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
IMD      IMD 'IMIDAZOLE                           ' non-polymer        10   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_IMD
#
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
 IMD           H5     H    H         0.000      0.003    0.001    0.001
 IMD           C5     C    CR15      0.000     -1.041   -0.289    0.000
 IMD           N1     N    NR15      0.000     -1.520   -1.550   -0.004
 IMD           HN1    H    H         0.000     -0.949   -2.419   -0.010
 IMD           C4     C    CR15      0.000     -2.101    0.543    0.001
 IMD           H4     H    H         0.000     -2.067    1.626    0.003
 IMD           N3     N    NR15      1.000     -3.212   -0.221   -0.002
 IMD           HN3    H    H         0.000     -4.192    0.128   -0.006
 IMD           C2     C    CR15      0.000     -2.842   -1.491    0.002
 IMD           H2     H    H         0.000     -3.511   -2.343    0.009
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
 IMD      H5     n/a    C5     START
 IMD      C5     H5     C4     .
 IMD      N1     C5     HN1    .
 IMD      HN1    N1     .      .
 IMD      C4     C5     N3     .
 IMD      H4     C4     .      .
 IMD      N3     C4     C2     .
 IMD      HN3    N3     .      .
 IMD      C2     N3     H2     .
 IMD      H2     C2     .      END
 IMD      N1     C2     .    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
 IMD      N1     C2        single      1.350    0.020
 IMD      N1     C5        single      1.350    0.020
 IMD      HN1    N1        single      1.040    0.020
 IMD      C2     N3        double      1.350    0.020
 IMD      H2     C2        single      1.083    0.020
 IMD      N3     C4        single      1.350    0.020
 IMD      HN3    N3        single      1.040    0.020
 IMD      C4     C5        double      1.380    0.020
 IMD      H4     C4        single      1.083    0.020
 IMD      C5     H5        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
 IMD      H5     C5     N1      126.000    3.000
 IMD      H5     C5     C4      126.000    3.000
 IMD      N1     C5     C4      108.000    3.000
 IMD      C5     N1     HN1     126.000    3.000
 IMD      C5     N1     C2      108.000    3.000
 IMD      HN1    N1     C2      126.000    3.000
 IMD      C5     C4     H4      126.000    3.000
 IMD      C5     C4     N3      108.000    3.000
 IMD      H4     C4     N3      126.000    3.000
 IMD      C4     N3     HN3     126.000    3.000
 IMD      C4     N3     C2      108.000    3.000
 IMD      HN3    N3     C2      126.000    3.000
 IMD      N3     C2     H2      126.000    3.000
 IMD      N3     C2     N1      108.000    3.000
 IMD      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
 IMD      CONST_1  H5     C5     N1     C2       180.000    0.000   0
 IMD      CONST_2  C5     N1     C2     N3         0.000    0.000   0
 IMD      CONST_3  H5     C5     C4     N3       180.000    0.000   0
 IMD      CONST_4  C5     C4     N3     C2         0.000    0.000   0
 IMD      CONST_5  C4     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
 IMD      plan-1    N1        0.020
 IMD      plan-1    C2        0.020
 IMD      plan-1    C5        0.020
 IMD      plan-1    HN1       0.020
 IMD      plan-1    N3        0.020
 IMD      plan-1    C4        0.020
 IMD      plan-1    H2        0.020
 IMD      plan-1    HN3       0.020
 IMD      plan-1    H4        0.020
 IMD      plan-1    H5        0.020
# ------------------------------------------------------
