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
IZC      IZC '2H-IMIDAZOL-4-YLACETIC ACID         ' non-polymer        14   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_IZC
#
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
 IZC           O2     O    OC       -0.500      0.000    0.000    0.000
 IZC           C7     C    C         0.000     -0.223   -1.231    0.001
 IZC           O1     O    OC       -0.500      0.730   -2.040    0.002
 IZC           C6     C    CH2       0.000     -1.643   -1.739    0.002
 IZC           H61    H    H         0.000     -1.811   -2.346    0.893
 IZC           H62    H    H         0.000     -1.812   -2.347   -0.889
 IZC           C4     C    CR5       0.000     -2.594   -0.570    0.001
 IZC           C5     C    CR15      0.000     -4.062   -0.674   -0.004
 IZC           H5     H    H         0.000     -4.621   -1.601   -0.012
 IZC           N1     N    NRD5      0.000     -4.584    0.507    0.001
 IZC           N3     N    NRD5      0.000     -2.244    0.672    0.000
 IZC           C2     C    CH2       0.000     -3.476    1.471    0.000
 IZC           H22    H    H         0.000     -3.539    2.098   -0.893
 IZC           H21    H    H         0.000     -3.538    2.100    0.890
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
 IZC      O2     n/a    C7     START
 IZC      C7     O2     C6     .
 IZC      O1     C7     .      .
 IZC      C6     C7     C4     .
 IZC      H61    C6     .      .
 IZC      H62    C6     .      .
 IZC      C4     C6     N3     .
 IZC      C5     C4     N1     .
 IZC      H5     C5     .      .
 IZC      N1     C5     .      .
 IZC      N3     C4     C2     .
 IZC      C2     N3     H21    .
 IZC      H22    C2     .      .
 IZC      H21    C2     .      END
 IZC      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
 IZC      O1     C7        deloc       1.250    0.020
 IZC      C7     O2        deloc       1.250    0.020
 IZC      N1     C2        single      1.464    0.020
 IZC      N1     C5        double      1.350    0.020
 IZC      C2     N3        single      1.464    0.020
 IZC      N3     C4        double      1.350    0.020
 IZC      H21    C2        single      1.092    0.020
 IZC      H22    C2        single      1.092    0.020
 IZC      C5     C4        single      1.387    0.020
 IZC      C4     C6        single      1.510    0.020
 IZC      H5     C5        single      1.083    0.020
 IZC      C6     C7        single      1.510    0.020
 IZC      H61    C6        single      1.092    0.020
 IZC      H62    C6        single      1.092    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
 IZC      O2     C7     O1      123.000    3.000
 IZC      O2     C7     C6      118.500    3.000
 IZC      O1     C7     C6      118.500    3.000
 IZC      C7     C6     H61     109.470    3.000
 IZC      C7     C6     H62     109.470    3.000
 IZC      C7     C6     C4      109.500    3.000
 IZC      H61    C6     H62     107.900    3.000
 IZC      H61    C6     C4      109.470    3.000
 IZC      H62    C6     C4      109.470    3.000
 IZC      C6     C4     C5      126.000    3.000
 IZC      C6     C4     N3      126.000    3.000
 IZC      C5     C4     N3      108.000    3.000
 IZC      C4     C5     H5      126.000    3.000
 IZC      C4     C5     N1      108.000    3.000
 IZC      H5     C5     N1      126.000    3.000
 IZC      C5     N1     C2      108.000    3.000
 IZC      C4     N3     C2      108.000    3.000
 IZC      N3     C2     H22     109.500    3.000
 IZC      N3     C2     H21     109.500    3.000
 IZC      N3     C2     N1      109.500    3.000
 IZC      H22    C2     H21     107.900    3.000
 IZC      H22    C2     N1      109.500    3.000
 IZC      H21    C2     N1      109.500    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
 IZC      var_1    O2     C7     C6     C4        -0.018   20.000   3
 IZC      var_2    C7     C6     C4     N3         0.014   20.000   2
 IZC      CONST_1  C6     C4     C5     N1       180.000    0.000   0
 IZC      CONST_2  C4     C5     N1     C2         0.000    0.000   0
 IZC      CONST_3  C5     N1     C2     N3         0.000    0.000   0
 IZC      CONST_4  C6     C4     N3     C2       180.000    0.000   0
 IZC      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
 IZC      plan-1    N1        0.020
 IZC      plan-1    C2        0.020
 IZC      plan-1    C5        0.020
 IZC      plan-1    N3        0.020
 IZC      plan-1    C4        0.020
 IZC      plan-1    C6        0.020
 IZC      plan-1    H5        0.020
 IZC      plan-2    C7        0.020
 IZC      plan-2    O1        0.020
 IZC      plan-2    O2        0.020
 IZC      plan-2    C6        0.020
# ------------------------------------------------------
