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
MIZ      MIZ '1-[2-(1H-imidazol-4-yl)ethyl]-2,4,6-' non-polymer        34  16 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_MIZ
#
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
 MIZ           CAN    C    CH3       0.000      0.000    0.000    0.000
 MIZ           HAN    H    H         0.000      0.368   -0.165    0.979
 MIZ           HANA   H    H         0.000     -0.750   -0.715   -0.220
 MIZ           HANB   H    H         0.000      0.793   -0.095   -0.696
 MIZ           CAG    C    CR6       0.000     -0.585    1.386   -0.090
 MIZ           CAF    C    CR16      0.000      0.222    2.445   -0.461
 MIZ           HAF    H    H         0.000      1.269    2.284   -0.687
 MIZ           CAC    C    CR6       0.000     -0.326    3.716   -0.541
 MIZ           CAB    C    CH3       0.000      0.521    4.897   -0.940
 MIZ           HABB   H    H         0.000      1.291    4.574   -1.592
 MIZ           HABA   H    H         0.000     -0.082    5.613   -1.435
 MIZ           HAB    H    H         0.000      0.950    5.333   -0.076
 MIZ           CAD    C    CR16      0.000     -1.670    3.875   -0.243
 MIZ           HAD    H    H         0.000     -2.132    4.853   -0.295
 MIZ           NAH    N    NR6       1.000     -1.859    1.575    0.191
 MIZ           CAE    C    CR6       0.000     -2.415    2.769    0.121
 MIZ           CAA    C    CH3       0.000     -3.877    2.930    0.447
 MIZ           HAAB   H    H         0.000     -4.138    2.270    1.233
 MIZ           HAAA   H    H         0.000     -4.063    3.928    0.749
 MIZ           HAA    H    H         0.000     -4.457    2.706   -0.410
 MIZ           CAI    C    CH2       0.000     -2.680    0.428    0.586
 MIZ           HAI    H    H         0.000     -3.421    0.748    1.322
 MIZ           HAIA   H    H         0.000     -2.042   -0.341    1.025
 MIZ           CAJ    C    CH2       0.000     -3.393   -0.137   -0.644
 MIZ           HAJ    H    H         0.000     -2.650   -0.455   -1.379
 MIZ           HAJA   H    H         0.000     -4.029    0.634   -1.082
 MIZ           CAK    C    CR5       0.000     -4.237   -1.317   -0.239
 MIZ           NAL    N    NRD5      0.000     -3.807   -2.409    0.411
 MIZ           CAM    C    CR15      0.000     -4.810   -3.221    0.599
 MIZ           HAM    H    H         0.000     -4.761   -4.179    1.102
 MIZ           NAP    N    NR15      0.000     -5.920   -2.671    0.062
 MIZ           HNAP   H    H         0.000     -6.873   -3.087    0.054
 MIZ           CAO    C    CR15      0.000     -5.556   -1.463   -0.469
 MIZ           HAO    H    H         0.000     -6.204   -0.760   -0.978
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
 MIZ      CAN    n/a    CAG    START
 MIZ      HAN    CAN    .      .
 MIZ      HANA   CAN    .      .
 MIZ      HANB   CAN    .      .
 MIZ      CAG    CAN    NAH    .
 MIZ      CAF    CAG    CAC    .
 MIZ      HAF    CAF    .      .
 MIZ      CAC    CAF    CAD    .
 MIZ      CAB    CAC    HAB    .
 MIZ      HABB   CAB    .      .
 MIZ      HABA   CAB    .      .
 MIZ      HAB    CAB    .      .
 MIZ      CAD    CAC    HAD    .
 MIZ      HAD    CAD    .      .
 MIZ      NAH    CAG    CAI    .
 MIZ      CAE    NAH    CAA    .
 MIZ      CAA    CAE    HAA    .
 MIZ      HAAB   CAA    .      .
 MIZ      HAAA   CAA    .      .
 MIZ      HAA    CAA    .      .
 MIZ      CAI    NAH    CAJ    .
 MIZ      HAI    CAI    .      .
 MIZ      HAIA   CAI    .      .
 MIZ      CAJ    CAI    CAK    .
 MIZ      HAJ    CAJ    .      .
 MIZ      HAJA   CAJ    .      .
 MIZ      CAK    CAJ    NAL    .
 MIZ      NAL    CAK    CAM    .
 MIZ      CAM    NAL    NAP    .
 MIZ      HAM    CAM    .      .
 MIZ      NAP    CAM    CAO    .
