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
PHD      PHD 'ASPARTYL PHOSPHATE                  ' peptide            18  13 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_PHD
#
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
 PHD           N      N    NH2       0.000      0.000    0.000    0.000
 PHD           HN1    H    H         0.000      0.902   -0.367    0.280
 PHD           HN2    H    H         0.000     -0.190    0.154   -0.983
 PHD           CA     C    CH1       0.000     -1.023    0.306    1.009
 PHD           HA     H    H         0.000     -1.216    1.388    1.017
 PHD           CB     C    CH2       0.000     -2.313   -0.438    0.669
 PHD           HB2    H    H         0.000     -3.073   -0.210    1.420
 PHD           HB3    H    H         0.000     -2.121   -1.513    0.662
 PHD           CG     C    C         0.000     -2.801   -0.006   -0.689
 PHD           OD2    O    O        -0.500     -2.159    0.845   -1.343
 PHD           OD1    O    O2       -0.500     -3.850   -0.496   -1.163
 PHD           P      P    P         0.000     -4.448   -0.068   -2.648
 PHD           OP1    O    OP       -0.666     -3.396   -0.385   -3.687
 PHD           OP2    O    OP       -0.666     -5.726   -0.807   -2.984
 PHD           OP3    O    OP       -0.666     -4.715    1.421   -2.636
 PHD           C      C    C         0.000     -0.533   -0.125    2.367
 PHD           O      O    OC       -0.500      0.247   -1.098    2.470
 PHD           OXT    O    OC       -0.500     -0.909    0.486    3.391
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
 PHD      N      n/a    CA     START
 PHD      HN1    N      .      .
 PHD      HN2    N      .      .
 PHD      CA     N      C      .
 PHD      HA     CA     .      .
 PHD      CB     CA     CG     .
 PHD      HB2    CB     .      .
 PHD      HB3    CB     .      .
 PHD      CG     CB     OD1    .
 PHD      OD2    CG     .      .
 PHD      OD1    CG     P      .
 PHD      P      OD1    OP3    .
 PHD      OP1    P      .      .
 PHD      OP2    P      .      .
 PHD      OP3    P      .      .
 PHD      C      CA     .      END
 PHD      O      C      .      .
 PHD      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
 PHD      CA     N         single      1.450    0.020
 PHD      C      CA        single      1.500    0.020
 PHD      CB     CA        single      1.524    0.020
 PHD      HA     CA        single      1.099    0.020
 PHD      O      C         deloc       1.250    0.020
 PHD      OXT    C         deloc       1.250    0.020
 PHD      CG     CB        single      1.510    0.020
 PHD      HB2    CB        single      1.092    0.020
 PHD      HB3    CB        single      1.092    0.020
 PHD      OD1    CG        deloc       1.454    0.020
 PHD      OD2    CG        deloc       1.220    0.020
 PHD      P      OD1       single      1.610    0.020
 PHD      OP1    P         deloc       1.510    0.020
 PHD      OP2    P         deloc       1.510    0.020
 PHD      OP3    P         deloc       1.510    0.020
 PHD      HN1    N         single      1.010    0.020
 PHD      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
 PHD      HN1    N      HN2     120.000    3.000
 PHD      HN1    N      CA      120.000    3.000
 PHD      HN2    N      CA      120.000    3.000
 PHD      N      CA     HA      109.470    3.000
 PHD      N      CA     CB      109.470    3.000
 PHD      N      CA     C       109.470    3.000
 PHD      HA     CA     CB      108.340    3.000
 PHD      HA     CA     C       108.810    3.000
 PHD      CB     CA     C       109.470    3.000
 PHD      CA     CB     HB2     109.470    3.000
 PHD      CA     CB     HB3     109.470    3.000
 PHD      CA     CB     CG      109.470    3.000
 PHD      HB2    CB     HB3     107.900    3.000
 PHD      HB2    CB     CG      109.470    3.000
 PHD      HB3    CB     CG      109.470    3.000
 PHD      CB     CG     OD2     120.500    3.000
 PHD      CB     CG     OD1     120.000    3.000
 PHD      OD2    CG     OD1     119.000    3.000
 PHD      CG     OD1    P       120.000    3.000
 PHD      OD1    P      OP1     108.200    3.000
 PHD      OD1    P      OP2     108.200    3.000
 PHD      OD1    P      OP3     108.200    3.000
 PHD      OP1    P      OP2     119.900    3.000
 PHD      OP1    P      OP3     119.900    3.000
 PHD      OP2    P      OP3     119.900    3.000
 PHD      CA     C      O       118.500    3.000
 PHD      CA     C      OXT     118.500    3.000
 PHD      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
 PHD      var_1    HN2    N      CA     C        175.000   20.000   1
 PHD      var_2    N      CA     CB     CG       -59.935   20.000   3
 PHD      var_3    CA     CB     CG     OD1      179.992   20.000   3
 PHD      var_4    CB     CG     OD1    P        179.946   20.000   1
 PHD      var_5    CG     OD1    P      OP3      -59.167   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
 PHD      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
 PHD      plan-1    N         0.020
 PHD      plan-1    CA        0.020
 PHD      plan-1    HN1       0.020
 PHD      plan-1    HN2       0.020
 PHD      plan-2    C         0.020
 PHD      plan-2    CA        0.020
 PHD      plan-2    O         0.020
 PHD      plan-2    OXT       0.020
 PHD      plan-3    CG        0.020
 PHD      plan-3    CB        0.020
 PHD      plan-3    OD1       0.020
 PHD      plan-3    OD2       0.020
# ------------------------------------------------------
