VRG      CAS    CAR       single      1.524    0.020
 VRG      CAR    CAT       single      1.524    0.020
 VRG      CAT    CBK       single      1.524    0.020
 VRG      NAZ    CBK       single      1.450    0.020
 VRG      CBK    CBH       single      1.500    0.020
 VRG      CBB    NAZ       single      1.330    0.020
 VRG      CAB    CBB       single      1.500    0.020
 VRG      OAE    CBB       double      1.220    0.020
 VRG      OAJ    CBH       double      1.220    0.020
 VRG      CBH    NBM       single      1.330    0.020
 VRG      CAC    NBM       single      1.455    0.020
 VRG      NBM    CBL       single      1.455    0.020
 VRG      CBL    CBG       single      1.500    0.020
 VRG      CAV    CBL       single      1.524    0.020
 VRG      OAI    CBG       double      1.220    0.020
 VRG      CBG    N         single      1.330    0.020
 VRG      N      CA        single      1.450    0.020
 VRG      CA     C         single      1.500    0.020
 VRG      CB     CA        single      1.524    0.020
 VRG      C      OXT       deloc       1.250    0.020
 VRG      O      C         deloc       1.250    0.020
 VRG      CG     CB        single      1.510    0.020
 VRG      OD2    CG        deloc       1.250    0.020
 VRG      OD1    CG        deloc       1.250    0.020
 VRG      CBI    CAV       single      1.511    0.020
 VRG      CAP    CBI       double      1.390    0.020
 VRG      CBI    CAQ       single      1.390    0.020
 VRG      CAN    CAP       single      1.390    0.020
 VRG      CAM    CAN       double      1.390    0.020
 VRG      CAO    CAM       single      1.390    0.020
 VRG      CAQ    CAO       double      1.390    0.020
 VRG      HAA    CAA       single      1.059    0.020
 VRG      HAAA   CAA       single      1.059    0.020
 VRG      HAAB   CAA       single      1.059    0.020
 VRG      HNAW   NAW       single      1.010    0.020
 VRG      HNAY   NAY       single      1.010    0.020
 VRG      HNAD   NAD       single      0.954    0.020
 VRG      HNAX   NAX       single      1.010    0.020
 VRG      HAS    CAS       single      1.092    0.020
 VRG      HASA   CAS       single      1.092    0.020
 VRG      HAR    CAR       single      1.092    0.020
 VRG      HARA   CAR       single      1.092    0.020
 VRG      HAT    CAT       single      1.092    0.020
 VRG      HATA   CAT       single      1.092    0.020
 VRG      HBK    CBK       single      1.099    0.020
 VRG      HNAZ   NAZ       single      1.010    0.020
 VRG      HAB    CAB       single      1.059    0.020
 VRG      HABA   CAB       single      1.059    0.020
 VRG      HABB   CAB       single      1.059    0.020
 VRG      HAC    CAC       single      1.059    0.020
 VRG      HACA   CAC       single      1.059    0.020
 VRG      HACB   CAC       single      1.059    0.020
 VRG      HBL    CBL       single      1.099    0.020
 VRG      HN     N         single      1.010    0.020
 VRG      HA     CA        single      1.099    0.020
 VRG      HB     CB        single      1.092    0.020
 VRG      HBA    CB        single      1.092    0.020
 VRG      HAV    CAV       single      1.092    0.020
 VRG      HAVA   CAV       single      1.092    0.020
 VRG      HAP    CAP       single      1.083    0.020
 VRG      HAN    CAN       single      1.083    0.020
 VRG      HAM    CAM       single      1.083    0.020
 VRG      HAO    CAO       single      1.083    0.020
 VRG      HAQ    CAQ       single      1.083    0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
 VRG      OXT    C      O       123.000    3.000
 VRG      OXT    C      CA      118.500    3.000
 VRG      O      C      CA      118.500    3.000
