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
JZ7      JZ7 '(2S)-2-ethoxy-3,4-dihydro-2H-pyran  ' non-polymer        21   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_JZ7
#
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
 JZ7           CAA    C    CH3       0.000      0.000    0.000    0.000
 JZ7           HAA    H    H         0.000      0.211    1.023   -0.180
 JZ7           HAAA   H    H         0.000      0.045   -0.188    1.042
 JZ7           HAAB   H    H         0.000      0.721   -0.599   -0.496
 JZ7           CAD    C    CH2       0.000     -1.397   -0.338   -0.524
 JZ7           HAD    H    H         0.000     -1.610   -1.392   -0.337
 JZ7           HADA   H    H         0.000     -1.439   -0.144   -1.598
 JZ7           OAH    O    O2        0.000     -2.366    0.472    0.147
 JZ7           CAI    C    CH1       0.000     -3.712    0.234   -0.272
 JZ7           HAI    H    H         0.000     -3.768    0.256   -1.369
 JZ7           OAG    O    O2        0.000     -4.147   -1.041    0.208
 JZ7           CAC    C    C1        0.000     -5.467   -1.320    0.136
 JZ7           HAC    H    H         0.000     -5.779   -2.347    0.231
 JZ7           CAF    C    CH2       0.000     -4.634    1.310    0.316
 JZ7           HAF    H    H         0.000     -4.305    2.301   -0.004
 JZ7           HAFA   H    H         0.000     -4.624    1.258    1.406
 JZ7           CAE    C    CH2       0.000     -6.056    1.052   -0.197
 JZ7           HAE    H    H         0.000     -6.119    1.332   -1.250
 JZ7           HAEA   H    H         0.000     -6.764    1.650    0.381
 JZ7           CAB    C    C1        0.000     -6.386   -0.407   -0.043
 JZ7           HAB    H    H         0.000     -7.418   -0.711   -0.083
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
 JZ7      CAA    n/a    CAD    START
 JZ7      HAA    CAA    .      .
 JZ7      HAAA   CAA    .      .
 JZ7      HAAB   CAA    .      .
 JZ7      CAD    CAA    OAH    .
 JZ7      HAD    CAD    .      .
 JZ7      HADA   CAD    .      .
 JZ7      OAH    CAD    CAI    .
 JZ7      CAI    OAH    CAF    .
 JZ7      HAI    CAI    .      .
 JZ7      OAG    CAI    CAC    .
 JZ7      CAC    OAG    HAC    .
 JZ7      HAC    CAC    .      .
 JZ7      CAF    CAI    CAE    .
 JZ7      HAF    CAF    .      .
 JZ7      HAFA   CAF    .      .
 JZ7      CAE    CAF    CAB    .
 JZ7      HAE    CAE    .      .
 JZ7      HAEA   CAE    .      .
 JZ7      CAB    CAE    HAB    .
