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
JZ3      JZ3 '2-methoxyphenol                     ' non-polymer        17   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_JZ3
#
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
 JZ3           OAB    O    OH1       0.000      0.000    0.000    0.000
 JZ3           HOAB   H    H         0.000      0.317   -0.080    0.910
 JZ3           CAH    C    CR6       0.000     -1.353    0.137    0.003
 JZ3           CAI    C    CR6       0.000     -1.925    1.405    0.067
 JZ3           OAG    O    O2        0.000     -1.132    2.508    0.128
 JZ3           CAA    C    CH3       0.000     -1.789    3.776    0.186
 JZ3           HAAB   H    H         0.000     -2.401    3.818    1.049
 JZ3           HAAA   H    H         0.000     -1.065    4.548    0.229
 JZ3           HAA    H    H         0.000     -2.389    3.903   -0.678
 JZ3           CAE    C    CR16      0.000     -2.165   -0.984   -0.052
 JZ3           HAE    H    H         0.000     -1.722   -1.971   -0.092
 JZ3           CAC    C    CR16      0.000     -3.540   -0.842   -0.055
 JZ3           HAC    H    H         0.000     -4.173   -1.719   -0.103
 JZ3           CAD    C    CR16      0.000     -4.109    0.417    0.003
 JZ3           HAD    H    H         0.000     -5.186    0.524    0.000
 JZ3           CAF    C    CR16      0.000     -3.304    1.539    0.064
 JZ3           HAF    H    H         0.000     -3.751    2.524    0.111
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
 JZ3      OAB    n/a    CAH    START
 JZ3      HOAB   OAB    .      .
 JZ3      CAH    OAB    CAE    .
 JZ3      CAI    CAH    OAG    .
 JZ3      OAG    CAI    CAA    .
 JZ3      CAA    OAG    HAA    .
 JZ3      HAAB   CAA    .      .
 JZ3      HAAA   CAA    .      .
 JZ3      HAA    CAA    .      .
 JZ3      CAE    CAH    CAC    .
 JZ3      HAE    CAE    .      .
 JZ3      CAC    CAE    CAD    .
 JZ3      HAC    CAC    .      .
 JZ3      CAD    CAC    CAF    .
 JZ3      HAD    CAD    .      .
 JZ3      CAF    CAD    HAF    .
 JZ3      HAF    CAF    .      END
 JZ3      CAI    CAF    .    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
 JZ3      CAA    OAG       single      1.426    0.020
 JZ3      OAG    CAI       single      1.370    0.020
 JZ3      CAI    CAF       double      1.390    0.020
 JZ3      CAI    CAH       single      1.487    0.020
 JZ3      CAF    CAD       single      1.390    0.020
 JZ3      CAD    CAC       double      1.390    0.020
 JZ3      CAC    CAE       single      1.390    0.020
 JZ3      CAE    CAH       double      1.390    0.020
 JZ3      CAH    OAB       single      1.362    0.020
 JZ3      HAA    CAA       single      1.059    0.020
 JZ3      HAAA   CAA       single      1.059    0.020
 JZ3      HAAB   CAA       single      1.059    0.020
 JZ3      HAF    CAF       single      1.083    0.020
 JZ3      HAD    CAD       single      1.083    0.020
 JZ3      HAC    CAC       single      1.083    0.020
 JZ3      HAE    CAE       single      1.083    0.020
 JZ3      HOAB   OAB       single      0.967    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
 JZ3      HOAB   OAB    CAH     109.470    3.000
 JZ3      OAB    CAH    CAI     120.000    3.000
 JZ3      OAB    CAH    CAE     120.000    3.000
 JZ3      CAI    CAH    CAE     120.000    3.000
 JZ3      CAH    CAI    OAG     120.000    3.000
 JZ3      CAH    CAI    CAF     120.000    3.000
 JZ3      OAG    CAI    CAF     120.000    3.000
 JZ3      CAI    OAG    CAA     120.000    3.000
 JZ3      OAG    CAA    HAAB    109.470    3.000
 JZ3      OAG    CAA    HAAA    109.470    3.000
 JZ3      OAG    CAA    HAA     109.470    3.000
 JZ3      HAAB   CAA    HAAA    109.470    3.000
 JZ3      HAAB   CAA    HAA     109.470    3.000
 JZ3      HAAA   CAA    HAA     109.470    3.000
 JZ3      CAH    CAE    HAE     120.000    3.000
 JZ3      CAH    CAE    CAC     120.000    3.000
 JZ3      HAE    CAE    CAC     120.000    3.000
 JZ3      CAE    CAC    HAC     120.000    3.000
 JZ3      CAE    CAC    CAD     120.000    3.000
 JZ3      HAC    CAC    CAD     120.000    3.000
 JZ3      CAC    CAD    HAD     120.000    3.000
 JZ3      CAC    CAD    CAF     120.000    3.000
 JZ3      HAD    CAD    CAF     120.000    3.000
 JZ3      CAD    CAF    HAF     120.000    3.000
 JZ3      CAD    CAF    CAI     120.000    3.000
 JZ3      HAF    CAF    CAI     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
 JZ3      var_1    HOAB   OAB    CAH    CAE      -89.659   20.000   1
 JZ3      CONST_1  OAB    CAH    CAI    OAG        0.000    0.000   0
 JZ3      CONST_2  CAH    CAI    CAF    CAD        0.000    0.000   0
 JZ3      var_2    CAH    CAI    OAG    CAA      179.728   20.000   1
 JZ3      var_3    CAI    OAG    CAA    HAA      -59.973   20.000   1
 JZ3      CONST_3  OAB    CAH    CAE    CAC      180.000    0.000   0
 JZ3      CONST_4  CAH    CAE    CAC    CAD        0.000    0.000   0
 JZ3      CONST_5  CAE    CAC    CAD    CAF        0.000    0.000   0
 JZ3      CONST_6  CAC    CAD    CAF    CAI        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
 JZ3      plan-1    CAI       0.020
 JZ3      plan-1    OAG       0.020
 JZ3      plan-1    CAF       0.020
 JZ3      plan-1    CAH       0.020
 JZ3      plan-1    CAD       0.020
 JZ3      plan-1    CAC       0.020
 JZ3      plan-1    CAE       0.020
 JZ3      plan-1    HAF       0.020
 JZ3      plan-1    HAD       0.020
 JZ3      plan-1    HAC       0.020
 JZ3      plan-1    HAE       0.020
 JZ3      plan-1    OAB       0.020
# ------------------------------------------------------
