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
TZO      TZO '1,3-THIAZOLE-4-CARBOXYLIC ACID      ' non-polymer        10   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_TZO
#
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
 TZO           O61    O    OC       -0.500      0.000    0.000    0.000
 TZO           C6     C    C         0.000     -1.193    0.001    0.376
 TZO           O7     O    OC       -0.500     -1.464    0.000    1.597
 TZO           C5     C    CR5       0.000     -2.278    0.000   -0.618
 TZO           N1     N    NRD5      0.000     -2.017    0.004   -1.925
 TZO           C4     C    CR15      0.000     -3.595    0.000   -0.234
 TZO           HC41   H    H         0.000     -4.018    0.000    0.763
 TZO           S3     S    S2        0.000     -4.403    0.000   -1.769
 TZO           C2     C    CR15      0.000     -3.001   -0.001   -2.787
 TZO           HC21   H    H         0.000     -2.951   -0.005   -3.869
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
 TZO      O61    n/a    C6     START
 TZO      C6     O61    C5     .
 TZO      O7     C6     .      .
 TZO      C5     C6     C4     .
 TZO      N1     C5     .      .
 TZO      C4     C5     S3     .
 TZO      HC41   C4     .      .
 TZO      S3     C4     C2     .
 TZO      C2     S3     HC21   .
 TZO      HC21   C2     .      END
 TZO      C2     N1     .    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
 TZO      C2     N1        double      1.350    0.020
 TZO      C2     S3        single      1.745    0.020
 TZO      HC21   C2        single      1.083    0.020
 TZO      N1     C5        single      1.350    0.020
 TZO      S3     C4        single      1.745    0.020
 TZO      C4     C5        double      1.387    0.020
 TZO      C5     C6        single      1.490    0.020
 TZO      HC41   C4        single      1.083    0.020
 TZO      O7     C6        deloc       1.250    0.020
 TZO      C6     O61       deloc       1.250    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
 TZO      O61    C6     O7      123.000    3.000
 TZO      O61    C6     C5      120.000    3.000
 TZO      O7     C6     C5      120.000    3.000
 TZO      C6     C5     N1      126.000    3.000
 TZO      C6     C5     C4      126.000    3.000
 TZO      N1     C5     C4      108.000    3.000
 TZO      C5     N1     C2      108.000    3.000
 TZO      C5     C4     HC41    126.000    3.000
 TZO      C5     C4     S3      108.000    3.000
 TZO      HC41   C4     S3      108.000    3.000
 TZO      C4     S3     C2       98.253    3.000
 TZO      S3     C2     HC21    108.000    3.000
 TZO      S3     C2     N1      108.000    3.000
 TZO      HC21   C2     N1      126.000    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
 TZO      var_1    O61    C6     C5     C4       179.952   20.000   1
 TZO      CONST_1  C6     C5     N1     C2       180.000    0.000   0
 TZO      CONST_2  C6     C5     C4     S3       180.000    0.000   0
 TZO      CONST_3  C5     C4     S3     C2         0.000    0.000   0
 TZO      CONST_4  C4     S3     C2     N1         0.000    0.000   0
 TZO      CONST_5  S3     C2     N1     C5         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
 TZO      plan-1    C2        0.020
 TZO      plan-1    N1        0.020
 TZO      plan-1    S3        0.020
 TZO      plan-1    HC21      0.020
 TZO      plan-1    C5        0.020
 TZO      plan-1    C4        0.020
 TZO      plan-1    C6        0.020
 TZO      plan-1    HC41      0.020
 TZO      plan-2    C6        0.020
 TZO      plan-2    C5        0.020
 TZO      plan-2    O7        0.020
 TZO      plan-2    O61       0.020
# ------------------------------------------------------
