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
SYM      SYM '2S,4R-4-METHYLGLUTAMATE             ' non-polymer        20  11 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_SYM
#
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
 SYM           OT2    O    OC       -0.500      0.000    0.000    0.000
 SYM           C      C    C         0.000     -1.121   -0.543   -0.113
 SYM           OT1    O    OC       -0.500     -1.226   -1.644   -0.699
 SYM           CA     C    CH1       0.000     -2.345    0.128    0.455
 SYM           HA     H    H         0.000     -2.997   -0.627    0.915
 SYM           N      N    NH2       0.000     -1.938    1.108    1.471
 SYM           HN2    H    H         0.000     -2.250    2.070    1.408
 SYM           HN1    H    H         0.000     -1.343    0.829    2.242
 SYM           CB     C    CH2       0.000     -3.103    0.840   -0.666
 SYM           HB1    H    H         0.000     -3.320    0.129   -1.466
 SYM           HB2    H    H         0.000     -2.490    1.653   -1.060
 SYM           CG1    C    CH1       0.000     -4.413    1.407   -0.117
 SYM           HG1    H    H         0.000     -4.202    2.028    0.765
 SYM           CG2    C    CH3       0.000     -5.092    2.259   -1.191
 SYM           HG23   H    H         0.000     -4.443    3.045   -1.481
 SYM           HG22   H    H         0.000     -5.313    1.657   -2.034
 SYM           HG21   H    H         0.000     -5.989    2.668   -0.804
 SYM           CD     C    C         0.000     -5.326    0.273    0.275
 SYM           OE1    O    OC       -0.500     -6.456    0.516    0.751
 SYM           OE2    O    OC       -0.500     -4.952   -0.912    0.124
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
 SYM      OT2    n/a    C      START
 SYM      C      OT2    CA     .
 SYM      OT1    C      .      .
 SYM      CA     C      CB     .
 SYM      HA     CA     .      .
 SYM      N      CA     HN1    .
 SYM      HN2    N      .      .
 SYM      HN1    N      .      .
 SYM      CB     CA     CG1    .
 SYM      HB1    CB     .      .
 SYM      HB2    CB     .      .
 SYM      CG1    CB     CD     .
 SYM      HG1    CG1    .      .
 SYM      CG2    CG1    HG21   .
 SYM      HG23   CG2    .      .
 SYM      HG22   CG2    .      .
 SYM      HG21   CG2    .      .
 SYM      CD     CG1    OE2    .
 SYM      OE1    CD     .      .
 SYM      OE2    CD     .      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
 SYM      CG1    CB        single      1.524    0.020
 SYM      CB     CA        single      1.524    0.020
 SYM      HB1    CB        single      1.092    0.020
 SYM      HB2    CB        single      1.092    0.020
 SYM      CG2    CG1       single      1.524    0.020
 SYM      CD     CG1       single      1.500    0.020
 SYM      HG1    CG1       single      1.099    0.020
 SYM      HG21   CG2       single      1.059    0.020
 SYM      HG22   CG2       single      1.059    0.020
 SYM      HG23   CG2       single      1.059    0.020
 SYM      OE1    CD        deloc       1.250    0.020
 SYM      OE2    CD        deloc       1.250    0.020
 SYM      OT1    C         deloc       1.250    0.020
 SYM      C      OT2       deloc       1.250    0.020
 SYM      CA     C         single      1.500    0.020
 SYM      N      CA        single      1.450    0.020
 SYM      HN1    N         single      1.010    0.020
 SYM      HN2    N         single      1.010    0.020
 SYM      HA     CA        single      1.099    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
 SYM      OT2    C      OT1     123.000    3.000
 SYM      OT2    C      CA      118.500    3.000
 SYM      OT1    C      CA      118.500    3.000
 SYM      C      CA     HA      108.810    3.000
 SYM      C      CA     N       109.470    3.000
 SYM      C      CA     CB      109.470    3.000
 SYM      HA     CA     N       109.470    3.000
 SYM      HA     CA     CB      108.340    3.000
 SYM      N      CA     CB      109.470    3.000
 SYM      CA     N      HN2     120.000    3.000
 SYM      CA     N      HN1     120.000    3.000
 SYM      HN2    N      HN1     120.000    3.000
 SYM      CA     CB     HB1     109.470    3.000
 SYM      CA     CB     HB2     109.470    3.000
 SYM      CA     CB     CG1     111.000    3.000
 SYM      HB1    CB     HB2     107.900    3.000
 SYM      HB1    CB     CG1     109.470    3.000
 SYM      HB2    CB     CG1     109.470    3.000
 SYM      CB     CG1    HG1     108.340    3.000
 SYM      CB     CG1    CG2     111.000    3.000
 SYM      CB     CG1    CD      109.470    3.000
 SYM      HG1    CG1    CG2     108.340    3.000
 SYM      HG1    CG1    CD      108.810    3.000
 SYM      CG2    CG1    CD      109.470    3.000
 SYM      CG1    CG2    HG23    109.470    3.000
 SYM      CG1    CG2    HG22    109.470    3.000
 SYM      CG1    CG2    HG21    109.470    3.000
 SYM      HG23   CG2    HG22    109.470    3.000
 SYM      HG23   CG2    HG21    109.470    3.000
 SYM      HG22   CG2    HG21    109.470    3.000
 SYM      CG1    CD     OE1     118.500    3.000
 SYM      CG1    CD     OE2     118.500    3.000
 SYM      OE1    CD     OE2     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
 SYM      var_1    OT2    C      CA     CB       100.011   20.000   3
 SYM      var_2    C      CA     N      HN1      -53.772   20.000   1
 SYM      var_3    C      CA     CB     CG1      174.584   20.000   3
 SYM      var_4    CA     CB     CG1    CD       -66.694   20.000   3
 SYM      var_5    CB     CG1    CG2    HG21    -178.863   20.000   3
 SYM      var_6    CB     CG1    CD     OE2        0.017   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
 SYM      chir_01  CG1    CB     CG2    CD        negativ
 SYM      chir_02  CA     CB     C      N         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
 SYM      plan-1    CD        0.020
 SYM      plan-1    CG1       0.020
 SYM      plan-1    OE1       0.020
 SYM      plan-1    OE2       0.020
 SYM      plan-2    C         0.020
 SYM      plan-2    OT1       0.020
 SYM      plan-2    OT2       0.020
 SYM      plan-2    CA        0.020
 SYM      plan-3    N         0.020
 SYM      plan-3    CA        0.020
 SYM      plan-3    HN1       0.020
 SYM      plan-3    HN2       0.020
# ------------------------------------------------------