 MIZ      HNAP   NAP    .      .
 MIZ      CAO    NAP    HAO    .
 MIZ      HAO    CAO    .      END
 MIZ      CAE    CAD    .    ADD
 MIZ      CAK    CAO    .    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
 MIZ      CAA    CAE       single      1.506    0.020
 MIZ      CAE    CAD       double      1.390    0.020
 MIZ      CAE    NAH       single      1.410    0.020
 MIZ      CAD    CAC       single      1.390    0.020
 MIZ      CAB    CAC       single      1.506    0.020
 MIZ      CAC    CAF       double      1.390    0.020
 MIZ      CAF    CAG       single      1.390    0.020
 MIZ      CAG    CAN       single      1.506    0.020
 MIZ      NAH    CAG       double      1.337    0.020
 MIZ      CAI    NAH       single      1.465    0.020
 MIZ      CAJ    CAI       single      1.524    0.020
 MIZ      CAK    CAJ       single      1.510    0.020
 MIZ      CAK    CAO       double      1.387    0.020
 MIZ      NAL    CAK       single      1.350    0.020
 MIZ      CAO    NAP       single      1.350    0.020
 MIZ      NAP    CAM       single      1.350    0.020
 MIZ      CAM    NAL       double      1.350    0.020
 MIZ      HAA    CAA       single      1.059    0.020
 MIZ      HAAA   CAA       single      1.059    0.020
 MIZ      HAAB   CAA       single      1.059    0.020
 MIZ      HAD    CAD       single      1.083    0.020
 MIZ      HAB    CAB       single      1.059    0.020
 MIZ      HABA   CAB       single      1.059    0.020
 MIZ      HABB   CAB       single      1.059    0.020
 MIZ      HAF    CAF       single      1.083    0.020
 MIZ      HAN    CAN       single      1.059    0.020
 MIZ      HANA   CAN       single      1.059    0.020
 MIZ      HANB   CAN       single      1.059    0.020
 MIZ      HAI    CAI       single      1.092    0.020
 MIZ      HAIA   CAI       single      1.092    0.020
 MIZ      HAJ    CAJ       single      1.092    0.020
 MIZ      HAJA   CAJ       single      1.092    0.020
 MIZ      HAO    CAO       single      1.083    0.020
 MIZ      HNAP   NAP       single      1.040    0.020
 MIZ      HAM    CAM       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
 MIZ      HAN    CAN    HANA    109.470    3.000
 MIZ      HAN    CAN    HANB    109.470    3.000
 MIZ      HANA   CAN    HANB    109.470    3.000
 MIZ      HAN    CAN    CAG     109.470    3.000
 MIZ      HANA   CAN    CAG     109.470    3.000
 MIZ      HANB   CAN    CAG     109.470    3.000
 MIZ      CAN    CAG    CAF     120.000    3.000
 MIZ      CAN    CAG    NAH     120.000    3.000
 MIZ      CAF    CAG    NAH     120.000    3.000
 MIZ      CAG    CAF    HAF     120.000    3.000
 MIZ      CAG    CAF    CAC     120.000    3.000
 MIZ      HAF    CAF    CAC     120.000    3.000
 MIZ      CAF    CAC    CAB     120.000    3.000
 MIZ      CAF    CAC    CAD     120.000    3.000
 MIZ      CAB    CAC    CAD     120.000    3.000
 MIZ      CAC    CAB    HABB    109.470    3.000
 MIZ      CAC    CAB    HABA    109.470    3.000
 MIZ      CAC    CAB    HAB     109.470    3.000
 MIZ      HABB   CAB    HABA    109.470    3.000
 MIZ      HABB   CAB    HAB     109.470    3.000
 MIZ      HABA   CAB    HAB     109.470    3.000
 MIZ      CAC    CAD    HAD     120.000    3.000
 MIZ      CAC    CAD    CAE     120.000    3.000
 MIZ      HAD    CAD    CAE     120.000    3.000
 MIZ      CAG    NAH    CAE     120.000    3.000
 MIZ      CAG    NAH    CAI     120.000    3.000
 MIZ      CAE    NAH    CAI     120.000    3.000
 MIZ      NAH    CAE    CAA     120.000    3.000
 MIZ      NAH    CAE    CAD     120.000    3.000
 MIZ      CAA    CAE    CAD     120.000    3.000