 VRG      C      CA     HA      108.810    3.000
 VRG      C      CA     CB      109.470    3.000
 VRG      C      CA     N       111.600    3.000
 VRG      HA     CA     CB      108.340    3.000
 VRG      HA     CA     N       108.550    3.000
 VRG      CB     CA     N       110.000    3.000
 VRG      CA     CB     HB      109.470    3.000
 VRG      CA     CB     HBA     109.470    3.000
 VRG      CA     CB     CG      109.470    3.000
 VRG      HB     CB     HBA     107.900    3.000
 VRG      HB     CB     CG      109.470    3.000
 VRG      HBA    CB     CG      109.470    3.000
 VRG      CB     CG     OD2     118.500    3.000
 VRG      CB     CG     OD1     118.500    3.000
 VRG      OD2    CG     OD1     123.000    3.000
 VRG      CA     N      HN      118.500    3.000
 VRG      CA     N      CBG     121.500    3.000
 VRG      HN     N      CBG     120.000    3.000
 VRG      N      CBG    OAI     123.000    3.000
 VRG      N      CBG    CBL     116.500    3.000
 VRG      OAI    CBG    CBL     120.500    3.000
 VRG      CBG    CBL    HBL     108.810    3.000
 VRG      CBG    CBL    CAV     109.470    3.000
 VRG      CBG    CBL    NBM     111.600    3.000
 VRG      HBL    CBL    CAV     108.340    3.000
 VRG      HBL    CBL    NBM     109.470    3.000
 VRG      CAV    CBL    NBM     105.000    3.000
 VRG      CBL    CAV    HAV     109.470    3.000
 VRG      CBL    CAV    HAVA    109.470    3.000
 VRG      CBL    CAV    CBI     109.470    3.000
 VRG      HAV    CAV    HAVA    107.900    3.000
 VRG      HAV    CAV    CBI     109.470    3.000
 VRG      HAVA   CAV    CBI     109.470    3.000
 VRG      CAV    CBI    CAP     120.000    3.000
 VRG      CAV    CBI    CAQ     120.000    3.000
 VRG      CAP    CBI    CAQ     120.000    3.000
 VRG      CBI    CAP    HAP     120.000    3.000
 VRG      CBI    CAP    CAN     120.000    3.000
 VRG      HAP    CAP    CAN     120.000    3.000
 VRG      CAP    CAN    HAN     120.000    3.000
 VRG      CAP    CAN    CAM     120.000    3.000
 VRG      HAN    CAN    CAM     120.000    3.000
 VRG      CAN    CAM    HAM     120.000    3.000
 VRG      CAN    CAM    CAO     120.000    3.000
 VRG      HAM    CAM    CAO     120.000    3.000
 VRG      CAM    CAO    HAO     120.000    3.000
 VRG      CAM    CAO    CAQ     120.000    3.000
 VRG      HAO    CAO    CAQ     120.000    3.000
 VRG      CAO    CAQ    HAQ     120.000    3.000
 VRG      CAO    CAQ    CBI     120.000    3.000
 VRG      HAQ    CAQ    CBI     120.000    3.000
 VRG      CBL    NBM    CAC     120.000    3.000
 VRG      CBL    NBM    CBH     121.000    3.000
 VRG      CAC    NBM    CBH     127.000    3.000
 VRG      NBM    CAC    HACB    109.470    3.000
 VRG      NBM    CAC    HACA    109.470    3.000
 VRG      NBM    CAC    HAC     109.470    3.000
 VRG      HACB   CAC    HACA    109.470    3.000
 VRG      HACB   CAC    HAC     109.470    3.000
 VRG      HACA   CAC    HAC     109.470    3.000
 VRG      NBM    CBH    OAJ     123.000    3.000
 VRG      NBM    CBH    CBK     116.500    3.000
 VRG      OAJ    CBH    CBK     120.500    3.000
 VRG      CBH    CBK    HBK     108.810    3.000
 VRG      CBH    CBK    NAZ     111.600    3.000
 VRG      CBH    CBK    CAT     109.470    3.000
 VRG      HBK    CBK    NAZ     108.550    3.000
 VRG      HBK    CBK    CAT     108.340    3.000
 VRG      NAZ    CBK    CAT     110.000    3.000
 VRG      CBK    NAZ    HNAZ    118.500    3.000
 VRG      CBK    NAZ    CBB     121.500    3.000
 VRG      HNAZ   NAZ    CBB     120.000    3.000
 VRG      NAZ    CBB    CAB     116.500    3.000
 VRG      NAZ    CBB    OAE     123.000    3.000
 VRG      CAB    CBB    OAE     123.000    3.000
