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
RGP      RGP 'GAMMA-GLUTAMYL PHOSPHATE            ' non-polymer        21  14 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_RGP
#
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
 RGP           O      O    OC       -0.500      0.000    0.000    0.000
 RGP           C      C    C         0.000     -0.751    0.841    0.541
 RGP           OXT    O    OC       -0.500     -0.433    1.349    1.640
 RGP           CA     C    CH1       0.000     -2.038    1.245   -0.131
 RGP           HA     H    H         0.000     -1.872    1.338   -1.213
 RGP           N      N    NH2       0.000     -2.490    2.534    0.409
 RGP           HN2    H    H         0.000     -1.904    3.052    1.054
 RGP           HN1    H    H         0.000     -3.390    2.915    0.140
 RGP           CB     C    CH2       0.000     -3.105    0.180    0.132
 RGP           HB1    H    H         0.000     -3.332    0.150    1.200
 RGP           HB2    H    H         0.000     -2.732   -0.795   -0.188
 RGP           CG     C    CH2       0.000     -4.374    0.525   -0.652
 RGP           HG1    H    H         0.000     -4.145    0.558   -1.719
 RGP           HG2    H    H         0.000     -4.745    1.501   -0.331
 RGP           CD     C    C         0.000     -5.424   -0.524   -0.393
 RGP           OE1    O    O        -0.500     -5.175   -1.485    0.368
 RGP           OE2    O    O2       -0.500     -6.546   -0.433   -0.940
 RGP           PA     P    P         0.000     -7.751   -1.547   -0.703
 RGP           OA1    O    OP       -0.666     -7.191   -2.914   -1.032
 RGP           OA2    O    OP       -0.666     -8.157   -1.505    0.754
 RGP           OA3    O    OP       -0.666     -8.959   -1.274   -1.572
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
 RGP      O      n/a    C      START
 RGP      C      O      CA     .
 RGP      OXT    C      .      .
 RGP      CA     C      CB     .
 RGP      HA     CA     .      .
 RGP      N      CA     HN1    .
 RGP      HN2    N      .      .
 RGP      HN1    N      .      .
 RGP      CB     CA     CG     .
 RGP      HB1    CB     .      .
 RGP      HB2    CB     .      .
 RGP      CG     CB     CD     .
 RGP      HG1    CG     .      .
 RGP      HG2    CG     .      .
 RGP      CD     CG     OE2    .
 RGP      OE1    CD     .      .
 RGP      OE2    CD     PA     .
 RGP      PA     OE2    OA3    .
 RGP      OA1    PA     .      .
 RGP      OA2    PA     .      .
 RGP      OA3    PA     .      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
 RGP      OA1    PA        deloc       1.510    0.020
 RGP      OA2    PA        deloc       1.510    0.020
 RGP      OA3    PA        deloc       1.510    0.020
 RGP      PA     OE2       single      1.610    0.020
 RGP      OE2    CD        deloc       1.454    0.020
 RGP      OE1    CD        deloc       1.220    0.020
 RGP      CD     CG        single      1.510    0.020
 RGP      CG     CB        single      1.524    0.020
 RGP      HG1    CG        single      1.092    0.020
 RGP      HG2    CG        single      1.092    0.020
 RGP      CB     CA        single      1.524    0.020
 RGP      HB1    CB        single      1.092    0.020
 RGP      HB2    CB        single      1.092    0.020
 RGP      CA     C         single      1.500    0.020
 RGP      N      CA        single      1.450    0.020
 RGP      HA     CA        single      1.099    0.020
 RGP      OXT    C         deloc       1.250    0.020
 RGP      C      O         deloc       1.250    0.020
 RGP      HN1    N         single      1.010    0.020
 RGP      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
 RGP      O      C      OXT     123.000    3.000
 RGP      O      C      CA      118.500    3.000
 RGP      OXT    C      CA      118.500    3.000
 RGP      C      CA     HA      108.810    3.000
 RGP      C      CA     N       109.470    3.000
 RGP      C      CA     CB      109.470    3.000
 RGP      HA     CA     N       109.470    3.000
 RGP      HA     CA     CB      108.340    3.000
 RGP      N      CA     CB      109.470    3.000
 RGP      CA     N      HN2     120.000    3.000
 RGP      CA     N      HN1     120.000    3.000
 RGP      HN2    N      HN1     120.000    3.000
 RGP      CA     CB     HB1     109.470    3.000
 RGP      CA     CB     HB2     109.470    3.000
 RGP      CA     CB     CG      111.000    3.000
 RGP      HB1    CB     HB2     107.900    3.000
 RGP      HB1    CB     CG      109.470    3.000
 RGP      HB2    CB     CG      109.470    3.000
 RGP      CB     CG     HG1     109.470    3.000
 RGP      CB     CG     HG2     109.470    3.000
 RGP      CB     CG     CD      109.470    3.000
 RGP      HG1    CG     HG2     107.900    3.000
 RGP      HG1    CG     CD      109.470    3.000
 RGP      HG2    CG     CD      109.470    3.000
 RGP      CG     CD     OE1     120.500    3.000
 RGP      CG     CD     OE2     120.000    3.000
 RGP      OE1    CD     OE2     119.000    3.000
 RGP      CD     OE2    PA      120.000    3.000
 RGP      OE2    PA     OA1     108.200    3.000
 RGP      OE2    PA     OA2     108.200    3.000
 RGP      OE2    PA     OA3     108.200    3.000
 RGP      OA1    PA     OA2     119.900    3.000
 RGP      OA1    PA     OA3     119.900    3.000
 RGP      OA2    PA     OA3     119.900    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
 RGP      var_1    O      C      CA     CB        80.064   20.000   3
 RGP      var_2    C      CA     N      HN1     -173.740   20.000   1
 RGP      var_3    C      CA     CB     CG      -175.013   20.000   3
 RGP      var_4    CA     CB     CG     CD       179.947   20.000   3
 RGP      var_5    CB     CG     CD     OE2      179.961   20.000   3
 RGP      var_6    CG     CD     OE2    PA      -179.976   20.000   1
 RGP      var_7    CD     OE2    PA     OA3     -174.855   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
 RGP      chir_01  CA     CB     C      N         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
 RGP      plan-1    CD        0.020
 RGP      plan-1    OE2       0.020
 RGP      plan-1    OE1       0.020
 RGP      plan-1    CG        0.020
 RGP      plan-2    C         0.020
 RGP      plan-2    CA        0.020
 RGP      plan-2    OXT       0.020
 RGP      plan-2    O         0.020
 RGP      plan-3    N         0.020
 RGP      plan-3    CA        0.020
 RGP      plan-3    HN1       0.020
 RGP      plan-3    HN2       0.020
# ------------------------------------------------------