 JZ7      HAB    CAB    .      END
 JZ7      CAB    CAC    .    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
 JZ7      CAD    CAA       single      1.513    0.020
 JZ7      CAB    CAC       double      1.330    0.020
 JZ7      CAB    CAE       single      1.510    0.020
 JZ7      CAC    OAG       single      1.454    0.020
 JZ7      OAH    CAD       single      1.426    0.020
 JZ7      CAE    CAF       single      1.524    0.020
 JZ7      CAF    CAI       single      1.524    0.020
 JZ7      OAG    CAI       single      1.426    0.020
 JZ7      CAI    OAH       single      1.426    0.020
 JZ7      HAA    CAA       single      1.059    0.020
 JZ7      HAAA   CAA       single      1.059    0.020
 JZ7      HAAB   CAA       single      1.059    0.020
 JZ7      HAB    CAB       single      1.077    0.020
 JZ7      HAC    CAC       single      1.077    0.020
 JZ7      HAD    CAD       single      1.092    0.020
 JZ7      HADA   CAD       single      1.092    0.020
 JZ7      HAE    CAE       single      1.092    0.020
 JZ7      HAEA   CAE       single      1.092    0.020
 JZ7      HAF    CAF       single      1.092    0.020
 JZ7      HAFA   CAF       single      1.092    0.020
 JZ7      HAI    CAI       single      1.099    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
 JZ7      HAA    CAA    HAAA    109.470    3.000
 JZ7      HAA    CAA    HAAB    109.470    3.000
 JZ7      HAAA   CAA    HAAB    109.470    3.000
 JZ7      HAA    CAA    CAD     109.470    3.000
 JZ7      HAAA   CAA    CAD     109.470    3.000
 JZ7      HAAB   CAA    CAD     109.470    3.000
 JZ7      CAA    CAD    HAD     109.470    3.000
 JZ7      CAA    CAD    HADA    109.470    3.000
 JZ7      CAA    CAD    OAH     109.470    3.000
 JZ7      HAD    CAD    HADA    107.900    3.000
 JZ7      HAD    CAD    OAH     109.470    3.000
 JZ7      HADA   CAD    OAH     109.470    3.000
 JZ7      CAD    OAH    CAI     111.800    3.000
 JZ7      OAH    CAI    HAI     109.470    3.000
 JZ7      OAH    CAI    OAG     109.470    3.000
 JZ7      OAH    CAI    CAF     109.470    3.000
 JZ7      HAI    CAI    OAG     109.470    3.000
 JZ7      HAI    CAI    CAF     108.340    3.000
 JZ7      OAG    CAI    CAF     109.470    3.000
 JZ7      CAI    OAG    CAC     120.000    3.000
 JZ7      OAG    CAC    HAC     120.000    3.000
 JZ7      OAG    CAC    CAB     120.000    3.000
 JZ7      HAC    CAC    CAB     120.000    3.000
 JZ7      CAI    CAF    HAF     109.470    3.000
 JZ7      CAI    CAF    HAFA    109.470    3.000
 JZ7      CAI    CAF    CAE     111.000    3.000
 JZ7      HAF    CAF    HAFA    107.900    3.000
 JZ7      HAF    CAF    CAE     109.470    3.000
 JZ7      HAFA   CAF    CAE     109.470    3.000
 JZ7      CAF    CAE    HAE     109.470    3.000
 JZ7      CAF    CAE    HAEA    109.470    3.000
 JZ7      CAF    CAE    CAB     109.470    3.000
 JZ7      HAE    CAE    HAEA    107.900    3.000
 JZ7      HAE    CAE    CAB     109.470    3.000
 JZ7      HAEA   CAE    CAB     109.470    3.000
 JZ7      CAE    CAB    HAB     120.000    3.000
 JZ7      CAE    CAB    CAC     120.000    3.000
 JZ7      HAB    CAB    CAC     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
 JZ7      var_1    HAAB   CAA    CAD    OAH     -179.992   20.000   3
 JZ7      var_2    CAA    CAD    OAH    CAI      179.991   20.000   1
 JZ7      var_3    CAD    OAH    CAI    CAF     -170.018   20.000   1
 JZ7      var_4    OAH    CAI    OAG    CAC      180.000   20.000   1
 JZ7      var_5    CAI    OAG    CAC    CAB      -30.000   20.000   1
 JZ7      var_6    OAH    CAI    CAF    CAE      180.000   20.000   3
 JZ7      var_7    CAI    CAF    CAE    CAB       60.000   20.000   3
 JZ7      var_8    CAF    CAE    CAB    CAC      -30.000   20.000   1
 JZ7      var_9    CAE    CAB    CAC    OAG        0.000   20.000   1
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 JZ7      chir_01  CAI    CAF    OAG    OAH       positiv
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
 JZ7      plan-1    CAB       0.020
 JZ7      plan-1    CAC       0.020
 JZ7      plan-1    CAE       0.020
 JZ7      plan-1    HAB       0.020
 JZ7      plan-1    HAC       0.020
 JZ7      plan-2    CAC       0.020
 JZ7      plan-2    CAB       0.020
 JZ7      plan-2    OAG       0.020
 JZ7      plan-2    HAC       0.020
 JZ7      plan-2    HAB       0.020
# ------------------------------------------------------