 VRG      CBB    CAB    HABB    109.470    3.000
 VRG      CBB    CAB    HABA    109.470    3.000
 VRG      CBB    CAB    HAB     109.470    3.000
 VRG      HABB   CAB    HABA    109.470    3.000
 VRG      HABB   CAB    HAB     109.470    3.000
 VRG      HABA   CAB    HAB     109.470    3.000
 VRG      CBK    CAT    HAT     109.470    3.000
 VRG      CBK    CAT    HATA    109.470    3.000
 VRG      CBK    CAT    CAR     111.000    3.000
 VRG      HAT    CAT    HATA    107.900    3.000
 VRG      HAT    CAT    CAR     109.470    3.000
 VRG      HATA   CAT    CAR     109.470    3.000
 VRG      CAT    CAR    HAR     109.470    3.000
 VRG      CAT    CAR    HARA    109.470    3.000
 VRG      CAT    CAR    CAS     111.000    3.000
 VRG      HAR    CAR    HARA    107.900    3.000
 VRG      HAR    CAR    CAS     109.470    3.000
 VRG      HARA   CAR    CAS     109.470    3.000
 VRG      CAR    CAS    HAS     109.470    3.000
 VRG      CAR    CAS    HASA    109.470    3.000
 VRG      CAR    CAS    NAX     112.000    3.000
 VRG      HAS    CAS    HASA    107.900    3.000
 VRG      HAS    CAS    NAX     109.470    3.000
 VRG      HASA   CAS    NAX     109.470    3.000
 VRG      CAS    NAX    HNAX    118.500    3.000
 VRG      CAS    NAX    CBD     121.500    3.000
 VRG      HNAX   NAX    CBD     120.000    3.000
 VRG      NAX    CBD    NAD     120.000    3.000
 VRG      NAX    CBD    NAY     120.000    3.000
 VRG      NAD    CBD    NAY     120.000    3.000
 VRG      CBD    NAD    HNAD    120.000    3.000
 VRG      CBD    NAY    HNAY    120.000    3.000
 VRG      CBD    NAY    CBF     120.000    3.000
 VRG      HNAY   NAY    CBF     120.000    3.000
 VRG      NAY    CBF    OAH     123.000    3.000
 VRG      NAY    CBF    NAW     120.000    3.000
 VRG      OAH    CBF    NAW     123.000    3.000
 VRG      CBF    NAW    HNAW    120.000    3.000
 VRG      CBF    NAW    CAA     121.500    3.000
 VRG      HNAW   NAW    CAA     118.500    3.000
 VRG      NAW    CAA    HAAB    109.470    3.000
 VRG      NAW    CAA    HAAA    109.470    3.000
 VRG      NAW    CAA    HAA     109.470    3.000
 VRG      HAAB   CAA    HAAA    109.470    3.000
 VRG      HAAB   CAA    HAA     109.470    3.000
 VRG      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
 VRG      var_1    OXT    C      CA     N        179.965   20.000   3
 VRG      var_2    C      CA     CB     CG       174.994   20.000   3
 VRG      var_3    CA     CB     CG     OD1        0.003   20.000   3
 VRG      var_4    C      CA     N      CBG      -84.989   20.000   3
 VRG      CONST_1  CA     N      CBG    CBL      180.000    0.000   0
 VRG      var_5    N      CBG    CBL    NBM     -179.982   20.000   3
 VRG      var_6    CBG    CBL    CAV    CBI      174.998   20.000   3
 VRG      var_7    CBL    CAV    CBI    CAP       90.056   20.000   2
 VRG      CONST_2  CAV    CBI    CAQ    CAO      180.000    0.000   0
 VRG      CONST_3  CAV    CBI    CAP    CAN      180.000    0.000   0
 VRG      CONST_4  CBI    CAP    CAN    CAM        0.000    0.000   0
 VRG      CONST_5  CAP    CAN    CAM    CAO        0.000    0.000   0
 VRG      CONST_6  CAN    CAM    CAO    CAQ        0.000    0.000   0
 VRG      CONST_7  CAM    CAO    CAQ    CBI        0.000    0.000   0
 VRG      var_8    CBG    CBL    NBM    CBH     -119.983   20.000   3
 VRG      var_9    CBL    NBM    CAC    HAC      -89.979   20.000   1
 VRG      CONST_8  CBL    NBM    CBH    CBK      180.000    0.000   0
 VRG      var_10   NBM    CBH    CBK    CAT      -80.004   20.000   3
 VRG      var_11   CBH    CBK    NAZ    CBB       60.011   20.000   3
 VRG      CONST_9  CBK    NAZ    CBB    OAE        0.000    0.000   0
