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
8AC      8AC '8-aminooctanoic acid                ' non-polymer        27  11 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_8AC
#
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
 8AC           OAC    O    OC       -0.500      0.000    0.000    0.000
 8AC           CAK    C    C         0.000     -1.156    0.479   -0.009
 8AC           OAB    O    OC       -0.500     -1.319    1.719   -0.027
 8AC           CAJ    C    CH2       0.000     -2.352   -0.438    0.004
 8AC           HAJ    H    H         0.000     -2.327   -1.055    0.905
 8AC           HAJA   H    H         0.000     -2.325   -1.082   -0.877
 8AC           CAI    C    CH2       0.000     -3.635    0.395   -0.010
 8AC           HAI    H    H         0.000     -3.657    1.012   -0.911
 8AC           HAIA   H    H         0.000     -3.659    1.039    0.871
 8AC           CAH    C    CH2       0.000     -4.849   -0.536    0.002
 8AC           HAH    H    H         0.000     -4.824   -1.153    0.903
 8AC           HAHA   H    H         0.000     -4.822   -1.180   -0.879
 8AC           CAG    C    CH2       0.000     -6.132    0.298   -0.012
 8AC           HAG    H    H         0.000     -6.154    0.915   -0.913
 8AC           HAGA   H    H         0.000     -6.156    0.942    0.869
 8AC           CAF    C    CH2       0.000     -7.345   -0.633    0.001
 8AC           HAF    H    H         0.000     -7.319   -1.251    0.901
 8AC           HAFA   H    H         0.000     -7.318   -1.277   -0.881
 8AC           CAE    C    CH2       0.000     -8.628    0.200   -0.013
 8AC           HAE    H    H         0.000     -8.650    0.818   -0.913
 8AC           HAEA   H    H         0.000     -8.652    0.843    0.870
 8AC           CAD    C    CH2       0.000     -9.841   -0.731   -0.001
 8AC           HAD    H    H         0.000     -9.817   -1.349    0.899
 8AC           HADA   H    H         0.000     -9.815   -1.374   -0.883
 8AC           NAA    N    NH2       0.000    -11.073    0.069   -0.013
 8AC           HNAB   H    H         0.000    -11.025    1.082   -0.028
 8AC           HNAA   H    H         0.000    -11.978   -0.385   -0.007
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
 8AC      OAC    n/a    CAK    START
 8AC      CAK    OAC    CAJ    .
 8AC      OAB    CAK    .      .
 8AC      CAJ    CAK    CAI    .
 8AC      HAJ    CAJ    .      .
 8AC      HAJA   CAJ    .      .
 8AC      CAI    CAJ    CAH    .
 8AC      HAI    CAI    .      .
 8AC      HAIA   CAI    .      .
 8AC      CAH    CAI    CAG    .
 8AC      HAH    CAH    .      .
 8AC      HAHA   CAH    .      .
 8AC      CAG    CAH    CAF    .
 8AC      HAG    CAG    .      .
 8AC      HAGA   CAG    .      .
 8AC      CAF    CAG    CAE    .
 8AC      HAF    CAF    .      .
 8AC      HAFA   CAF    .      .
 8AC      CAE    CAF    CAD    .
 8AC      HAE    CAE    .      .
 8AC      HAEA   CAE    .      .
 8AC      CAD    CAE    NAA    .
 8AC      HAD    CAD    .      .
 8AC      HADA   CAD    .      .
 8AC      NAA    CAD    HNAA   .
 8AC      HNAB   NAA    .      .
