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
VGD      VGD '6-chloro-1H-benzimidazol-2-amine    ' non-polymer        17  11 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_VGD
#
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
 VGD           CLA    CL   CL        0.000      0.000    0.000    0.000
 VGD           CAH    C    CR6       0.000     -1.728    0.170    0.001
 VGD           CAE    C    CR16      0.000     -2.528   -0.956   -0.004
 VGD           HAE    H    H         0.000     -2.079   -1.941   -0.012
 VGD           CAJ    C    CR56      0.000     -3.908   -0.822    0.002
 VGD           NAF    N    NR15      0.000     -4.961   -1.723    0.002
 VGD           HNAF   H    H         0.000     -4.885   -2.760    0.003
 VGD           CAI    C    CR5       0.000     -6.116   -0.995    0.002
 VGD           NAA    N    NH2       0.000     -7.388   -1.528    0.002
 VGD           HNAB   H    H         0.000     -7.524   -2.533    0.003
 VGD           HNAA   H    H         0.000     -8.200   -0.920    0.001
 VGD           NAG    N    NRD5      0.000     -5.837    0.285    0.001
 VGD           CAK    C    CR56      0.000     -4.488    0.458    0.001
 VGD           CAD    C    CR16      0.000     -3.666    1.586    0.000
 VGD           HAD    H    H         0.000     -4.103    2.577    0.000
 VGD           CAC    C    CR16      0.000     -2.296    1.436    0.000
 VGD           HAC    H    H         0.000     -1.659    2.311   -0.001
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
 VGD      CLA    n/a    CAH    START
 VGD      CAH    CLA    CAE    .
 VGD      CAE    CAH    CAJ    .
 VGD      HAE    CAE    .      .
 VGD      CAJ    CAE    NAF    .
 VGD      NAF    CAJ    CAI    .
 VGD      HNAF   NAF    .      .
 VGD      CAI    NAF    NAG    .
 VGD      NAA    CAI    HNAA   .
 VGD      HNAB   NAA    .      .
 VGD      HNAA   NAA    .      .
 VGD      NAG    CAI    CAK    .
 VGD      CAK    NAG    CAD    .
 VGD      CAD    CAK    CAC    .
 VGD      HAD    CAD    .      .
 VGD      CAC    CAD    HAC    .
 VGD      HAC    CAC    .      END
 VGD      CAH    CAC    .    ADD
 VGD      CAK    CAJ    .    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
 VGD      CAH    CLA       single      1.795    0.020
 VGD      CAH    CAC       double      1.390    0.020
 VGD      CAE    CAH       single      1.390    0.020
 VGD      CAC    CAD       single      1.390    0.020
 VGD      CAD    CAK       double      1.390    0.020
 VGD      CAK    CAJ       single      1.490    0.020
 VGD      CAK    NAG       single      1.350    0.020
 VGD      CAJ    CAE       double      1.390    0.020
 VGD      NAF    CAJ       single      1.340    0.020
 VGD      NAG    CAI       double      1.350    0.020
 VGD      CAI    NAF       single      1.340    0.020
 VGD      NAA    CAI       single      1.355    0.020
 VGD      HAC    CAC       single      1.083    0.020
 VGD      HAD    CAD       single      1.083    0.020
 VGD      HAE    CAE       single      1.083    0.020
 VGD      HNAF   NAF       single      1.040    0.020
 VGD      HNAA   NAA       single      1.010    0.020
 VGD      HNAB   NAA       single      1.010    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
 VGD      CLA    CAH    CAE     120.000    3.000
 VGD      CLA    CAH    CAC     120.000    3.000
 VGD      CAE    CAH    CAC     120.000    3.000
 VGD      CAH    CAE    HAE     120.000    3.000
 VGD      CAH    CAE    CAJ     120.000    3.000
 VGD      HAE    CAE    CAJ     120.000    3.000
 VGD      CAE    CAJ    NAF     132.000    3.000
 VGD      CAE    CAJ    CAK     120.000    3.000
 VGD      NAF    CAJ    CAK     108.000    3.000
 VGD      CAJ    NAF    HNAF    126.000    3.000
 VGD      CAJ    NAF    CAI     108.000    3.000
 VGD      HNAF   NAF    CAI     126.000    3.000
 VGD      NAF    CAI    NAA     108.000    3.000
 VGD      NAF    CAI    NAG     108.000    3.000
 VGD      NAA    CAI    NAG     108.000    3.000
 VGD      CAI    NAA    HNAB    120.000    3.000
 VGD      CAI    NAA    HNAA    120.000    3.000
 VGD      HNAB   NAA    HNAA    120.000    3.000
 VGD      CAI    NAG    CAK     108.000    3.000
 VGD      NAG    CAK    CAD     132.000    3.000
 VGD      NAG    CAK    CAJ     108.000    3.000
 VGD      CAD    CAK    CAJ     120.000    3.000
 VGD      CAK    CAD    HAD     120.000    3.000
 VGD      CAK    CAD    CAC     120.000    3.000
 VGD      HAD    CAD    CAC     120.000    3.000
 VGD      CAD    CAC    HAC     120.000    3.000
 VGD      CAD    CAC    CAH     120.000    3.000
 VGD      HAC    CAC    CAH     120.000    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
 VGD      CONST_1  CLA    CAH    CAC    CAD      180.000    0.000   0
 VGD      CONST_2  CLA    CAH    CAE    CAJ      180.000    0.000   0
 VGD      CONST_3  CAH    CAE    CAJ    NAF      180.000    0.000   0
 VGD      CONST_4  CAE    CAJ    NAF    CAI      180.000    0.000   0
 VGD      CONST_5  CAJ    NAF    CAI    NAG        0.000    0.000   0
 VGD      CONST_6  NAF    CAI    NAA    HNAA    -179.983    0.000   0
 VGD      CONST_7  NAF    CAI    NAG    CAK        0.000    0.000   0
 VGD      CONST_8  CAI    NAG    CAK    CAD      180.000    0.000   0
 VGD      CONST_9  NAG    CAK    CAJ    CAE      180.000    0.000   0
 VGD      CONST_10 NAG    CAK    CAD    CAC      180.000    0.000   0
 VGD      CONST_11 CAK    CAD    CAC    CAH        0.000    0.000   0
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
 VGD      plan-1    CAH       0.020
 VGD      plan-1    CLA       0.020
 VGD      plan-1    CAC       0.020
 VGD      plan-1    CAE       0.020
 VGD      plan-1    CAD       0.020
 VGD      plan-1    HAC       0.020
 VGD      plan-1    CAK       0.020
 VGD      plan-1    HAD       0.020
 VGD      plan-1    CAJ       0.020
 VGD      plan-1    NAG       0.020
 VGD      plan-1    CAI       0.020
 VGD      plan-1    NAF       0.020
 VGD      plan-1    HAE       0.020
 VGD      plan-1    NAA       0.020
 VGD      plan-1    HNAF      0.020
 VGD      plan-1    HNAB      0.020
 VGD      plan-1    HNAA      0.020
 VGD      plan-2    NAA       0.020
 VGD      plan-2    CAI       0.020
 VGD      plan-2    HNAA      0.020
 VGD      plan-2    HNAB      0.020
# ------------------------------------------------------