 VRG      var_12   NAZ    CBB    CAB    HAB       89.975   20.000   1
 VRG      var_13   CBH    CBK    CAT    CAR      174.962   20.000   3
 VRG      var_14   CBK    CAT    CAR    CAS     -179.950   20.000   3
 VRG      var_15   CAT    CAR    CAS    NAX     -179.970   20.000   3
 VRG      var_16   CAR    CAS    NAX    CBD      179.961   20.000   3
 VRG      CONST_10 CAS    NAX    CBD    NAY      180.000    0.000   0
 VRG      CONST_11 NAX    CBD    NAD    HNAD       0.000    0.000   0
 VRG      CONST_12 NAX    CBD    NAY    CBF      180.000    0.000   0
 VRG      CONST_13 CBD    NAY    CBF    NAW      180.000    0.000   0
 VRG      CONST_14 NAY    CBF    NAW    CAA      180.000    0.000   0
 VRG      var_17   CBF    NAW    CAA    HAA       59.942   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
 VRG      chir_01  CBK    CAT    NAZ    CBH       positiv
 VRG      chir_02  CBL    NBM    CBG    CAV       positiv
 VRG      chir_03  CA     N      C      CB        positiv
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
 VRG      plan-1    CBB       0.020
 VRG      plan-1    OAE       0.020
 VRG      plan-1    CAB       0.020
 VRG      plan-1    NAZ       0.020
 VRG      plan-1    HNAZ      0.020
 VRG      plan-2    NAD       0.020
 VRG      plan-2    CBD       0.020
 VRG      plan-2    HNAD      0.020
 VRG      plan-2    NAX       0.020
 VRG      plan-2    NAY       0.020
 VRG      plan-2    HNAX      0.020
 VRG      plan-2    HNAY      0.020
 VRG      plan-3    NAW       0.020
 VRG      plan-3    CAA       0.020
 VRG      plan-3    CBF       0.020
 VRG      plan-3    HNAW      0.020
 VRG      plan-4    NAX       0.020
 VRG      plan-4    CAS       0.020
 VRG      plan-4    CBD       0.020
 VRG      plan-4    HNAX      0.020
 VRG      plan-5    NAY       0.020
 VRG      plan-5    CBD       0.020
 VRG      plan-5    CBF       0.020
 VRG      plan-5    HNAY      0.020
 VRG      plan-6    NAZ       0.020
 VRG      plan-6    CBB       0.020
 VRG      plan-6    CBK       0.020
 VRG      plan-6    HNAZ      0.020
 VRG      plan-7    CBF       0.020
 VRG      plan-7    OAH       0.020
 VRG      plan-7    NAW       0.020
 VRG      plan-7    NAY       0.020
 VRG      plan-7    HNAW      0.020
 VRG      plan-7    HNAY      0.020
 VRG      plan-8    CBH       0.020
 VRG      plan-8    OAJ       0.020
 VRG      plan-8    CBK       0.020
 VRG      plan-8    NBM       0.020
 VRG      plan-9    NBM       0.020
 VRG      plan-9    CBH       0.020
 VRG      plan-9    CAC       0.020
 VRG      plan-9    CBL       0.020
 VRG      plan-10   CBG       0.020
 VRG      plan-10   CBL       0.020
 VRG      plan-10   OAI       0.020
 VRG      plan-10   N         0.020
 VRG      plan-10   HN        0.020
 VRG      plan-11   CBI       0.020
 VRG      plan-11   CAV       0.020
 VRG      plan-11   CAQ       0.020
 VRG      plan-11   CAP       0.020
 VRG      plan-11   CAO       0.020
 VRG      plan-11   CAM       0.020
 VRG      plan-11   CAN       0.020
 VRG      plan-11   HAQ       0.020
 VRG      plan-11   HAO       0.020
 VRG      plan-11   HAM       0.020
 VRG      plan-11   HAN       0.020
 VRG      plan-11   HAP       0.020
 VRG      plan-12   N         0.020
 VRG      plan-12   CBG       0.020
 VRG      plan-12   CA        0.020
 VRG      plan-12   HN        0.020
 VRG      plan-13   C         0.020
 VRG      plan-13   CA        0.020
 VRG      plan-13   O         0.020
 VRG      plan-13   OXT       0.020
 VRG      plan-14   CG        0.020
 VRG      plan-14   CB        0.020
 VRG      plan-14   OD1       0.020
 VRG      plan-14   OD2       0.020
# ------------------------------------------------------
