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
TZC      TZC '1,2,4-TRIAZOLE-CARBOXAMIDINE        ' non-polymer        14   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_TZC
#
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
 TZC           N8     N    NH2       1.000      0.000    0.000    0.000
 TZC           HN81   H    H         0.000     -0.167   -0.995    0.002
 TZC           HN82   H    H         0.000      0.945    0.355   -0.001
 TZC           C6     C    C         0.000     -1.025    0.845   -0.001
 TZC           N7     N    NH2       0.000     -0.807    2.155   -0.002
 TZC           HN72   H    H         0.000     -1.587    2.796   -0.003
 TZC           HN71   H    H         0.000      0.139    2.508   -0.002
 TZC           N1     N    NR5       0.000     -2.323    0.359    0.001
 TZC           C5     C    CR15      0.000     -3.461    1.087    0.000
 TZC           H5     H    H         0.000     -3.526    2.168   -0.002
 TZC           N4     N    NRD5      0.000     -4.471    0.257    0.001
 TZC           C3     C    CR15      0.000     -4.024   -1.000    0.001
 TZC           H3     H    H         0.000     -4.644   -1.887    0.005
 TZC           N2     N    NRD5      0.000     -2.718   -0.989   -0.004
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
 TZC      N8     n/a    C6     START
 TZC      HN81   N8     .      .
 TZC      HN82   N8     .      .
 TZC      C6     N8     N1     .
 TZC      N7     C6     HN71   .
 TZC      HN72   N7     .      .
 TZC      HN71   N7     .      .
 TZC      N1     C6     C5     .
 TZC      C5     N1     N4     .
 TZC      H5     C5     .      .
 TZC      N4     C5     C3     .
 TZC      C3     N4     N2     .
 TZC      H3     C3     .      .
 TZC      N2     C3     .      END
 TZC      N1     N2     .    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
 TZC      N1     N2        single      1.402    0.020
 TZC      C5     N1        single      1.337    0.020
 TZC      N1     C6        single      1.365    0.020
 TZC      N2     C3        double      1.350    0.020
 TZC      C3     N4        single      1.350    0.020
 TZC      H3     C3        single      1.083    0.020
 TZC      N4     C5        double      1.350    0.020
 TZC      H5     C5        single      1.083    0.020
 TZC      N7     C6        single      1.332    0.020
 TZC      C6     N8        double      1.332    0.020
 TZC      HN71   N7        single      1.010    0.020
 TZC      HN72   N7        single      1.010    0.020
 TZC      HN81   N8        single      1.010    0.020
 TZC      HN82   N8        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
 TZC      HN81   N8     HN82    120.000    3.000
 TZC      HN81   N8     C6      120.000    3.000
 TZC      HN82   N8     C6      120.000    3.000
 TZC      N8     C6     N7      120.000    3.000
 TZC      N8     C6     N1      120.000    3.000
 TZC      N7     C6     N1      120.000    3.000
 TZC      C6     N7     HN72    120.000    3.000
 TZC      C6     N7     HN71    120.000    3.000
 TZC      HN72   N7     HN71    120.000    3.000
 TZC      C6     N1     C5      108.000    3.000
 TZC      C6     N1     N2      108.000    3.000
 TZC      C5     N1     N2      108.000    3.000
 TZC      N1     C5     H5      126.000    3.000
 TZC      N1     C5     N4      108.000    3.000
 TZC      H5     C5     N4      126.000    3.000
 TZC      C5     N4     C3      108.000    3.000
 TZC      N4     C3     H3      126.000    3.000
 TZC      N4     C3     N2      108.000    3.000
 TZC      H3     C3     N2      126.000    3.000
 TZC      C3     N2     N1      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
 TZC      CONST_1  HN82   N8     C6     N1       180.000    0.000   0
 TZC      CONST_2  N8     C6     N7     HN71       0.000    0.000   0
 TZC      var_1    N8     C6     N1     C5      -179.990   20.000   1
 TZC      CONST_3  C6     N1     N2     C3       180.000    0.000   0
 TZC      CONST_4  C6     N1     C5     N4       180.000    0.000   0
 TZC      CONST_5  N1     C5     N4     C3         0.000    0.000   0
 TZC      CONST_6  C5     N4     C3     N2         0.000    0.000   0
 TZC      CONST_7  N4     C3     N2     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
 TZC      plan-1    N1        0.020
 TZC      plan-1    N2        0.020
 TZC      plan-1    C5        0.020
 TZC      plan-1    C6        0.020
 TZC      plan-1    C3        0.020
 TZC      plan-1    N4        0.020
 TZC      plan-1    H3        0.020
 TZC      plan-1    H5        0.020
 TZC      plan-2    C6        0.020
 TZC      plan-2    N1        0.020
 TZC      plan-2    N7        0.020
 TZC      plan-2    N8        0.020
 TZC      plan-2    HN81      0.020
 TZC      plan-2    HN82      0.020
 TZC      plan-2    HN72      0.020
 TZC      plan-2    HN71      0.020
 TZC      plan-3    N7        0.020
 TZC      plan-3    C6        0.020
 TZC      plan-3    HN71      0.020
 TZC      plan-3    HN72      0.020
# ------------------------------------------------------
