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
ES0      ES0 '2-amino-1H-benzimidazol-7-ol        ' non-polymer        18  11 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ES0
#
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
 ES0           OAB    O    OH1       0.000      0.000    0.000    0.000
 ES0           HOAB   H    H         0.000      0.316   -0.077    0.910
 ES0           CAI    C    CR6       0.000     -1.351    0.151    0.001
 ES0           CAD    C    CR16      0.000     -1.909    1.416    0.057
 ES0           HAD    H    H         0.000     -1.266    2.287    0.099
 ES0           CAK    C    CR56      0.000     -2.178   -0.966   -0.053
 ES0           CAJ    C    CR56      0.000     -3.572   -0.806   -0.052
 ES0           NAF    N    NRD5      0.000     -4.116   -2.050   -0.110
 ES0           CAE    C    CR16      0.000     -4.118    0.480    0.005
 ES0           HAE    H    H         0.000     -5.193    0.613    0.007
 ES0           CAC    C    CR16      0.000     -3.286    1.575    0.059
 ES0           HAC    H    H         0.000     -3.712    2.570    0.104
 ES0           NAG    N    NR15      0.000     -1.946   -2.332   -0.115
 ES0           HNAG   H    H         0.000     -1.018   -2.800   -0.133
 ES0           CAH    C    CR5       0.000     -3.163   -2.947   -0.147
 ES0           NAA    N    NH2       0.000     -3.361   -4.311   -0.210
 ES0           HNAB   H    H         0.000     -2.570   -4.944   -0.236
 ES0           HNAA   H    H         0.000     -4.301   -4.693   -0.232
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
 ES0      OAB    n/a    CAI    START
 ES0      HOAB   OAB    .      .
 ES0      CAI    OAB    CAK    .
 ES0      CAD    CAI    HAD    .
 ES0      HAD    CAD    .      .
 ES0      CAK    CAI    NAG    .
 ES0      CAJ    CAK    CAE    .
 ES0      NAF    CAJ    .      .
 ES0      CAE    CAJ    CAC    .
 ES0      HAE    CAE    .      .
 ES0      CAC    CAE    HAC    .
 ES0      HAC    CAC    .      .
 ES0      NAG    CAK    CAH    .
 ES0      HNAG   NAG    .      .
 ES0      CAH    NAG    NAA    .
 ES0      NAA    CAH    HNAA   .
 ES0      HNAB   NAA    .      .
 ES0      HNAA   NAA    .      END
 ES0      CAC    CAD    .    ADD
 ES0      NAF    CAH    .    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
 ES0      NAA    CAH       single      1.355    0.020
 ES0      CAI    OAB       single      1.362    0.020
 ES0      CAC    CAD       double      1.390    0.020
 ES0      CAC    CAE       single      1.390    0.020
 ES0      CAD    CAI       single      1.390    0.020
 ES0      CAE    CAJ       double      1.390    0.020
 ES0      NAF    CAH       double      1.350    0.020
 ES0      NAF    CAJ       single      1.350    0.020
 ES0      CAH    NAG       single      1.340    0.020
 ES0      NAG    CAK       single      1.340    0.020
 ES0      CAK    CAI       double      1.490    0.020
 ES0      CAJ    CAK       single      1.490    0.020
 ES0      HNAA   NAA       single      1.010    0.020
 ES0      HNAB   NAA       single      1.010    0.020
 ES0      HOAB   OAB       single      0.967    0.020
 ES0      HAC    CAC       single      1.083    0.020
 ES0      HAD    CAD       single      1.083    0.020
 ES0      HAE    CAE       single      1.083    0.020
 ES0      HNAG   NAG       single      1.040    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
 ES0      HOAB   OAB    CAI     109.470    3.000
 ES0      OAB    CAI    CAD     120.000    3.000
 ES0      OAB    CAI    CAK     120.000    3.000
 ES0      CAD    CAI    CAK     120.000    3.000
 ES0      CAI    CAD    HAD     120.000    3.000
 ES0      CAI    CAD    CAC     120.000    3.000
 ES0      HAD    CAD    CAC     120.000    3.000
 ES0      CAI    CAK    CAJ     120.000    3.000
 ES0      CAI    CAK    NAG     132.000    3.000
 ES0      CAJ    CAK    NAG     108.000    3.000
 ES0      CAK    CAJ    NAF     108.000    3.000
 ES0      CAK    CAJ    CAE     120.000    3.000
 ES0      NAF    CAJ    CAE     132.000    3.000
 ES0      CAJ    NAF    CAH     108.000    3.000
 ES0      CAJ    CAE    HAE     120.000    3.000
 ES0      CAJ    CAE    CAC     120.000    3.000
 ES0      HAE    CAE    CAC     120.000    3.000
 ES0      CAE    CAC    HAC     120.000    3.000
 ES0      CAE    CAC    CAD     120.000    3.000
 ES0      HAC    CAC    CAD     120.000    3.000
 ES0      CAK    NAG    HNAG    126.000    3.000
 ES0      CAK    NAG    CAH     108.000    3.000
 ES0      HNAG   NAG    CAH     126.000    3.000
 ES0      NAG    CAH    NAA     108.000    3.000
 ES0      NAG    CAH    NAF     108.000    3.000
 ES0      NAA    CAH    NAF     108.000    3.000
 ES0      CAH    NAA    HNAB    120.000    3.000
 ES0      CAH    NAA    HNAA    120.000    3.000
 ES0      HNAB   NAA    HNAA    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
 ES0      var_1    HOAB   OAB    CAI    CAK      -90.008   20.000   1
 ES0      CONST_1  OAB    CAI    CAD    CAC      180.000    0.000   0
 ES0      CONST_2  OAB    CAI    CAK    NAG        0.000    0.000   0
 ES0      CONST_3  CAI    CAK    CAJ    CAE        0.000    0.000   0
 ES0      CONST_4  CAK    CAJ    NAF    CAH        0.000    0.000   0
 ES0      CONST_5  CAJ    NAF    CAH    NAG        0.000    0.000   0
 ES0      CONST_6  CAK    CAJ    CAE    CAC        0.000    0.000   0
 ES0      CONST_7  CAJ    CAE    CAC    CAD        0.000    0.000   0
 ES0      CONST_8  CAE    CAC    CAD    CAI        0.000    0.000   0
 ES0      CONST_9  CAI    CAK    NAG    CAH      180.000    0.000   0
 ES0      CONST_10 CAK    NAG    CAH    NAA      180.000    0.000   0
 ES0      CONST_11 NAG    CAH    NAA    HNAA    -179.957    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
 ES0      plan-1    NAA       0.020
 ES0      plan-1    CAH       0.020
 ES0      plan-1    HNAA      0.020
 ES0      plan-1    HNAB      0.020
 ES0      plan-2    CAC       0.020
 ES0      plan-2    CAD       0.020
 ES0      plan-2    CAE       0.020
 ES0      plan-2    HAC       0.020
 ES0      plan-2    CAI       0.020
 ES0      plan-2    HAD       0.020
 ES0      plan-2    CAJ       0.020
 ES0      plan-2    HAE       0.020
 ES0      plan-2    OAB       0.020
 ES0      plan-2    CAK       0.020
 ES0      plan-2    NAF       0.020
 ES0      plan-2    NAG       0.020
 ES0      plan-2    CAH       0.020
 ES0      plan-2    HNAG      0.020
 ES0      plan-2    NAA       0.020
 ES0      plan-2    HNAB      0.020
 ES0      plan-2    HNAA      0.020
# ------------------------------------------------------
