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
JZ9      JZ9 '4,5,6,7-tetrahydro-1H-indole        ' non-polymer        20   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_JZ9
#
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
 JZ9           HNAG   H    H         0.000      0.069    0.008    0.001
 JZ9           NAG    N    NR15      0.000     -0.964   -0.116   -0.017
 JZ9           CAA    C    CR15      0.000     -1.620   -1.300   -0.191
 JZ9           HAA    H    H         0.000     -1.155   -2.268   -0.333
 JZ9           CAI    C    CR5       0.000     -1.883    0.874    0.127
 JZ9           CAF    C    CH2       0.000     -1.631    2.346    0.339
 JZ9           HAF    H    H         0.000     -0.837    2.689   -0.329
 JZ9           HAFA   H    H         0.000     -1.338    2.530    1.375
 JZ9           CAD    C    CH2       0.000     -2.925    3.108    0.029
 JZ9           HADA   H    H         0.000     -3.120    3.072   -1.044
 JZ9           HAD    H    H         0.000     -2.817    4.149    0.343
 JZ9           CAH    C    CR5       0.000     -3.115    0.320    0.049
 JZ9           CAB    C    CR15      0.000     -2.948   -1.058   -0.153
 JZ9           HAB    H    H         0.000     -3.738   -1.791   -0.260
 JZ9           CAE    C    CH2       0.000     -4.403    1.094    0.166
 JZ9           HAE    H    H         0.000     -5.104    0.555    0.806
 JZ9           HAEA   H    H         0.000     -4.846    1.232   -0.822
 JZ9           CAC    C    CH2       0.000     -4.091    2.463    0.785
 JZ9           HACA   H    H         0.000     -3.820    2.335    1.835
 JZ9           HAC    H    H         0.000     -4.972    3.104    0.713
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
 JZ9      HNAG   n/a    NAG    START
 JZ9      NAG    HNAG   CAI    .
 JZ9      CAA    NAG    HAA    .
 JZ9      HAA    CAA    .      .
 JZ9      CAI    NAG    CAH    .
 JZ9      CAF    CAI    CAD    .
 JZ9      HAF    CAF    .      .
 JZ9      HAFA   CAF    .      .
 JZ9      CAD    CAF    HAD    .
 JZ9      HADA   CAD    .      .
 JZ9      HAD    CAD    .      .
 JZ9      CAH    CAI    CAE    .
 JZ9      CAB    CAH    HAB    .
 JZ9      HAB    CAB    .      .
 JZ9      CAE    CAH    CAC    .
 JZ9      HAE    CAE    .      .
 JZ9      HAEA   CAE    .      .
 JZ9      CAC    CAE    HAC    .
 JZ9      HACA   CAC    .      .
 JZ9      HAC    CAC    .      END
 JZ9      CAA    CAB    .    ADD
 JZ9      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
 JZ9      CAA    CAB       double      1.380    0.020
 JZ9      CAA    NAG       single      1.350    0.020
 JZ9      CAB    CAH       single      1.387    0.020
 JZ9      CAC    CAD       single      1.524    0.020
 JZ9      CAC    CAE       single      1.524    0.020
 JZ9      CAD    CAF       single      1.524    0.020
 JZ9      CAE    CAH       single      1.510    0.020
 JZ9      CAF    CAI       single      1.510    0.020
 JZ9      CAI    NAG       single      1.340    0.020
 JZ9      CAH    CAI       double      1.490    0.020
 JZ9      HAA    CAA       single      1.083    0.020
 JZ9      HAB    CAB       single      1.083    0.020
 JZ9      HAC    CAC       single      1.092    0.020
 JZ9      HACA   CAC       single      1.092    0.020
 JZ9      HAD    CAD       single      1.092    0.020
 JZ9      HADA   CAD       single      1.092    0.020
 JZ9      HAE    CAE       single      1.092    0.020
