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
JZ6      JZ6 '4-chloro-1H-pyrazole                ' non-polymer         9   6 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_JZ6
#
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
 JZ6           CLAA   CL   CL        0.000      0.000    0.000    0.000
 JZ6           CAF    C    CR5       0.000     -1.736    0.003    0.000
 JZ6           CAB    C    CR15      0.000     -2.535   -1.090    0.000
 JZ6           HAB    H    H         0.000     -2.205   -2.122    0.000
 JZ6           CAC    C    CR15      0.000     -2.558    1.136    0.000
 JZ6           HAC    H    H         0.000     -2.220    2.165    0.000
 JZ6           NAE    N    NRD5      0.000     -3.804    0.737    0.000
 JZ6           NAD    N    NR15      0.000     -3.816   -0.664    0.000
 JZ6           HNAD   H    H         0.000     -4.663   -1.268    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
 JZ6      CLAA   n/a    CAF    START
 JZ6      CAF    CLAA   CAC    .
 JZ6      CAB    CAF    HAB    .
 JZ6      HAB    CAB    .      .
 JZ6      CAC    CAF    NAE    .
 JZ6      HAC    CAC    .      .
 JZ6      NAE    CAC    NAD    .
 JZ6      NAD    NAE    HNAD   .
 JZ6      HNAD   NAD    .      END
 JZ6      CAB    NAD    .    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
 JZ6      CAF    CLAA      single      1.845    0.020
 JZ6      CAB    NAD       single      1.350    0.020
 JZ6      CAB    CAF       double      1.387    0.020
 JZ6      NAE    CAC       double      1.350    0.020
 JZ6      CAC    CAF       single      1.387    0.020
 JZ6      NAD    NAE       single      1.402    0.020
 JZ6      HAB    CAB       single      1.083    0.020
 JZ6      HAC    CAC       single      1.083    0.020
 JZ6      HNAD   NAD       single      1.040    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
 JZ6      CLAA   CAF    CAB     108.000    3.000
 JZ6      CLAA   CAF    CAC     108.000    3.000
 JZ6      CAB    CAF    CAC     108.000    3.000
 JZ6      CAF    CAB    HAB     126.000    3.000
 JZ6      CAF    CAB    NAD     108.000    3.000
 JZ6      HAB    CAB    NAD     126.000    3.000
 JZ6      CAF    CAC    HAC     126.000    3.000
 JZ6      CAF    CAC    NAE     108.000    3.000
 JZ6      HAC    CAC    NAE     126.000    3.000
 JZ6      CAC    NAE    NAD     108.000    3.000
 JZ6      NAE    NAD    HNAD    108.000    3.000
 JZ6      NAE    NAD    CAB     108.000    3.000
 JZ6      HNAD   NAD    CAB     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
 JZ6      CONST_1  CLAA   CAF    CAB    NAD      180.000    0.000   0
 JZ6      CONST_2  CAF    CAB    NAD    NAE        0.000    0.000   0
 JZ6      CONST_3  CLAA   CAF    CAC    NAE      180.000    0.000   0
 JZ6      CONST_4  CAF    CAC    NAE    NAD        0.000    0.000   0
 JZ6      CONST_5  CAC    NAE    NAD    CAB        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
 JZ6      plan-1    CAB       0.020
 JZ6      plan-1    NAD       0.020
 JZ6      plan-1    CAF       0.020
 JZ6      plan-1    HAB       0.020
 JZ6      plan-1    CAC       0.020
 JZ6      plan-1    NAE       0.020
 JZ6      plan-1    HAC       0.020
 JZ6      plan-1    HNAD      0.020
 JZ6      plan-1    CLAA      0.020
# ------------------------------------------------------
