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
ISZ      ISZ '4-(DIAZENYLCARBONYL)PYRIDINE        ' non-polymer        15  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ISZ
#
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
 ISZ           O1     O    O         0.000      0.000    0.000    0.000
 ISZ           C6     C    C         0.000     -1.231   -0.014   -0.195
 ISZ           N2     N    N         0.000     -1.843    0.670   -1.246
 ISZ           N3     N    N         0.000     -1.033    1.289   -1.963
 ISZ           HN1    H    H         0.000     -1.344    1.793   -2.713
 ISZ           C1     C    CR6       0.000     -2.106   -0.763    0.692
 ISZ           C2     C    CR16      0.000     -3.480   -0.776    0.472
 ISZ           H2     H    H         0.000     -3.918   -0.233   -0.356
 ISZ           C3     C    CR16      0.000     -1.573   -1.472    1.764
 ISZ           H3     H    H         0.000     -0.507   -1.478    1.955
 ISZ           C5     C    CR16      0.000     -2.448   -2.170    2.579
 ISZ           H5     H    H         0.000     -2.035   -2.721    3.415
 ISZ           N1     N    NRD6      0.000     -3.788   -2.206    2.397
 ISZ           C4     C    CR16      0.000     -4.270   -1.505    1.345
 ISZ           H4     H    H         0.000     -5.339   -1.515    1.175
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
 ISZ      O1     n/a    C6     START
 ISZ      C6     O1     C1     .
 ISZ      N2     C6     N3     .
 ISZ      N3     N2     HN1    .
 ISZ      HN1    N3     .      .
 ISZ      C1     C6     C3     .
 ISZ      C2     C1     H2     .
 ISZ      H2     C2     .      .
 ISZ      C3     C1     C5     .
 ISZ      H3     C3     .      .
 ISZ      C5     C3     N1     .
 ISZ      H5     C5     .      .
 ISZ      N1     C5     C4     .
 ISZ      C4     N1     H4     .
 ISZ      H4     C4     .      END
 ISZ      C2     C4     .    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
 ISZ      C2     C4        double      1.390    0.020
 ISZ      C2     C1        single      1.390    0.020
 ISZ      H2     C2        single      1.083    0.020
 ISZ      C4     N1        single      1.337    0.020
 ISZ      H4     C4        single      1.083    0.020
 ISZ      N1     C5        double      1.337    0.020
 ISZ      C5     C3        single      1.390    0.020
 ISZ      H5     C5        single      1.083    0.020
 ISZ      C3     C1        double      1.390    0.020
 ISZ      H3     C3        single      1.083    0.020
 ISZ      C1     C6        single      1.500    0.020
 ISZ      C6     O1        double      1.220    0.020
 ISZ      N2     C6        single      1.330    0.020
 ISZ      N3     N2        double      1.240    0.020
 ISZ      HN1    N3        single      0.954    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
 ISZ      O1     C6     N2      123.000    3.000
 ISZ      O1     C6     C1      120.500    3.000
 ISZ      N2     C6     C1      120.000    3.000
 ISZ      C6     N2     N3      120.000    3.000
 ISZ      N2     N3     HN1     120.000    3.000
 ISZ      C6     C1     C2      120.000    3.000
 ISZ      C6     C1     C3      120.000    3.000
 ISZ      C2     C1     C3      120.000    3.000
 ISZ      C1     C2     H2      120.000    3.000
 ISZ      C1     C2     C4      120.000    3.000
 ISZ      H2     C2     C4      120.000    3.000
 ISZ      C1     C3     H3      120.000    3.000
 ISZ      C1     C3     C5      120.000    3.000
 ISZ      H3     C3     C5      120.000    3.000
 ISZ      C3     C5     H5      120.000    3.000
 ISZ      C3     C5     N1      120.000    3.000
 ISZ      H5     C5     N1      120.000    3.000
 ISZ      C5     N1     C4      120.000    3.000
 ISZ      N1     C4     H4      120.000    3.000
 ISZ      N1     C4     C2      120.000    3.000
 ISZ      H4     C4     C2      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
 ISZ      CONST_1  O1     C6     N2     N3         0.000    0.000   0
 ISZ      CONST_2  C6     N2     N3     HN1      179.984    0.000   0
 ISZ      var_1    O1     C6     C1     C3        -0.101   20.000   1
 ISZ      CONST_3  C6     C1     C2     C4       180.000    0.000   0
 ISZ      CONST_4  C1     C2     C4     N1         0.000    0.000   0
 ISZ      CONST_5  C6     C1     C3     C5       180.000    0.000   0
 ISZ      CONST_6  C1     C3     C5     N1         0.000    0.000   0
 ISZ      CONST_7  C3     C5     N1     C4         0.000    0.000   0
 ISZ      CONST_8  C5     N1     C4     C2         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
 ISZ      plan-1    C2        0.020
 ISZ      plan-1    C4        0.020
 ISZ      plan-1    C1        0.020
 ISZ      plan-1    H2        0.020
 ISZ      plan-1    N1        0.020
 ISZ      plan-1    C5        0.020
 ISZ      plan-1    C3        0.020
 ISZ      plan-1    H4        0.020
 ISZ      plan-1    H5        0.020
 ISZ      plan-1    H3        0.020
 ISZ      plan-1    C6        0.020
 ISZ      plan-2    C6        0.020
 ISZ      plan-2    C1        0.020
 ISZ      plan-2    O1        0.020
 ISZ      plan-2    N2        0.020
 ISZ      plan-3    N2        0.020
 ISZ      plan-3    C6        0.020
 ISZ      plan-3    N3        0.020
 ISZ      plan-3    HN1       0.020
# ------------------------------------------------------