 JZ9      HAEA   CAE       single      1.092    0.020
 JZ9      HAF    CAF       single      1.092    0.020
 JZ9      HAFA   CAF       single      1.092    0.020
 JZ9      NAG    HNAG      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
 JZ9      HNAG   NAG    CAA     126.000    3.000
 JZ9      HNAG   NAG    CAI     126.000    3.000
 JZ9      CAA    NAG    CAI     108.000    3.000
 JZ9      NAG    CAA    HAA     126.000    3.000
 JZ9      NAG    CAA    CAB     108.000    3.000
 JZ9      HAA    CAA    CAB     126.000    3.000
 JZ9      NAG    CAI    CAF     126.000    3.000
 JZ9      NAG    CAI    CAH     108.000    3.000
 JZ9      CAF    CAI    CAH     126.000    3.000
 JZ9      CAI    CAF    HAF     109.470    3.000
 JZ9      CAI    CAF    HAFA    109.470    3.000
 JZ9      CAI    CAF    CAD     109.470    3.000
 JZ9      HAF    CAF    HAFA    107.900    3.000
 JZ9      HAF    CAF    CAD     109.470    3.000
 JZ9      HAFA   CAF    CAD     109.470    3.000
 JZ9      CAF    CAD    HADA    109.470    3.000
 JZ9      CAF    CAD    HAD     109.470    3.000
 JZ9      CAF    CAD    CAC     111.000    3.000
 JZ9      HADA   CAD    HAD     107.900    3.000
 JZ9      HADA   CAD    CAC     109.470    3.000
 JZ9      HAD    CAD    CAC     109.470    3.000
 JZ9      CAI    CAH    CAB     108.000    3.000
 JZ9      CAI    CAH    CAE     126.000    3.000
 JZ9      CAB    CAH    CAE     126.000    3.000
 JZ9      CAH    CAB    HAB     126.000    3.000
 JZ9      CAH    CAB    CAA     108.000    3.000
 JZ9      HAB    CAB    CAA     126.000    3.000
 JZ9      CAH    CAE    HAE     109.470    3.000
 JZ9      CAH    CAE    HAEA    109.470    3.000
 JZ9      CAH    CAE    CAC     109.470    3.000
 JZ9      HAE    CAE    HAEA    107.900    3.000
 JZ9      HAE    CAE    CAC     109.470    3.000
 JZ9      HAEA   CAE    CAC     109.470    3.000
 JZ9      CAE    CAC    HACA    109.470    3.000
 JZ9      CAE    CAC    HAC     109.470    3.000
 JZ9      CAE    CAC    CAD     111.000    3.000
 JZ9      HACA   CAC    HAC     107.900    3.000
 JZ9      HACA   CAC    CAD     109.470    3.000
 JZ9      HAC    CAC    CAD     109.470    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
 JZ9      CONST_1  HNAG   NAG    CAA    CAB      180.000    0.000   0
 JZ9      CONST_2  NAG    CAA    CAB    CAH        0.000    0.000   0
 JZ9      CONST_3  HNAG   NAG    CAI    CAH      180.000    0.000   0
 JZ9      var_1    NAG    CAI    CAF    CAD      150.000   20.000   2
 JZ9      var_2    CAI    CAF    CAD    CAC       60.000   20.000   3
 JZ9      CONST_4  NAG    CAI    CAH    CAE      180.000    0.000   0
 JZ9      CONST_5  CAI    CAH    CAB    CAA        0.000    0.000   0
 JZ9      var_3    CAI    CAH    CAE    CAC      -30.000   20.000   2
 JZ9      var_4    CAH    CAE    CAC    CAD       60.000   20.000   3
 JZ9      var_5    CAE    CAC    CAD    CAF      -60.000   20.000   3
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
 JZ9      plan-1    CAA       0.020
 JZ9      plan-1    CAB       0.020
 JZ9      plan-1    NAG       0.020
 JZ9      plan-1    HAA       0.020
 JZ9      plan-1    CAH       0.020
 JZ9      plan-1    CAI       0.020
 JZ9      plan-1    HAB       0.020
 JZ9      plan-1    HNAG      0.020
 JZ9      plan-1    CAE       0.020
 JZ9      plan-1    CAF       0.020
# ------------------------------------------------------
