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
BZI      BZI 'BENZIMIDAZOLE                       ' non-polymer        15   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_BZI
#
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
 BZI           H7     H    H         0.000      0.002    0.005   -0.002
 BZI           C7     C    CR16      0.000     -0.909    0.001    0.583
 BZI           C6     C    CR16      0.000     -0.849   -0.001    1.960
 BZI           H6     H    H         0.000      0.114   -0.002    2.456
 BZI           C5     C    CR16      0.000     -2.012    0.000    2.715
 BZI           H5     H    H         0.000     -1.949    0.000    3.796
 BZI           C4     C    CR16      0.000     -3.237    0.001    2.108
 BZI           H4     H    H         0.000     -4.139    0.001    2.707
 BZI           C7A    C    CR56      0.000     -2.144   -0.005   -0.050
 BZI           N1     N    NR15      0.000     -2.547    0.001   -1.371
 BZI           HN1    H    H         0.000     -1.926    0.006   -2.205
 BZI           C3A    C    CR56      0.000     -3.322    0.001    0.714
 BZI           N3     N    NRD5      0.000     -4.361    0.001   -0.160
 BZI           C2     C    CR15      0.000     -3.907    0.001   -1.378
 BZI           H2     H    H         0.000     -4.522    0.001   -2.270
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
 BZI      H7     n/a    C7     START
 BZI      C7     H7     C7A    .
 BZI      C6     C7     C5     .
 BZI      H6     C6     .      .
 BZI      C5     C6     C4     .
 BZI      H5     C5     .      .
 BZI      C4     C5     H4     .
 BZI      H4     C4     .      .
 BZI      C7A    C7     C3A    .
 BZI      N1     C7A    HN1    .
 BZI      HN1    N1     .      .
 BZI      C3A    C7A    N3     .
 BZI      N3     C3A    C2     .
 BZI      C2     N3     H2     .
 BZI      H2     C2     .      END
 BZI      N1     C2     .    ADD
 BZI      C3A    C4     .    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
 BZI      N1     C2        single      1.350    0.020
 BZI      N1     C7A       single      1.340    0.020
 BZI      HN1    N1        single      1.040    0.020
 BZI      C2     N3        double      1.350    0.020
 BZI      H2     C2        single      1.083    0.020
 BZI      N3     C3A       single      1.350    0.020
 BZI      C3A    C4        double      1.390    0.020
 BZI      C3A    C7A       single      1.490    0.020
 BZI      C4     C5        single      1.390    0.020
 BZI      H4     C4        single      1.083    0.020
 BZI      C5     C6        double      1.390    0.020
 BZI      H5     C5        single      1.083    0.020
 BZI      C6     C7        single      1.390    0.020
 BZI      H6     C6        single      1.083    0.020
 BZI      C7A    C7        double      1.390    0.020
 BZI      C7     H7        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
 BZI      H7     C7     C6      120.000    3.000
 BZI      H7     C7     C7A     120.000    3.000
 BZI      C6     C7     C7A     120.000    3.000
 BZI      C7     C6     H6      120.000    3.000
 BZI      C7     C6     C5      120.000    3.000
 BZI      H6     C6     C5      120.000    3.000
 BZI      C6     C5     H5      120.000    3.000
 BZI      C6     C5     C4      120.000    3.000
 BZI      H5     C5     C4      120.000    3.000
 BZI      C5     C4     H4      120.000    3.000
 BZI      C5     C4     C3A     120.000    3.000
 BZI      H4     C4     C3A     120.000    3.000
 BZI      C7     C7A    N1      132.000    3.000
 BZI      C7     C7A    C3A     120.000    3.000
 BZI      N1     C7A    C3A     108.000    3.000
 BZI      C7A    N1     HN1     126.000    3.000
 BZI      C7A    N1     C2      108.000    3.000
 BZI      HN1    N1     C2      126.000    3.000
 BZI      C7A    C3A    N3      108.000    3.000
 BZI      C7A    C3A    C4      120.000    3.000
 BZI      N3     C3A    C4      132.000    3.000
 BZI      C3A    N3     C2      108.000    3.000
 BZI      N3     C2     H2      126.000    3.000
 BZI      N3     C2     N1      108.000    3.000
 BZI      H2     C2     N1      126.000    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
 BZI      CONST_1  H7     C7     C6     C5       180.000    0.000   0
 BZI      CONST_2  C7     C6     C5     C4         0.000    0.000   0
 BZI      CONST_3  C6     C5     C4     C3A        0.000    0.000   0
 BZI      CONST_4  H7     C7     C7A    C3A      180.000    0.000   0
 BZI      CONST_5  C7     C7A    N1     C2       180.000    0.000   0
 BZI      CONST_6  C7A    N1     C2     N3         0.000    0.000   0
 BZI      CONST_7  C7     C7A    C3A    N3       180.000    0.000   0
 BZI      CONST_8  C7A    C3A    C4     C5         0.000    0.000   0
 BZI      CONST_9  C7A    C3A    N3     C2         0.000    0.000   0
 BZI      CONST_10 C3A    N3     C2     N1         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
 BZI      plan-1    N1        0.020
 BZI      plan-1    C2        0.020
 BZI      plan-1    C7A       0.020
 BZI      plan-1    HN1       0.020
 BZI      plan-1    N3        0.020
 BZI      plan-1    H2        0.020
 BZI      plan-1    C3A       0.020
 BZI      plan-1    C4        0.020
 BZI      plan-1    C5        0.020
 BZI      plan-1    C6        0.020
 BZI      plan-1    C7        0.020
 BZI      plan-1    H4        0.020
 BZI      plan-1    H5        0.020
 BZI      plan-1    H6        0.020
 BZI      plan-1    H7        0.020
# ------------------------------------------------------
