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
JZ5      JZ5 '(NZ)-N-(thiophen-2-ylmethylidene)hyd' non-polymer        13   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_JZ5
#
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
 JZ5           OAB    O    OH1       0.000      0.000    0.000    0.000
 JZ5           HOAB   H    H         0.000      0.954    0.166    0.000
 JZ5           NAF    N    N         0.000     -0.243   -1.395    0.000
 JZ5           CAH    C    C1        0.000     -1.461   -1.841    0.000
 JZ5           HAH    H    H         0.000     -1.646   -2.902    0.000
 JZ5           CAI    C    CR5       0.000     -2.586   -0.899    0.000
 JZ5           SAG    S    S2        0.000     -2.447    0.854    0.000
 JZ5           CAD    C    CR15      0.000     -4.197    1.027    0.000
 JZ5           HAD    H    H         0.000     -4.728    1.970    0.000
 JZ5           CAE    C    CR15      0.000     -3.904   -1.246    0.000
 JZ5           HAE    H    H         0.000     -4.239   -2.276    0.000
 JZ5           CAC    C    CR15      0.000     -4.774   -0.180    0.000
 JZ5           HAC    H    H         0.000     -5.850   -0.309    0.000
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
 JZ5      OAB    n/a    NAF    START
 JZ5      HOAB   OAB    .      .
 JZ5      NAF    OAB    CAH    .
 JZ5      CAH    NAF    CAI    .
 JZ5      HAH    CAH    .      .
 JZ5      CAI    CAH    CAE    .
 JZ5      SAG    CAI    CAD    .
 JZ5      CAD    SAG    HAD    .
 JZ5      HAD    CAD    .      .
 JZ5      CAE    CAI    CAC    .
 JZ5      HAE    CAE    .      .
 JZ5      CAC    CAE    HAC    .
 JZ5      HAC    CAC    .      END
 JZ5      CAC    CAD    .    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
 JZ5      NAF    OAB       single      1.392    0.020
 JZ5      CAC    CAD       double      1.380    0.020
 JZ5      CAC    CAE       single      1.380    0.020
 JZ5      CAD    SAG       single      1.745    0.020
 JZ5      CAE    CAI       double      1.387    0.020
 JZ5      CAH    NAF       double      1.260    0.020
 JZ5      SAG    CAI       single      1.745    0.020
 JZ5      CAI    CAH       single      1.483    0.020
 JZ5      HOAB   OAB       single      0.967    0.020
 JZ5      HAC    CAC       single      1.083    0.020
 JZ5      HAD    CAD       single      1.083    0.020
 JZ5      HAE    CAE       single      1.083    0.020
 JZ5      HAH    CAH       single      1.077    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
 JZ5      HOAB   OAB    NAF     109.470    3.000
 JZ5      OAB    NAF    CAH     120.000    3.000
 JZ5      NAF    CAH    HAH     120.000    3.000
 JZ5      NAF    CAH    CAI     120.000    3.000
 JZ5      HAH    CAH    CAI     120.000    3.000
 JZ5      CAH    CAI    SAG     108.000    3.000
 JZ5      CAH    CAI    CAE     108.000    3.000
 JZ5      SAG    CAI    CAE     108.000    3.000
 JZ5      CAI    SAG    CAD      91.087    3.000
 JZ5      SAG    CAD    HAD     108.000    3.000
 JZ5      SAG    CAD    CAC     108.000    3.000
 JZ5      HAD    CAD    CAC     126.000    3.000
 JZ5      CAI    CAE    HAE     126.000    3.000
 JZ5      CAI    CAE    CAC     108.000    3.000
 JZ5      HAE    CAE    CAC     126.000    3.000
 JZ5      CAE    CAC    HAC     126.000    3.000
 JZ5      CAE    CAC    CAD     108.000    3.000
 JZ5      HAC    CAC    CAD     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
 JZ5      var_1    HOAB   OAB    NAF    CAH      180.000   20.000   1
 JZ5      CONST_1  OAB    NAF    CAH    CAI        0.000    0.000   0
 JZ5      var_2    NAF    CAH    CAI    CAE      180.000   20.000   1
 JZ5      CONST_2  CAH    CAI    SAG    CAD      180.000    0.000   0
 JZ5      CONST_3  CAI    SAG    CAD    CAC        0.000    0.000   0
 JZ5      CONST_4  CAH    CAI    CAE    CAC      180.000    0.000   0
 JZ5      CONST_5  CAI    CAE    CAC    CAD        0.000    0.000   0
 JZ5      CONST_6  CAE    CAC    CAD    SAG        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
 JZ5      plan-1    CAC       0.020
 JZ5      plan-1    CAD       0.020
 JZ5      plan-1    CAE       0.020
 JZ5      plan-1    HAC       0.020
 JZ5      plan-1    SAG       0.020
 JZ5      plan-1    CAI       0.020
 JZ5      plan-1    HAD       0.020
 JZ5      plan-1    HAE       0.020
 JZ5      plan-1    CAH       0.020
 JZ5      plan-1    HAH       0.020
 JZ5      plan-2    NAF       0.020
 JZ5      plan-2    OAB       0.020
 JZ5      plan-2    CAH       0.020
 JZ5      plan-2    CAI       0.020
 JZ5      plan-2    HAH       0.020
# ------------------------------------------------------