 MIZ      CAE    CAA    HAAB    109.470    3.000
 MIZ      CAE    CAA    HAAA    109.470    3.000
 MIZ      CAE    CAA    HAA     109.470    3.000
 MIZ      HAAB   CAA    HAAA    109.470    3.000
 MIZ      HAAB   CAA    HAA     109.470    3.000
 MIZ      HAAA   CAA    HAA     109.470    3.000
 MIZ      NAH    CAI    HAI     109.470    3.000
 MIZ      NAH    CAI    HAIA    109.470    3.000
 MIZ      NAH    CAI    CAJ     109.470    3.000
 MIZ      HAI    CAI    HAIA    107.900    3.000
 MIZ      HAI    CAI    CAJ     109.470    3.000
 MIZ      HAIA   CAI    CAJ     109.470    3.000
 MIZ      CAI    CAJ    HAJ     109.470    3.000
 MIZ      CAI    CAJ    HAJA    109.470    3.000
 MIZ      CAI    CAJ    CAK     109.470    3.000
 MIZ      HAJ    CAJ    HAJA    107.900    3.000
 MIZ      HAJ    CAJ    CAK     109.470    3.000
 MIZ      HAJA   CAJ    CAK     109.470    3.000
 MIZ      CAJ    CAK    NAL     126.000    3.000
 MIZ      CAJ    CAK    CAO     126.000    3.000
 MIZ      NAL    CAK    CAO     108.000    3.000
 MIZ      CAK    NAL    CAM     108.000    3.000
 MIZ      NAL    CAM    HAM     126.000    3.000
 MIZ      NAL    CAM    NAP     108.000    3.000
 MIZ      HAM    CAM    NAP     126.000    3.000
 MIZ      CAM    NAP    HNAP    126.000    3.000
 MIZ      CAM    NAP    CAO     108.000    3.000
 MIZ      HNAP   NAP    CAO     126.000    3.000
 MIZ      NAP    CAO    HAO     126.000    3.000
 MIZ      NAP    CAO    CAK     108.000    3.000
 MIZ      HAO    CAO    CAK     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
 MIZ      var_1    HANB   CAN    CAG    NAH      150.268   20.000   1
 MIZ      CONST_1  CAN    CAG    CAF    CAC      180.000    0.000   0
 MIZ      CONST_2  CAG    CAF    CAC    CAD        0.000    0.000   0
 MIZ      var_2    CAF    CAC    CAB    HAB      -90.015   20.000   1
 MIZ      CONST_3  CAF    CAC    CAD    CAE        0.000    0.000   0
 MIZ      CONST_4  CAN    CAG    NAH    CAI        0.000    0.000   0
 MIZ      CONST_5  CAG    NAH    CAE    CAA      180.000    0.000   0
 MIZ      CONST_6  NAH    CAE    CAD    CAC        0.000    0.000   0
 MIZ      var_3    NAH    CAE    CAA    HAA      -84.239   20.000   1
 MIZ      var_4    CAG    NAH    CAI    CAJ      -94.376   20.000   1
 MIZ      var_5    NAH    CAI    CAJ    CAK     -179.976   20.000   3
 MIZ      var_6    CAI    CAJ    CAK    NAL      -55.295   20.000   2
 MIZ      CONST_7  CAJ    CAK    CAO    NAP      180.000    0.000   0
 MIZ      CONST_8  CAJ    CAK    NAL    CAM      180.000    0.000   0
 MIZ      CONST_9  CAK    NAL    CAM    NAP        0.000    0.000   0
 MIZ      CONST_10 NAL    CAM    NAP    CAO        0.000    0.000   0
 MIZ      CONST_11 CAM    NAP    CAO    CAK        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
 MIZ      plan-1    CAE       0.020
 MIZ      plan-1    CAA       0.020
 MIZ      plan-1    CAD       0.020
 MIZ      plan-1    NAH       0.020
 MIZ      plan-1    CAC       0.020
 MIZ      plan-1    CAF       0.020
 MIZ      plan-1    CAG       0.020
 MIZ      plan-1    HAD       0.020
 MIZ      plan-1    CAB       0.020
 MIZ      plan-1    HAF       0.020
 MIZ      plan-1    CAN       0.020
 MIZ      plan-1    CAI       0.020
 MIZ      plan-2    CAK       0.020
 MIZ      plan-2    CAJ       0.020
 MIZ      plan-2    CAO       0.020
 MIZ      plan-2    NAL       0.020
 MIZ      plan-2    NAP       0.020
 MIZ      plan-2    CAM       0.020
 MIZ      plan-2    HAO       0.020
 MIZ      plan-2    HNAP      0.020
 MIZ      plan-2    HAM       0.020
# ------------------------------------------------------
