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
DGL      DGL 'D-GLUTAMIC ACID                     ' peptide            17  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DGL
#
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
 DGL           N      N    NH2       0.000      0.000    0.000    0.000
 DGL           HN1    H    H         0.000      0.368   -0.933    0.146
 DGL           HN2    H    H         0.000      0.596    0.802    0.169
 DGL           CA     C    CH1       0.000     -1.385    0.188   -0.452
 DGL           HA     H    H         0.000     -1.393    0.801   -1.364
 DGL           CB     C    CH2       0.000     -2.188    0.893    0.643
 DGL           HB2    H    H         0.000     -2.107    0.329    1.574
 DGL           HB3    H    H         0.000     -3.236    0.952    0.344
 DGL           CG     C    CH2       0.000     -1.634    2.305    0.851
 DGL           HG2    H    H         0.000     -1.715    2.868   -0.082
 DGL           HG3    H    H         0.000     -0.585    2.244    1.148
 DGL           CD     C    C         0.000     -2.425    3.001    1.929
 DGL           OE1    O    OC       -0.500     -3.369    2.405    2.495
 DGL           OE2    O    OC       -0.500     -2.136    4.173    2.258
 DGL           C      C    C         0.000     -2.005   -1.155   -0.743
 DGL           O      O    OC       -0.500     -1.509   -2.192   -0.250
 DGL           OXT    O    OC       -0.500     -3.015   -1.232   -1.477
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
 DGL      N      n/a    CA     START
 DGL      HN1    N      .      .
 DGL      HN2    N      .      .
 DGL      CA     N      C      .
 DGL      HA     CA     .      .
 DGL      CB     CA     CG     .
 DGL      HB2    CB     .      .
 DGL      HB3    CB     .      .
 DGL      CG     CB     CD     .
 DGL      HG2    CG     .      .
 DGL      HG3    CG     .      .
 DGL      CD     CG     OE2    .
 DGL      OE1    CD     .      .
 DGL      OE2    CD     .      .
 DGL      C      CA     .      END
 DGL      O      C      .      .
 DGL      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
 DGL      CA     N         single      1.450    0.020
 DGL      C      CA        single      1.500    0.020
 DGL      CB     CA        single      1.524    0.020
 DGL      HA     CA        single      1.099    0.020
 DGL      O      C         deloc       1.250    0.020
 DGL      OXT    C         deloc       1.250    0.020
 DGL      CG     CB        single      1.524    0.020
 DGL      HB2    CB        single      1.092    0.020
 DGL      HB3    CB        single      1.092    0.020
 DGL      CD     CG        single      1.510    0.020
 DGL      HG2    CG        single      1.092    0.020
 DGL      HG3    CG        single      1.092    0.020
 DGL      OE1    CD        deloc       1.250    0.020
 DGL      OE2    CD        deloc       1.250    0.020
 DGL      HN1    N         single      1.010    0.020
 DGL      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
 DGL      HN1    N      HN2     120.000    3.000
 DGL      HN1    N      CA      120.000    3.000
 DGL      HN2    N      CA      120.000    3.000
 DGL      N      CA     HA      109.470    3.000
 DGL      N      CA     CB      109.470    3.000
 DGL      N      CA     C       109.470    3.000
 DGL      HA     CA     CB      108.340    3.000
 DGL      HA     CA     C       108.810    3.000
 DGL      CB     CA     C       109.470    3.000
 DGL      CA     CB     HB2     109.470    3.000
 DGL      CA     CB     HB3     109.470    3.000
 DGL      CA     CB     CG      111.000    3.000
 DGL      HB2    CB     HB3     107.900    3.000
 DGL      HB2    CB     CG      109.470    3.000
 DGL      HB3    CB     CG      109.470    3.000
 DGL      CB     CG     HG2     109.470    3.000
 DGL      CB     CG     HG3     109.470    3.000
 DGL      CB     CG     CD      109.470    3.000
 DGL      HG2    CG     HG3     107.900    3.000
 DGL      HG2    CG     CD      109.470    3.000
 DGL      HG3    CG     CD      109.470    3.000
 DGL      CG     CD     OE1     118.500    3.000
 DGL      CG     CD     OE2     118.500    3.000
 DGL      OE1    CD     OE2     123.000    3.000
 DGL      CA     C      O       118.500    3.000
 DGL      CA     C      OXT     118.500    3.000
 DGL      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
 DGL      var_1    HN2    N      CA     C        175.000   20.000   1
 DGL      var_2    N      CA     CB     CG        65.029   20.000   3
 DGL      var_3    CA     CB     CG     CD       179.999   20.000   3
 DGL      var_4    CB     CG     CD     OE2     -179.984   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
 DGL      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
 DGL      plan-1    N         0.020
 DGL      plan-1    CA        0.020
 DGL      plan-1    HN1       0.020
 DGL      plan-1    HN2       0.020
 DGL      plan-2    C         0.020
 DGL      plan-2    CA        0.020
 DGL      plan-2    O         0.020
 DGL      plan-2    OXT       0.020
 DGL      plan-3    CD        0.020
 DGL      plan-3    CG        0.020
 DGL      plan-3    OE1       0.020
 DGL      plan-3    OE2       0.020
# ------------------------------------------------------
