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
DMI      DMI '2,3-DIMETHYLIMIDAZOLIUM ION         ' non-polymer        16   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DMI
#
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
 DMI           CM3    C    CH3       0.000      0.000    0.000    0.000
 DMI           HM31   H    H         0.000      0.301    0.881   -0.501
 DMI           HM32   H    H         0.000      0.348    0.021    0.998
 DMI           HM33   H    H         0.000      0.394   -0.846   -0.498
 DMI           N3     N    NR5       0.000     -1.463   -0.079    0.000
 DMI           C2     C    CR5       0.000     -2.205   -1.207   -0.002
 DMI           CM2    C    CH3       0.000     -1.663   -2.615   -0.002
 DMI           HM23   H    H         0.000     -0.726   -2.632    0.492
 DMI           HM22   H    H         0.000     -2.340   -3.254    0.503
 DMI           HM21   H    H         0.000     -1.542   -2.947   -1.000
 DMI           C4     C    CR15      0.000     -2.334    0.977   -0.002
 DMI           H4     H    H         0.000     -2.073    2.028   -0.005
 DMI           C5     C    CR15      0.000     -3.576    0.458   -0.001
 DMI           H5     H    H         0.000     -4.501    1.021   -0.002
 DMI           N1     N    NR15      1.000     -3.467   -0.879    0.003
 DMI           HN1    H    H         0.000     -4.263   -1.548    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
 DMI      CM3    n/a    N3     START
 DMI      HM31   CM3    .      .
 DMI      HM32   CM3    .      .
 DMI      HM33   CM3    .      .
 DMI      N3     CM3    C4     .
 DMI      C2     N3     CM2    .
 DMI      CM2    C2     HM21   .
 DMI      HM23   CM2    .      .
 DMI      HM22   CM2    .      .
 DMI      HM21   CM2    .      .
 DMI      C4     N3     C5     .
 DMI      H4     C4     .      .
 DMI      C5     C4     N1     .
 DMI      H5     C5     .      .
 DMI      N1     C5     HN1    .
 DMI      HN1    N1     .      END
 DMI      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
 DMI      N1     C2        double      1.340    0.020
 DMI      N1     C5        single      1.350    0.020
 DMI      HN1    N1        single      1.040    0.020
 DMI      CM2    C2        single      1.506    0.020
 DMI      C2     N3        single      1.337    0.020
 DMI      HM21   CM2       single      1.059    0.020
 DMI      HM22   CM2       single      1.059    0.020
 DMI      HM23   CM2       single      1.059    0.020
 DMI      N3     CM3       single      1.485    0.020
 DMI      C4     N3        single      1.337    0.020
 DMI      HM31   CM3       single      1.059    0.020
 DMI      HM32   CM3       single      1.059    0.020
 DMI      HM33   CM3       single      1.059    0.020
 DMI      C5     C4        double      1.380    0.020
 DMI      H4     C4        single      1.083    0.020
 DMI      H5     C5        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
 DMI      HM31   CM3    HM32    109.470    3.000
 DMI      HM31   CM3    HM33    109.470    3.000
 DMI      HM32   CM3    HM33    109.470    3.000
 DMI      HM31   CM3    N3      109.470    3.000
 DMI      HM32   CM3    N3      109.470    3.000
 DMI      HM33   CM3    N3      109.470    3.000
 DMI      CM3    N3     C2      126.000    3.000
 DMI      CM3    N3     C4      126.000    3.000
 DMI      C2     N3     C4      108.000    3.000
 DMI      N3     C2     CM2     126.000    3.000
 DMI      N3     C2     N1      108.000    3.000
 DMI      CM2    C2     N1      126.000    3.000
 DMI      C2     CM2    HM23    109.470    3.000
 DMI      C2     CM2    HM22    109.470    3.000
 DMI      C2     CM2    HM21    109.470    3.000
 DMI      HM23   CM2    HM22    109.470    3.000
 DMI      HM23   CM2    HM21    109.470    3.000
 DMI      HM22   CM2    HM21    109.470    3.000
 DMI      N3     C4     H4      126.000    3.000
 DMI      N3     C4     C5      108.000    3.000
 DMI      H4     C4     C5      126.000    3.000
 DMI      C4     C5     H5      126.000    3.000
 DMI      C4     C5     N1      108.000    3.000
 DMI      H5     C5     N1      126.000    3.000
 DMI      C5     N1     HN1     126.000    3.000
 DMI      C5     N1     C2      108.000    3.000
 DMI      HN1    N1     C2      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
 DMI      var_1    HM33   CM3    N3     C4      -149.976   20.000   1
 DMI      CONST_1  CM3    N3     C2     CM2        0.000    0.000   0
 DMI      var_2    N3     C2     CM2    HM21     -90.555   20.000   1
 DMI      CONST_2  CM3    N3     C4     C5       180.000    0.000   0
 DMI      CONST_3  N3     C4     C5     N1         0.000    0.000   0
 DMI      CONST_4  C4     C5     N1     C2         0.000    0.000   0
 DMI      CONST_5  C5     N1     C2     N3         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
 DMI      plan-1    N1        0.020
 DMI      plan-1    C2        0.020
 DMI      plan-1    C5        0.020
 DMI      plan-1    HN1       0.020
 DMI      plan-1    N3        0.020
 DMI      plan-1    C4        0.020
 DMI      plan-1    CM2       0.020
 DMI      plan-1    CM3       0.020
 DMI      plan-1    H4        0.020
 DMI      plan-1    H5        0.020
# ------------------------------------------------------
