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
4MZ      4MZ '4-METHYLIMIDAZOLE                   ' non-polymer        12   6 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_4MZ
#
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
 4MZ           C4     C    CH3       0.000      0.000    0.000    0.000
 4MZ           H41    H    H         0.000      0.323    0.998    0.145
 4MZ           H42    H    H         0.000     -0.036   -0.498    0.934
 4MZ           H43    H    H         0.000      0.678   -0.501   -0.641
 4MZ           CG     C    CR5       0.000     -1.372    0.001   -0.623
 4MZ           CD2    C    CR15      0.000     -1.642    0.000   -1.941
 4MZ           HD2    H    H         0.000     -0.920   -0.001   -2.748
 4MZ           NE2    N    NR15      0.000     -3.005    0.000   -2.066
 4MZ           HE2    H    H         0.000     -3.544   -0.001   -2.955
 4MZ           CE1    C    CR15      0.000     -3.520    0.001   -0.818
 4MZ           HE1    H    H         0.000     -4.575    0.004   -0.570
 4MZ           ND1    N    NRD5      0.000     -2.538   -0.002    0.040
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
 4MZ      C4     n/a    CG     START
 4MZ      H41    C4     .      .
 4MZ      H42    C4     .      .
 4MZ      H43    C4     .      .
 4MZ      CG     C4     CD2    .
 4MZ      CD2    CG     NE2    .
 4MZ      HD2    CD2    .      .
 4MZ      NE2    CD2    CE1    .
 4MZ      HE2    NE2    .      .
 4MZ      CE1    NE2    ND1    .
 4MZ      HE1    CE1    .      .
 4MZ      ND1    CE1    .      END
 4MZ      CG     ND1    .    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
 4MZ      CG     ND1       single      1.350    0.020
 4MZ      CD2    CG        double      1.387    0.020
 4MZ      CG     C4        single      1.506    0.020
 4MZ      ND1    CE1       double      1.350    0.020
 4MZ      NE2    CD2       single      1.350    0.020
 4MZ      HD2    CD2       single      1.083    0.020
 4MZ      CE1    NE2       single      1.350    0.020
 4MZ      HE1    CE1       single      1.083    0.020
 4MZ      HE2    NE2       single      1.040    0.020
 4MZ      H41    C4        single      1.059    0.020
 4MZ      H42    C4        single      1.059    0.020
 4MZ      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
 4MZ      H41    C4     H42     109.470    3.000
 4MZ      H41    C4     H43     109.470    3.000
 4MZ      H42    C4     H43     109.470    3.000
 4MZ      H41    C4     CG      109.470    3.000
 4MZ      H42    C4     CG      109.470    3.000
 4MZ      H43    C4     CG      109.470    3.000
 4MZ      C4     CG     CD2     108.000    3.000
 4MZ      C4     CG     ND1     126.000    3.000
 4MZ      CD2    CG     ND1     108.000    3.000
 4MZ      CG     CD2    HD2     126.000    3.000
 4MZ      CG     CD2    NE2     108.000    3.000
 4MZ      HD2    CD2    NE2     126.000    3.000
 4MZ      CD2    NE2    HE2     126.000    3.000
 4MZ      CD2    NE2    CE1     108.000    3.000
 4MZ      HE2    NE2    CE1     126.000    3.000
 4MZ      NE2    CE1    HE1     126.000    3.000
 4MZ      NE2    CE1    ND1     108.000    3.000
 4MZ      HE1    CE1    ND1     126.000    3.000
 4MZ      CE1    ND1    CG      108.000    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
 4MZ      var_1    H43    C4     CG     CD2      -30.013   20.000   1
 4MZ      CONST_1  C4     CG     ND1    CE1      180.000    0.000   0
 4MZ      CONST_2  C4     CG     CD2    NE2      180.000    0.000   0
 4MZ      CONST_3  CG     CD2    NE2    CE1        0.000    0.000   0
 4MZ      CONST_4  CD2    NE2    CE1    ND1        0.000    0.000   0
 4MZ      CONST_5  NE2    CE1    ND1    CG         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
 4MZ      plan-1    CG        0.020
 4MZ      plan-1    ND1       0.020
 4MZ      plan-1    CD2       0.020
 4MZ      plan-1    C4        0.020
 4MZ      plan-1    CE1       0.020
 4MZ      plan-1    NE2       0.020
 4MZ      plan-1    HD2       0.020
 4MZ      plan-1    HE1       0.020
 4MZ      plan-1    HE2       0.020
# ------------------------------------------------------