 8AC      HNAA   NAA    .      END
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
 8AC      NAA    CAD       single      1.450    0.020
 8AC      HNAA   NAA       single      1.010    0.020
 8AC      HNAB   NAA       single      1.010    0.020
 8AC      OAB    CAK       deloc       1.250    0.020
 8AC      CAK    OAC       deloc       1.250    0.020
 8AC      CAD    CAE       single      1.524    0.020
 8AC      HAD    CAD       single      1.092    0.020
 8AC      HADA   CAD       single      1.092    0.020
 8AC      CAE    CAF       single      1.524    0.020
 8AC      HAE    CAE       single      1.092    0.020
 8AC      HAEA   CAE       single      1.092    0.020
 8AC      CAF    CAG       single      1.524    0.020
 8AC      HAF    CAF       single      1.092    0.020
 8AC      HAFA   CAF       single      1.092    0.020
 8AC      CAG    CAH       single      1.524    0.020
 8AC      HAG    CAG       single      1.092    0.020
 8AC      HAGA   CAG       single      1.092    0.020
 8AC      CAH    CAI       single      1.524    0.020
 8AC      HAH    CAH       single      1.092    0.020
 8AC      HAHA   CAH       single      1.092    0.020
 8AC      CAI    CAJ       single      1.524    0.020
 8AC      HAI    CAI       single      1.092    0.020
 8AC      HAIA   CAI       single      1.092    0.020
 8AC      CAJ    CAK       single      1.510    0.020
 8AC      HAJ    CAJ       single      1.092    0.020
 8AC      HAJA   CAJ       single      1.092    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
 8AC      OAC    CAK    OAB     123.000    3.000
 8AC      OAC    CAK    CAJ     118.500    3.000
 8AC      OAB    CAK    CAJ     118.500    3.000
 8AC      CAK    CAJ    HAJ     109.470    3.000
 8AC      CAK    CAJ    HAJA    109.470    3.000
 8AC      CAK    CAJ    CAI     109.470    3.000
 8AC      HAJ    CAJ    HAJA    107.900    3.000
 8AC      HAJ    CAJ    CAI     109.470    3.000
 8AC      HAJA   CAJ    CAI     109.470    3.000
 8AC      CAJ    CAI    HAI     109.470    3.000
 8AC      CAJ    CAI    HAIA    109.470    3.000
 8AC      CAJ    CAI    CAH     111.000    3.000
 8AC      HAI    CAI    HAIA    107.900    3.000
 8AC      HAI    CAI    CAH     109.470    3.000
 8AC      HAIA   CAI    CAH     109.470    3.000
 8AC      CAI    CAH    HAH     109.470    3.000
 8AC      CAI    CAH    HAHA    109.470    3.000
 8AC      CAI    CAH    CAG     111.000    3.000
 8AC      HAH    CAH    HAHA    107.900    3.000
 8AC      HAH    CAH    CAG     109.470    3.000
 8AC      HAHA   CAH    CAG     109.470    3.000
 8AC      CAH    CAG    HAG     109.470    3.000
 8AC      CAH    CAG    HAGA    109.470    3.000
 8AC      CAH    CAG    CAF     111.000    3.000
 8AC      HAG    CAG    HAGA    107.900    3.000
 8AC      HAG    CAG    CAF     109.470    3.000
 8AC      HAGA   CAG    CAF     109.470    3.000
 8AC      CAG    CAF    HAF     109.470    3.000
 8AC      CAG    CAF    HAFA    109.470    3.000
 8AC      CAG    CAF    CAE     111.000    3.000
 8AC      HAF    CAF    HAFA    107.900    3.000
 8AC      HAF    CAF    CAE     109.470    3.000
 8AC      HAFA   CAF    CAE     109.470    3.000
 8AC      CAF    CAE    HAE     109.470    3.000
 8AC      CAF    CAE    HAEA    109.470    3.000
 8AC      CAF    CAE    CAD     111.000    3.000
 8AC      HAE    CAE    HAEA    107.900    3.000
 8AC      HAE    CAE    CAD     109.470    3.000
 8AC      HAEA   CAE    CAD     109.470    3.000
 8AC      CAE    CAD    HAD     109.470    3.000
 8AC      CAE    CAD    HADA    109.470    3.000
 8AC      CAE    CAD    NAA     109.470    3.000
 8AC      HAD    CAD    HADA    107.900    3.000
 8AC      HAD    CAD    NAA     109.470    3.000
 8AC      HADA   CAD    NAA     109.470    3.000
 8AC      CAD    NAA    HNAB    120.000    3.000
 8AC      CAD    NAA    HNAA    120.000    3.000
 8AC      HNAB   NAA    HNAA    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
 8AC      var_1    OAC    CAK    CAJ    CAI      179.998   20.000   3
 8AC      var_2    CAK    CAJ    CAI    CAH      179.994   20.000   3
 8AC      var_3    CAJ    CAI    CAH    CAG      180.000   20.000   3
 8AC      var_4    CAI    CAH    CAG    CAF      180.000   20.000   3
 8AC      var_5    CAH    CAG    CAF    CAE      179.960   20.000   3
 8AC      var_6    CAG    CAF    CAE    CAD      179.960   20.000   3
 8AC      var_7    CAF    CAE    CAD    NAA      179.985   20.000   3
 8AC      var_8    CAE    CAD    NAA    HNAA    -179.975   20.000   1
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
 8AC      plan-1    NAA       0.020
 8AC      plan-1    CAD       0.020
 8AC      plan-1    HNAA      0.020
 8AC      plan-1    HNAB      0.020
 8AC      plan-2    CAK       0.020
 8AC      plan-2    OAB       0.020
 8AC      plan-2    OAC       0.020
 8AC      plan-2    CAJ       0.020
# ------------------------------------------------------
