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
AMT      AMT '2-AMINOTHIAZOLE                     ' non-polymer        10   6 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_AMT
#
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
 AMT           N      N    NH2       0.000      0.000    0.000    0.000
 AMT           HN1    H    H         0.000      0.878   -0.005   -0.511
 AMT           HN2    H    H         0.000      0.024    0.005    1.016
 AMT           C2     C    CR5       0.000     -1.210    0.000   -0.676
 AMT           N3     N    NRD5      0.000     -1.433    0.003   -1.976
 AMT           C4     C    CR15      0.000     -2.661   -0.001   -2.458
 AMT           H4     H    H         0.000     -2.836   -0.005   -3.526
 AMT           C5     C    CR15      0.000     -3.697    0.000   -1.587
 AMT           H5     H    H         0.000     -4.762    0.000   -1.781
 AMT           S1     S    S2        0.000     -2.821    0.000   -0.030
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
 AMT      N      n/a    C2     START
 AMT      HN1    N      .      .
 AMT      HN2    N      .      .
 AMT      C2     N      N3     .
 AMT      N3     C2     C4     .
 AMT      C4     N3     C5     .
 AMT      H4     C4     .      .
 AMT      C5     C4     S1     .
 AMT      H5     C5     .      .
 AMT      S1     C5     .      END
 AMT      S1     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
 AMT      S1     C2        single      1.745    0.020
 AMT      S1     C5        single      1.745    0.020
 AMT      N3     C2        double      1.350    0.020
 AMT      C2     N         single      1.355    0.020
 AMT      C4     N3        single      1.350    0.020
 AMT      C5     C4        double      1.380    0.020
 AMT      H4     C4        single      1.083    0.020
 AMT      H5     C5        single      1.083    0.020
 AMT      HN1    N         single      1.010    0.020
 AMT      HN2    N         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
 AMT      HN1    N      HN2     120.000    3.000
 AMT      HN1    N      C2      120.000    3.000
 AMT      HN2    N      C2      120.000    3.000
 AMT      N      C2     N3      108.000    3.000
 AMT      N      C2     S1      108.000    3.000
 AMT      N3     C2     S1      108.000    3.000
 AMT      C2     N3     C4      108.000    3.000
 AMT      N3     C4     H4      126.000    3.000
 AMT      N3     C4     C5      108.000    3.000
 AMT      H4     C4     C5      126.000    3.000
 AMT      C4     C5     H5      126.000    3.000
 AMT      C4     C5     S1      108.000    3.000
 AMT      H5     C5     S1      108.000    3.000
 AMT      C5     S1     C2       97.458    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
 AMT      CONST_1  HN2    N      C2     N3       179.435    0.000   0
 AMT      CONST_2  N      C2     N3     C4       180.000    0.000   0
 AMT      CONST_3  C2     N3     C4     C5         0.000    0.000   0
 AMT      CONST_4  N3     C4     C5     S1         0.000    0.000   0
 AMT      CONST_5  C4     C5     S1     C2         0.000    0.000   0
 AMT      CONST_6  C5     S1     C2     N        180.000    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
 AMT      plan-1    C2        0.020
 AMT      plan-1    S1        0.020
 AMT      plan-1    N3        0.020
 AMT      plan-1    N         0.020
 AMT      plan-1    C4        0.020
 AMT      plan-1    C5        0.020
 AMT      plan-1    H4        0.020
 AMT      plan-1    H5        0.020
 AMT      plan-1    HN1       0.020
 AMT      plan-1    HN2       0.020
 AMT      plan-2    N         0.020
 AMT      plan-2    C2        0.020
 AMT      plan-2    HN1       0.020
 AMT      plan-2    HN2       0.020
# ------------------------------------------------------
