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
MMZ      MMZ '1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-' non-polymer        13   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_MMZ
#
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
 MMZ           S2     S    S1        0.000      0.000    0.000    0.000
 MMZ           C2     C    CR5       0.000     -1.637   -0.501   -0.002
 MMZ           N1     N    NR15      0.000     -2.074   -1.775    0.003
 MMZ           HN1    H    H         0.000     -1.476   -2.626    0.009
 MMZ           N3     N    NR5       0.000     -2.713    0.311    0.001
 MMZ           C4     C    CH3       0.000     -2.685    1.776    0.001
 MMZ           H43    H    H         0.000     -1.813    2.108   -0.496
 MMZ           H42    H    H         0.000     -3.542    2.140   -0.501
 MMZ           H41    H    H         0.000     -2.682    2.124    0.999
 MMZ           C3A    C    CR15      0.000     -3.849   -0.482   -0.002
 MMZ           H3A    H    H         0.000     -4.873   -0.129   -0.005
 MMZ           C1A    C    CR15      0.000     -3.460   -1.754   -0.001
 MMZ           H1A    H    H         0.000     -4.111   -2.619   -0.003
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
 MMZ      S2     n/a    C2     START
 MMZ      C2     S2     N3     .
 MMZ      N1     C2     HN1    .
 MMZ      HN1    N1     .      .
 MMZ      N3     C2     C3A    .
 MMZ      C4     N3     H41    .
 MMZ      H43    C4     .      .
 MMZ      H42    C4     .      .
 MMZ      H41    C4     .      .
 MMZ      C3A    N3     C1A    .
 MMZ      H3A    C3A    .      .
 MMZ      C1A    C3A    H1A    .
 MMZ      H1A    C1A    .      END
 MMZ      N1     C1A    .    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
 MMZ      N1     C1A       single      1.350    0.020
 MMZ      N1     C2        single      1.340    0.020
 MMZ      HN1    N1        single      1.040    0.020
 MMZ      C1A    C3A       double      1.380    0.020
 MMZ      H1A    C1A       single      1.083    0.020
 MMZ      C2     S2        double      1.645    0.020
 MMZ      N3     C2        single      1.337    0.020
 MMZ      C3A    N3        single      1.337    0.020
 MMZ      C4     N3        single      1.485    0.020
 MMZ      H3A    C3A       single      1.083    0.020
 MMZ      H41    C4        single      1.059    0.020
 MMZ      H42    C4        single      1.059    0.020
 MMZ      H43    C4        single      1.059    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
 MMZ      S2     C2     N1      126.000    3.000
 MMZ      S2     C2     N3      126.000    3.000
 MMZ      N1     C2     N3      108.000    3.000
 MMZ      C2     N1     HN1     126.000    3.000
 MMZ      C2     N1     C1A     108.000    3.000
 MMZ      HN1    N1     C1A     126.000    3.000
 MMZ      C2     N3     C4      126.000    3.000
 MMZ      C2     N3     C3A     108.000    3.000
 MMZ      C4     N3     C3A     126.000    3.000
 MMZ      N3     C4     H43     109.470    3.000
 MMZ      N3     C4     H42     109.470    3.000
 MMZ      N3     C4     H41     109.470    3.000
 MMZ      H43    C4     H42     109.470    3.000
 MMZ      H43    C4     H41     109.470    3.000
 MMZ      H42    C4     H41     109.470    3.000
 MMZ      N3     C3A    H3A     126.000    3.000
 MMZ      N3     C3A    C1A     108.000    3.000
 MMZ      H3A    C3A    C1A     126.000    3.000
 MMZ      C3A    C1A    H1A     126.000    3.000
 MMZ      C3A    C1A    N1      108.000    3.000
 MMZ      H1A    C1A    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
 MMZ      CONST_1  S2     C2     N1     C1A      180.000    0.000   0
 MMZ      CONST_2  C2     N1     C1A    C3A        0.000    0.000   0
 MMZ      CONST_3  S2     C2     N3     C3A      180.000    0.000   0
 MMZ      var_1    C2     N3     C4     H41      -90.313   20.000   1
 MMZ      CONST_4  C2     N3     C3A    C1A        0.000    0.000   0
 MMZ      CONST_5  N3     C3A    C1A    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
 MMZ      plan-1    N1        0.020
 MMZ      plan-1    C1A       0.020
 MMZ      plan-1    C2        0.020
 MMZ      plan-1    HN1       0.020
 MMZ      plan-1    N3        0.020
 MMZ      plan-1    C3A       0.020
 MMZ      plan-1    H1A       0.020
 MMZ      plan-1    S2        0.020
 MMZ      plan-1    C4        0.020
 MMZ      plan-1    H3A       0.020
# ------------------------------------------------------
