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
TSZ      TSZ 'HYDRAZINECARBOTHIOAMIDE             ' non-polymer        10   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_TSZ
#
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
 TSZ           S      S    S1        0.000      0.000    0.000    0.000
 TSZ           C      C    C         0.000     -1.697    0.224   -0.005
 TSZ           N1     N    NH2       0.000     -2.518   -0.845    0.001
 TSZ           HN12   H    H         0.000     -2.135   -1.783    0.008
 TSZ           HN11   H    H         0.000     -3.523   -0.717   -0.002
 TSZ           N2     N    NH1       0.000     -2.213    1.469   -0.011
 TSZ           HN2    H    H         0.000     -1.599    2.270   -0.016
 TSZ           N3     N    NH2       0.000     -3.567    1.648   -0.011
 TSZ           HN32   H    H         0.000     -4.170    0.845   -0.008
 TSZ           HN31   H    H         0.000     -3.941    2.579   -0.015
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
 TSZ      S      n/a    C      START
 TSZ      C      S      N2     .
 TSZ      N1     C      HN11   .
 TSZ      HN12   N1     .      .
 TSZ      HN11   N1     .      .
 TSZ      N2     C      N3     .
 TSZ      HN2    N2     .      .
 TSZ      N3     N2     HN31   .
 TSZ      HN32   N3     .      .
 TSZ      HN31   N3     .      END
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
 TSZ      N1     C         single      1.332    0.020
 TSZ      N2     C         single      1.330    0.020
 TSZ      C      S         double      1.565    0.020
 TSZ      HN11   N1        single      1.010    0.020
 TSZ      HN12   N1        single      1.010    0.020
 TSZ      N3     N2        single      1.400    0.020
 TSZ      HN2    N2        single      1.010    0.020
 TSZ      HN31   N3        single      1.010    0.020
 TSZ      HN32   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
 TSZ      S      C      N1      120.000    3.000
 TSZ      S      C      N2      120.000    3.000
 TSZ      N1     C      N2      120.000    3.000
 TSZ      C      N1     HN12    120.000    3.000
 TSZ      C      N1     HN11    120.000    3.000
 TSZ      HN12   N1     HN11    120.000    3.000
 TSZ      C      N2     HN2     120.000    3.000
 TSZ      C      N2     N3      120.000    3.000
 TSZ      HN2    N2     N3      120.000    3.000
 TSZ      N2     N3     HN32    120.000    3.000
 TSZ      N2     N3     HN31    120.000    3.000
 TSZ      HN32   N3     HN31    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
 TSZ      CONST_1  S      C      N1     HN11     180.000    0.000   0
 TSZ      CONST_2  S      C      N2     N3       180.000    0.000   0
 TSZ      CONST_3  C      N2     N3     HN31     179.962    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
 TSZ      plan-1    C         0.020
 TSZ      plan-1    N1        0.020
 TSZ      plan-1    N2        0.020
 TSZ      plan-1    S         0.020
 TSZ      plan-1    HN12      0.020
 TSZ      plan-1    HN11      0.020
 TSZ      plan-1    HN2       0.020
 TSZ      plan-2    N1        0.020
 TSZ      plan-2    C         0.020
 TSZ      plan-2    HN11      0.020
 TSZ      plan-2    HN12      0.020
 TSZ      plan-3    N2        0.020
 TSZ      plan-3    C         0.020
 TSZ      plan-3    N3        0.020
 TSZ      plan-3    HN2       0.020
 TSZ      plan-3    HN32      0.020
 TSZ      plan-3    HN31      0.020
 TSZ      plan-4    N3        0.020
 TSZ      plan-4    N2        0.020
 TSZ      plan-4    HN31      0.020
 TSZ      plan-4    HN32      0.020
 TSZ      plan-4    HN2       0.020
# ------------------------------------------------------
