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
FGL      FGL '2-AMINOPROPANEDIOIC ACID            ' peptide            11   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_FGL
#
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
 FGL           N      N    NH2       0.000      0.000    0.000    0.000
 FGL           HN1    H    H         0.000      0.389   -0.599   -0.718
 FGL           HN2    H    H         0.000      0.611    0.385    0.711
 FGL           CA     C    CH1       0.000     -1.436    0.308    0.011
 FGL           HA     H    H         0.000     -1.577    1.398    0.008
 FGL           CB     C    C         0.000     -2.065   -0.276    1.247
 FGL           OG1    O    OC       -0.500     -3.061    0.277    1.764
 FGL           OG2    O    OC       -0.500     -1.594   -1.317    1.758
 FGL           C      C    C         0.000     -2.085   -0.285   -1.213
 FGL           O      O    OC       -0.500     -1.621   -1.329   -1.724
 FGL           OXT    O    OC       -0.500     -3.089    0.266   -1.717
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
 FGL      N      n/a    CA     START
 FGL      HN1    N      .      .
 FGL      HN2    N      .      .
 FGL      CA     N      C      .
 FGL      HA     CA     .      .
 FGL      CB     CA     OG2    .
 FGL      OG1    CB     .      .
 FGL      OG2    CB     .      .
 FGL      C      CA     .      END
 FGL      O      C      .      .
 FGL      OXT    C      .      .
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
 FGL      CA     N         single      1.450    0.020
 FGL      C      CA        single      1.500    0.020
 FGL      CB     CA        single      1.500    0.020
 FGL      HA     CA        single      1.099    0.020
 FGL      O      C         deloc       1.250    0.020
 FGL      OXT    C         deloc       1.250    0.020
 FGL      OG1    CB        deloc       1.250    0.020
 FGL      OG2    CB        deloc       1.250    0.020
 FGL      HN1    N         single      1.010    0.020
 FGL      HN2    N         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
 FGL      HN1    N      HN2     120.000    3.000
 FGL      HN1    N      CA      120.000    3.000
 FGL      HN2    N      CA      120.000    3.000
 FGL      N      CA     HA      109.470    3.000
 FGL      N      CA     CB      109.470    3.000
 FGL      N      CA     C       109.470    3.000
 FGL      HA     CA     CB      108.810    3.000
 FGL      HA     CA     C       108.810    3.000
 FGL      CB     CA     C       111.000    3.000
 FGL      CA     CB     OG1     118.500    3.000
 FGL      CA     CB     OG2     118.500    3.000
 FGL      OG1    CB     OG2     123.000    3.000
 FGL      CA     C      O       118.500    3.000
 FGL      CA     C      OXT     118.500    3.000
 FGL      O      C      OXT     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
 FGL      var_1    HN2    N      CA     C        175.000   20.000   1
 FGL      var_2    N      CA     CB     OG2      -30.063   20.000   3
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
 FGL      chir_01  CA     N      C      CB        negativ
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
 FGL      plan-1    N         0.020
 FGL      plan-1    CA        0.020
 FGL      plan-1    HN1       0.020
 FGL      plan-1    HN2       0.020
 FGL      plan-2    C         0.020
 FGL      plan-2    CA        0.020
 FGL      plan-2    O         0.020
 FGL      plan-2    OXT       0.020
 FGL      plan-3    CB        0.020
 FGL      plan-3    CA        0.020
 FGL      plan-3    OG1       0.020
 FGL      plan-3    OG2       0.020
# ------------------------------------------------------
