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
GLQ      GLQ '4-AMINO-5-OXO-PENTANOIC ACID        ' non-polymer        17   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_GLQ
#
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
 GLQ           OE2    O    OC       -0.500      0.000    0.000    0.000
 GLQ           CD     C    C         0.000     -1.191   -0.377    0.060
 GLQ           OE1    O    OC       -0.500     -1.462   -1.540    0.434
 GLQ           CG     C    CH2       0.000     -2.301    0.570   -0.316
 GLQ           HG1    H    H         0.000     -2.174    0.883   -1.355
 GLQ           HG2    H    H         0.000     -2.267    1.446    0.334
 GLQ           CB     C    CH2       0.000     -3.650   -0.135   -0.156
 GLQ           HB1    H    H         0.000     -3.774   -0.449    0.882
 GLQ           HB2    H    H         0.000     -3.681   -1.012   -0.806
 GLQ           CA     C    CH1       0.000     -4.777    0.827   -0.539
 GLQ           HA     H    H         0.000     -4.601    1.211   -1.554
 GLQ           N      N    NH2       0.000     -4.808    1.947    0.410
 GLQ           H2     H    H         0.000     -4.086    2.041    1.115
 GLQ           H      H    H         0.000     -5.552    2.634    0.366
 GLQ           C      C    C1        0.000     -6.095    0.097   -0.499
 GLQ           HXT    H    H         0.000     -6.257   -0.758   -1.133
 GLQ           O      O    O         0.000     -6.970    0.472    0.244
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
 GLQ      OE2    n/a    CD     START
 GLQ      CD     OE2    CG     .
 GLQ      OE1    CD     .      .
 GLQ      CG     CD     CB     .
 GLQ      HG1    CG     .      .
 GLQ      HG2    CG     .      .
 GLQ      CB     CG     CA     .
 GLQ      HB1    CB     .      .
 GLQ      HB2    CB     .      .
 GLQ      CA     CB     C      .
 GLQ      HA     CA     .      .
 GLQ      N      CA     H      .
 GLQ      H2     N      .      .
 GLQ      H      N      .      .
 GLQ      C      CA     O      .
 GLQ      HXT    C      .      .
 GLQ      O      C      .      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
 GLQ      N      CA        single      1.450    0.020
 GLQ      H      N         single      1.010    0.020
 GLQ      H2     N         single      1.010    0.020
 GLQ      C      CA        single      1.510    0.020
 GLQ      CA     CB        single      1.524    0.020
 GLQ      HA     CA        single      1.099    0.020
 GLQ      O      C         double      1.220    0.020
 GLQ      HXT    C         single      1.077    0.020
 GLQ      CB     CG        single      1.524    0.020
 GLQ      HB1    CB        single      1.092    0.020
 GLQ      HB2    CB        single      1.092    0.020
 GLQ      CG     CD        single      1.510    0.020
 GLQ      HG1    CG        single      1.092    0.020
 GLQ      HG2    CG        single      1.092    0.020
 GLQ      OE1    CD        deloc       1.250    0.020
 GLQ      CD     OE2       deloc       1.250    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
 GLQ      OE2    CD     OE1     123.000    3.000
 GLQ      OE2    CD     CG      118.500    3.000
 GLQ      OE1    CD     CG      118.500    3.000
 GLQ      CD     CG     HG1     109.470    3.000
 GLQ      CD     CG     HG2     109.470    3.000
 GLQ      CD     CG     CB      109.470    3.000
 GLQ      HG1    CG     HG2     107.900    3.000
 GLQ      HG1    CG     CB      109.470    3.000
 GLQ      HG2    CG     CB      109.470    3.000
 GLQ      CG     CB     HB1     109.470    3.000
 GLQ      CG     CB     HB2     109.470    3.000
 GLQ      CG     CB     CA      111.000    3.000
 GLQ      HB1    CB     HB2     107.900    3.000
 GLQ      HB1    CB     CA      109.470    3.000
 GLQ      HB2    CB     CA      109.470    3.000
 GLQ      CB     CA     HA      108.340    3.000
 GLQ      CB     CA     N       109.470    3.000
 GLQ      CB     CA     C       109.470    3.000
 GLQ      HA     CA     N       109.470    3.000
 GLQ      HA     CA     C       108.810    3.000
 GLQ      N      CA     C       109.470    3.000
 GLQ      CA     N      H2      120.000    3.000
 GLQ      CA     N      H       120.000    3.000
 GLQ      H2     N      H       120.000    3.000
 GLQ      CA     C      HXT     120.000    3.000
 GLQ      CA     C      O       120.500    3.000
 GLQ      HXT    C      O       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
 GLQ      var_1    OE2    CD     CG     CB       179.996   20.000   3
 GLQ      var_2    CD     CG     CB     CA      -179.980   20.000   3
 GLQ      var_3    CG     CB     CA     C        175.019   20.000   3
 GLQ      var_4    CB     CA     N      H       -173.762   20.000   1
 GLQ      var_5    CB     CA     C      O        119.971   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
 GLQ      chir_01  CA     N      C      CB        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
 GLQ      plan-1    N         0.020
 GLQ      plan-1    CA        0.020
 GLQ      plan-1    H         0.020
 GLQ      plan-1    H2        0.020
 GLQ      plan-2    C         0.020
 GLQ      plan-2    CA        0.020
 GLQ      plan-2    O         0.020
 GLQ      plan-2    HXT       0.020
 GLQ      plan-3    CD        0.020
 GLQ      plan-3    CG        0.020
 GLQ      plan-3    OE1       0.020
 GLQ      plan-3    OE2       0.020
# ------------------------------------------------------
