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
NIZ      NIZ 'pyridine-4-carbohydrazide           ' non-polymer        17  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NIZ
#
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
 NIZ           O1     O    O         0.000      0.000    0.000    0.000
 NIZ           C      C    C         0.000     -1.213    0.074    0.010
 NIZ           N2     N    NH1       0.000     -1.814    1.281   -0.006
 NIZ           H6     H    H         0.000     -2.822    1.343    0.002
 NIZ           N3     N    NH2       0.000     -1.060    2.419   -0.034
 NIZ           H7     H    H         0.000     -1.188    3.113    0.681
 NIZ           HN3    H    H         0.000     -0.387    2.548   -0.768
 NIZ           C1     C    CR6       0.000     -2.032   -1.160    0.034
 NIZ           C5     C    CR16      0.000     -1.428   -2.422    0.045
 NIZ           H5     H    H         0.000     -0.349   -2.515    0.036
 NIZ           C4     C    CR16      0.000     -2.229   -3.547    0.068
 NIZ           H4     H    H         0.000     -1.771   -4.528    0.077
 NIZ           N1     N    NRD6      0.000     -3.543   -3.442    0.078
 NIZ           C3     C    CR16      0.000     -4.152   -2.273    0.062
 NIZ           H3     H    H         0.000     -5.234   -2.235    0.067
 NIZ           C2     C    CR16      0.000     -3.428   -1.097    0.040
 NIZ           H2     H    H         0.000     -3.935   -0.140    0.029
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
 NIZ      O1     n/a    C      START
 NIZ      C      O1     C1     .
 NIZ      N2     C      N3     .
 NIZ      H6     N2     .      .
 NIZ      N3     N2     HN3    .
 NIZ      H7     N3     .      .
 NIZ      HN3    N3     .      .
 NIZ      C1     C      C5     .
 NIZ      C5     C1     C4     .
 NIZ      H5     C5     .      .
 NIZ      C4     C5     N1     .
 NIZ      H4     C4     .      .
 NIZ      N1     C4     C3     .
 NIZ      C3     N1     C2     .
 NIZ      H3     C3     .      .
 NIZ      C2     C3     H2     .
 NIZ      H2     C2     .      END
 NIZ      C1     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
 NIZ      C      O1        double      1.220    0.020
 NIZ      C1     C         single      1.500    0.020
 NIZ      C5     C1        single      1.390    0.020
 NIZ      N1     C4        single      1.337    0.020
 NIZ      C1     C2        double      1.390    0.020
 NIZ      H2     C2        single      1.083    0.020
 NIZ      N2     C         single      1.330    0.020
 NIZ      N3     N2        single      1.400    0.020
 NIZ      C3     N1        double      1.337    0.020
 NIZ      C2     C3        single      1.390    0.020
 NIZ      H3     C3        single      1.083    0.020
 NIZ      HN3    N3        single      1.010    0.020
 NIZ      C4     C5        double      1.390    0.020
 NIZ      H4     C4        single      1.083    0.020
 NIZ      H5     C5        single      1.083    0.020
 NIZ      H6     N2        single      1.010    0.020
 NIZ      H7     N3        single      1.010    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
 NIZ      O1     C      N2      123.000    3.000
 NIZ      O1     C      C1      120.500    3.000
 NIZ      N2     C      C1      120.000    3.000
 NIZ      C      N2     H6      120.000    3.000
 NIZ      C      N2     N3      120.000    3.000
 NIZ      H6     N2     N3      120.000    3.000
 NIZ      N2     N3     H7      120.000    3.000
 NIZ      N2     N3     HN3     120.000    3.000
 NIZ      H7     N3     HN3     120.000    3.000
 NIZ      C      C1     C5      120.000    3.000
 NIZ      C      C1     C2      120.000    3.000
 NIZ      C5     C1     C2      120.000    3.000
 NIZ      C1     C5     H5      120.000    3.000
 NIZ      C1     C5     C4      120.000    3.000
 NIZ      H5     C5     C4      120.000    3.000
 NIZ      C5     C4     H4      120.000    3.000
 NIZ      C5     C4     N1      120.000    3.000
 NIZ      H4     C4     N1      120.000    3.000
 NIZ      C4     N1     C3      120.000    3.000
 NIZ      N1     C3     H3      120.000    3.000
 NIZ      N1     C3     C2      120.000    3.000
 NIZ      H3     C3     C2      120.000    3.000
 NIZ      C3     C2     H2      120.000    3.000
 NIZ      C3     C2     C1      120.000    3.000
 NIZ      H2     C2     C1      120.000    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
 NIZ      CONST_1  O1     C      N2     N3         0.000    0.000   0
 NIZ      CONST_2  C      N2     N3     HN3       56.082    0.000   0
 NIZ      var_1    O1     C      C1     C5        -0.018   20.000   1
 NIZ      CONST_3  C      C1     C2     C3       180.000    0.000   0
 NIZ      CONST_4  C      C1     C5     C4       180.000    0.000   0
 NIZ      CONST_5  C1     C5     C4     N1         0.000    0.000   0
 NIZ      CONST_6  C5     C4     N1     C3         0.000    0.000   0
 NIZ      CONST_7  C4     N1     C3     C2         0.000    0.000   0
 NIZ      CONST_8  N1     C3     C2     C1         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
 NIZ      plan-1    C         0.020
 NIZ      plan-1    C1        0.020
 NIZ      plan-1    O1        0.020
 NIZ      plan-1    N2        0.020
 NIZ      plan-1    H6        0.020
 NIZ      plan-2    C1        0.020
 NIZ      plan-2    C         0.020
 NIZ      plan-2    C2        0.020
 NIZ      plan-2    C5        0.020
 NIZ      plan-2    N1        0.020
 NIZ      plan-2    C3        0.020
 NIZ      plan-2    C4        0.020
 NIZ      plan-2    H2        0.020
 NIZ      plan-2    H3        0.020
 NIZ      plan-2    H4        0.020
 NIZ      plan-2    H5        0.020
 NIZ      plan-3    N2        0.020
 NIZ      plan-3    C         0.020
 NIZ      plan-3    N3        0.020
 NIZ      plan-3    H6        0.020
 NIZ      plan-3    H7        0.020
 NIZ      plan-3    HN3       0.020
 NIZ      plan-4    N3        0.020
 NIZ      plan-4    N2        0.020
 NIZ      plan-4    HN3       0.020
 NIZ      plan-4    H7        0.020
 NIZ      plan-4    H6        0.020
# ------------------------------------------------------
