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
GMA      GMA '4-AMIDO-4-CARBAMOYL-BUTYRIC ACID    ' non-polymer        19  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_GMA
#
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
 GMA           OE2    O    OC       -0.500      0.000    0.000    0.000
 GMA           CD     C    C         0.000     -1.234   -0.191   -0.068
 GMA           OE1    O    OC       -0.500     -1.717   -0.818   -1.037
 GMA           CG     C    CH2       0.000     -2.140    0.331    1.016
 GMA           HG2    H    H         0.000     -2.043    1.417    1.077
 GMA           HG3    H    H         0.000     -1.855   -0.113    1.972
 GMA           CB     C    CH2       0.000     -3.589   -0.035    0.693
 GMA           HB2    H    H         0.000     -3.683   -1.121    0.631
 GMA           HB3    H    H         0.000     -3.871    0.409   -0.264
 GMA           CA     C    CH1       0.000     -4.508    0.496    1.792
 GMA           HA     H    H         0.000     -4.413    1.589    1.853
 GMA           N      N    NH2       0.000     -4.128   -0.101    3.079
 GMA           H2     H    H         0.000     -4.819   -0.578    3.647
 GMA           H      H    H         0.000     -3.171   -0.041    3.409
 GMA           C      C    C         0.000     -5.935    0.133    1.474
 GMA           O      O    O         0.000     -6.399   -0.913    1.874
 GMA           N2     N    NH2       0.000     -6.697    0.972    0.745
 GMA           HN1    H    H         0.000     -6.314    1.848    0.409
 GMA           HN2A   H    H         0.000     -7.657    0.733    0.529
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
 GMA      OE2    n/a    CD     START
 GMA      CD     OE2    CG     .
 GMA      OE1    CD     .      .
 GMA      CG     CD     CB     .
 GMA      HG2    CG     .      .
 GMA      HG3    CG     .      .
 GMA      CB     CG     CA     .
 GMA      HB2    CB     .      .
 GMA      HB3    CB     .      .
 GMA      CA     CB     C      .
 GMA      HA     CA     .      .
 GMA      N      CA     H      .
 GMA      H2     N      .      .
 GMA      H      N      .      .
 GMA      C      CA     N2     .
 GMA      O      C      .      .
 GMA      N2     C      HN2A   .
 GMA      HN1    N2     .      .
 GMA      HN2A   N2     .      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
 GMA      N      CA        single      1.450    0.020
 GMA      H      N         single      1.010    0.020
 GMA      H2     N         single      1.010    0.020
 GMA      C      CA        single      1.500    0.020
 GMA      CA     CB        single      1.524    0.020
 GMA      HA     CA        single      1.099    0.020
 GMA      O      C         double      1.220    0.020
 GMA      N2     C         single      1.332    0.020
 GMA      CB     CG        single      1.524    0.020
 GMA      HB2    CB        single      1.092    0.020
 GMA      HB3    CB        single      1.092    0.020
 GMA      CG     CD        single      1.510    0.020
 GMA      HG2    CG        single      1.092    0.020
 GMA      HG3    CG        single      1.092    0.020
 GMA      OE1    CD        deloc       1.250    0.020
 GMA      CD     OE2       deloc       1.250    0.020
 GMA      HN2A   N2        single      1.010    0.020
 GMA      HN1    N2        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
 GMA      OE2    CD     OE1     123.000    3.000
 GMA      OE2    CD     CG      118.500    3.000
 GMA      OE1    CD     CG      118.500    3.000
 GMA      CD     CG     HG2     109.470    3.000
 GMA      CD     CG     HG3     109.470    3.000
 GMA      CD     CG     CB      109.470    3.000
 GMA      HG2    CG     HG3     107.900    3.000
 GMA      HG2    CG     CB      109.470    3.000
 GMA      HG3    CG     CB      109.470    3.000
 GMA      CG     CB     HB2     109.470    3.000
 GMA      CG     CB     HB3     109.470    3.000
 GMA      CG     CB     CA      111.000    3.000
 GMA      HB2    CB     HB3     107.900    3.000
 GMA      HB2    CB     CA      109.470    3.000
 GMA      HB3    CB     CA      109.470    3.000
 GMA      CB     CA     HA      108.340    3.000
 GMA      CB     CA     N       109.470    3.000
 GMA      CB     CA     C       109.470    3.000
 GMA      HA     CA     N       109.470    3.000
 GMA      HA     CA     C       108.810    3.000
 GMA      N      CA     C       109.470    3.000
 GMA      CA     N      H2      120.000    3.000
 GMA      CA     N      H       120.000    3.000
 GMA      H2     N      H       120.000    3.000
 GMA      CA     C      O       120.500    3.000
 GMA      CA     C      N2      120.000    3.000
 GMA      O      C      N2      123.000    3.000
 GMA      C      N2     HN1     120.000    3.000
 GMA      C      N2     HN2A    120.000    3.000
 GMA      HN1    N2     HN2A    120.000    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
 GMA      var_1    OE2    CD     CG     CB       179.977   20.000   3
 GMA      var_2    CD     CG     CB     CA      -179.983   20.000   3
 GMA      var_3    CG     CB     CA     C       -179.930   20.000   3
 GMA      var_4    CB     CA     N      H         53.721   20.000   1
 GMA      var_5    CB     CA     C      N2       -90.005   20.000   3
 GMA      CONST_1  CA     C      N2     HN2A     180.000    0.000   0
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
 GMA      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
 GMA      plan-1    N         0.020
 GMA      plan-1    CA        0.020
 GMA      plan-1    H         0.020
 GMA      plan-1    H2        0.020
 GMA      plan-2    C         0.020
 GMA      plan-2    CA        0.020
 GMA      plan-2    O         0.020
 GMA      plan-2    N2        0.020
 GMA      plan-2    HN1       0.020
 GMA      plan-2    HN2A      0.020
 GMA      plan-3    CD        0.020
 GMA      plan-3    CG        0.020
 GMA      plan-3    OE1       0.020
 GMA      plan-3    OE2       0.020
 GMA      plan-4    N2        0.020
 GMA      plan-4    C         0.020
 GMA      plan-4    HN2A      0.020
 GMA      plan-4    HN1       0.020
# ------------------------------------------------------
