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
FGA      FGA '5-oxo-D-norvaline                   ' non-polymer        17   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_FGA
#
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
 FGA           OXT    O    OC       -0.500      0.000    0.000    0.000
 FGA           "C4'"  C    C         0.000     -0.852   -0.860   -0.314
 FGA           "O1'"  O    OC       -0.500     -0.605   -1.682   -1.224
 FGA           C4     C    CH1       0.000     -2.177   -0.906    0.402
 FGA           H4     H    H         0.000     -2.021   -0.720    1.474
 FGA           N4     N    NH2       0.000     -2.788   -2.229    0.218
 FGA           HN4A   H    H         0.000     -2.342   -2.921   -0.374
 FGA           HN4    H    H         0.000     -3.658   -2.460    0.683
 FGA           C3     C    CH2       0.000     -3.105    0.167   -0.171
 FGA           H3     H    H         0.000     -3.331   -0.067   -1.213
 FGA           H3A    H    H         0.000     -2.612    1.140   -0.117
 FGA           C2     C    CH2       0.000     -4.403    0.205    0.638
 FGA           H2     H    H         0.000     -4.174    0.439    1.680
 FGA           H2A    H    H         0.000     -4.894   -0.768    0.584
 FGA           C1     C    C1        0.000     -5.316    1.262    0.074
 FGA           H1     H    H         0.000     -4.967    2.276   -0.028
 FGA           O1     O    O         0.000     -6.438    0.973   -0.264
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
 FGA      OXT    n/a    "C4'"  START
 FGA      "C4'"  OXT    C4     .
 FGA      "O1'"  "C4'"  .      .
 FGA      C4     "C4'"  C3     .
 FGA      H4     C4     .      .
 FGA      N4     C4     HN4    .
 FGA      HN4A   N4     .      .
 FGA      HN4    N4     .      .
 FGA      C3     C4     C2     .
 FGA      H3     C3     .      .
 FGA      H3A    C3     .      .
 FGA      C2     C3     C1     .
 FGA      H2     C2     .      .
 FGA      H2A    C2     .      .
 FGA      C1     C2     O1     .
 FGA      H1     C1     .      .
 FGA      O1     C1     .      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
 FGA      C1     C2        single      1.510    0.020
 FGA      O1     C1        double      1.220    0.020
 FGA      H1     C1        single      1.077    0.020
 FGA      C2     C3        single      1.524    0.020
 FGA      H2     C2        single      1.092    0.020
 FGA      H2A    C2        single      1.092    0.020
 FGA      C3     C4        single      1.524    0.020
 FGA      H3     C3        single      1.092    0.020
 FGA      H3A    C3        single      1.092    0.020
 FGA      N4     C4        single      1.450    0.020
 FGA      C4     "C4'"     single      1.500    0.020
 FGA      H4     C4        single      1.099    0.020
 FGA      "O1'"  "C4'"     deloc       1.250    0.020
 FGA      "C4'"  OXT       deloc       1.250    0.020
 FGA      HN4    N4        single      1.010    0.020
 FGA      HN4A   N4        single      1.010    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
 FGA      OXT    "C4'"  "O1'"   123.000    3.000
 FGA      OXT    "C4'"  C4      118.500    3.000
 FGA      "O1'"  "C4'"  C4      118.500    3.000
 FGA      "C4'"  C4     H4      108.810    3.000
 FGA      "C4'"  C4     N4      109.470    3.000
 FGA      "C4'"  C4     C3      109.470    3.000
 FGA      H4     C4     N4      109.470    3.000
 FGA      H4     C4     C3      108.340    3.000
 FGA      N4     C4     C3      109.470    3.000
 FGA      C4     N4     HN4A    120.000    3.000
 FGA      C4     N4     HN4     120.000    3.000
 FGA      HN4A   N4     HN4     120.000    3.000
 FGA      C4     C3     H3      109.470    3.000
 FGA      C4     C3     H3A     109.470    3.000
 FGA      C4     C3     C2      111.000    3.000
 FGA      H3     C3     H3A     107.900    3.000
 FGA      H3     C3     C2      109.470    3.000
 FGA      H3A    C3     C2      109.470    3.000
 FGA      C3     C2     H2      109.470    3.000
 FGA      C3     C2     H2A     109.470    3.000
 FGA      C3     C2     C1      109.470    3.000
 FGA      H2     C2     H2A     107.900    3.000
 FGA      H2     C2     C1      109.470    3.000
 FGA      H2A    C2     C1      109.470    3.000
 FGA      C2     C1     H1      120.000    3.000
 FGA      C2     C1     O1      120.500    3.000
 FGA      H1     C1     O1      123.000    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
 FGA      var_1    OXT    "C4'"  C4     C3        79.965   20.000   3
 FGA      var_2    "C4'"  C4     N4     HN4      176.013   20.000   1
 FGA      var_3    "C4'"  C4     C3     C2      -174.941   20.000   3
 FGA      var_4    C4     C3     C2     C1       179.991   20.000   3
 FGA      var_5    C3     C2     C1     O1       124.949   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
 FGA      chir_01  C4     C3     "C4'"  N4        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
 FGA      plan-1    C1        0.020
 FGA      plan-1    C2        0.020
 FGA      plan-1    O1        0.020
 FGA      plan-1    H1        0.020
 FGA      plan-2    "C4'"     0.020
 FGA      plan-2    C4        0.020
 FGA      plan-2    "O1'"     0.020
 FGA      plan-2    OXT       0.020
 FGA      plan-3    N4        0.020
 FGA      plan-3    C4        0.020
 FGA      plan-3    HN4       0.020
 FGA      plan-3    HN4A      0.020
# ------------------------------------------------------
