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
AX7      AX7 '1H-benzimidazol-2-amine             ' non-polymer        17  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_AX7
#
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
 AX7           NAA    N    NH2       0.000      0.000    0.000    0.000
 AX7           HNAA   H    H         0.000      0.519   -0.872    0.000
 AX7           HNAB   H    H         0.000      0.509    0.878    0.000
 AX7           CAH    C    CR5       0.000     -1.379   -0.008    0.000
 AX7           NAF    N    NR15      0.000     -2.157   -1.130    0.000
 AX7           HNAF   H    H         0.000     -1.821   -2.114    0.000
 AX7           NAG    N    NRD5      0.000     -2.137    1.060    0.000
 AX7           CAJ    C    CR56      0.000     -3.446    0.691    0.000
 AX7           CAI    C    CR56      0.000     -3.479   -0.713    0.000
 AX7           CAE    C    CR16      0.000     -4.644    1.407    0.000
 AX7           HAE    H    H         0.000     -4.630    2.489    0.000
 AX7           CAC    C    CR16      0.000     -5.845    0.731    0.000
 AX7           HAC    H    H         0.000     -6.774    1.288    0.000
 AX7           CAB    C    CR16      0.000     -5.872   -0.655    0.000
 AX7           HAB    H    H         0.000     -6.823   -1.175    0.000
 AX7           CAD    C    CR16      0.000     -4.696   -1.377    0.000
 AX7           HAD    H    H         0.000     -4.724   -2.460    0.000
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
 AX7      NAA    n/a    CAH    START
 AX7      HNAA   NAA    .      .
 AX7      HNAB   NAA    .      .
 AX7      CAH    NAA    NAG    .
 AX7      NAF    CAH    HNAF   .
 AX7      HNAF   NAF    .      .
 AX7      NAG    CAH    CAJ    .
 AX7      CAJ    NAG    CAE    .
 AX7      CAI    CAJ    .      .
 AX7      CAE    CAJ    CAC    .
 AX7      HAE    CAE    .      .
 AX7      CAC    CAE    CAB    .
 AX7      HAC    CAC    .      .
 AX7      CAB    CAC    CAD    .
 AX7      HAB    CAB    .      .
 AX7      CAD    CAB    HAD    .
 AX7      HAD    CAD    .      END
 AX7      NAF    CAI    .    ADD
 AX7      CAI    CAD    .    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
 AX7      NAF    CAI       single      1.340    0.020
 AX7      NAF    CAH       single      1.340    0.020
 AX7      CAI    CAD       double      1.390    0.020
 AX7      CAI    CAJ       single      1.490    0.020
 AX7      CAD    CAB       single      1.390    0.020
 AX7      CAB    CAC       double      1.390    0.020
 AX7      CAC    CAE       single      1.390    0.020
 AX7      CAE    CAJ       double      1.390    0.020
 AX7      CAJ    NAG       single      1.350    0.020
 AX7      NAG    CAH       double      1.350    0.020
 AX7      CAH    NAA       single      1.355    0.020
 AX7      HNAF   NAF       single      1.040    0.020
 AX7      HAD    CAD       single      1.083    0.020
 AX7      HAB    CAB       single      1.083    0.020
 AX7      HAC    CAC       single      1.083    0.020
 AX7      HAE    CAE       single      1.083    0.020
 AX7      HNAA   NAA       single      1.010    0.020
 AX7      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
 AX7      HNAA   NAA    HNAB    120.000    3.000
 AX7      HNAA   NAA    CAH     120.000    3.000
 AX7      HNAB   NAA    CAH     120.000    3.000
 AX7      NAA    CAH    NAF     108.000    3.000
 AX7      NAA    CAH    NAG     108.000    3.000
 AX7      NAF    CAH    NAG     108.000    3.000
 AX7      CAH    NAF    HNAF    126.000    3.000
 AX7      CAH    NAF    CAI     108.000    3.000
 AX7      HNAF   NAF    CAI     126.000    3.000
 AX7      CAH    NAG    CAJ     108.000    3.000
 AX7      NAG    CAJ    CAI     108.000    3.000
 AX7      NAG    CAJ    CAE     132.000    3.000
 AX7      CAI    CAJ    CAE     120.000    3.000
 AX7      CAJ    CAI    NAF     108.000    3.000
 AX7      CAJ    CAI    CAD     120.000    3.000
 AX7      NAF    CAI    CAD     132.000    3.000
 AX7      CAJ    CAE    HAE     120.000    3.000
 AX7      CAJ    CAE    CAC     120.000    3.000
 AX7      HAE    CAE    CAC     120.000    3.000
 AX7      CAE    CAC    HAC     120.000    3.000
 AX7      CAE    CAC    CAB     120.000    3.000
 AX7      HAC    CAC    CAB     120.000    3.000
 AX7      CAC    CAB    HAB     120.000    3.000
 AX7      CAC    CAB    CAD     120.000    3.000
 AX7      HAB    CAB    CAD     120.000    3.000
 AX7      CAB    CAD    HAD     120.000    3.000
 AX7      CAB    CAD    CAI     120.000    3.000
 AX7      HAD    CAD    CAI     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
 AX7      CONST_1  HNAB   NAA    CAH    NAG        0.000    0.000   0
 AX7      CONST_2  NAA    CAH    NAF    CAI      180.000    0.000   0
 AX7      CONST_3  CAH    NAF    CAI    CAJ        0.000    0.000   0
 AX7      CONST_4  NAA    CAH    NAG    CAJ      180.000    0.000   0
 AX7      CONST_5  CAH    NAG    CAJ    CAE      180.000    0.000   0
 AX7      CONST_6  NAG    CAJ    CAI    NAF        0.000    0.000   0
 AX7      CONST_7  CAJ    CAI    CAD    CAB        0.000    0.000   0
 AX7      CONST_8  NAG    CAJ    CAE    CAC      180.000    0.000   0
 AX7      CONST_9  CAJ    CAE    CAC    CAB        0.000    0.000   0
 AX7      CONST_10 CAE    CAC    CAB    CAD        0.000    0.000   0
 AX7      CONST_11 CAC    CAB    CAD    CAI        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
 AX7      plan-1    NAF       0.020
 AX7      plan-1    CAI       0.020
 AX7      plan-1    CAH       0.020
 AX7      plan-1    HNAF      0.020
 AX7      plan-1    NAG       0.020
 AX7      plan-1    CAD       0.020
 AX7      plan-1    CAJ       0.020
 AX7      plan-1    CAB       0.020
 AX7      plan-1    CAC       0.020
 AX7      plan-1    CAE       0.020
 AX7      plan-1    HAD       0.020
 AX7      plan-1    HAB       0.020
 AX7      plan-1    HAC       0.020
 AX7      plan-1    HAE       0.020
 AX7      plan-1    NAA       0.020
 AX7      plan-1    HNAA      0.020
 AX7      plan-1    HNAB      0.020
 AX7      plan-2    NAA       0.020
 AX7      plan-2    CAH       0.020
 AX7      plan-2    HNAA      0.020
 AX7      plan-2    HNAB      0.020
# ------------------------------------------------------
