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
PGL      PGL '(aminomethyl)phosphonic acid        ' non-polymer        12   6 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_PGL
#
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
 PGL           O1     O    O         0.000      0.000    0.000    0.000
 PGL           P      P    P         0.000     -1.369    0.012   -0.563
 PGL           O3     O    OH1       0.000     -2.320   -0.944    0.317
 PGL           H6     H    H         0.000     -2.452   -0.762    1.258
 PGL           O2     O    OH1       0.000     -1.947    1.515   -0.536
 PGL           HO2    H    H         0.000     -2.836    1.698   -0.870
 PGL           C      C    CH2       0.000     -1.325   -0.590   -2.282
 PGL           H1     H    H         0.000     -2.319   -0.499   -2.725
 PGL           H2     H    H         0.000     -1.018   -1.638   -2.292
 PGL           N      N    NH2       0.000     -0.366    0.210   -3.058
 PGL           HN2    H    H         0.000     -0.662    0.687   -3.901
 PGL           HN1    H    H         0.000      0.598    0.289   -2.754
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
 PGL      O1     n/a    P      START
 PGL      P      O1     C      .
 PGL      O3     P      H6     .
 PGL      H6     O3     .      .
 PGL      O2     P      HO2    .
 PGL      HO2    O2     .      .
 PGL      C      P      N      .
 PGL      H1     C      .      .
 PGL      H2     C      .      .
 PGL      N      C      HN1    .
 PGL      HN2    N      .      .
 PGL      HN1    N      .      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
 PGL      N      C         single      1.450    0.020
 PGL      HN1    N         single      1.010    0.020
 PGL      HN2    N         single      1.010    0.020
 PGL      C      P         single      1.812    0.020
 PGL      H1     C         single      1.092    0.020
 PGL      H2     C         single      1.092    0.020
 PGL      P      O1        double      1.480    0.020
 PGL      O2     P         single      1.610    0.020
 PGL      O3     P         single      1.610    0.020
 PGL      HO2    O2        single      0.967    0.020
 PGL      H6     O3        single      0.967    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
 PGL      O1     P      O3      109.500    3.000
 PGL      O1     P      O2      109.500    3.000
 PGL      O1     P      C       109.500    3.000
 PGL      O3     P      O2      109.500    3.000
 PGL      O3     P      C       109.500    3.000
 PGL      O2     P      C       109.500    3.000
 PGL      P      O3     H6      120.000    3.000
 PGL      P      O2     HO2     120.000    3.000
 PGL      P      C      H1      109.500    3.000
 PGL      P      C      H2      109.500    3.000
 PGL      P      C      N       109.500    3.000
 PGL      H1     C      H2      107.900    3.000
 PGL      H1     C      N       109.470    3.000
 PGL      H2     C      N       109.470    3.000
 PGL      C      N      HN2     120.000    3.000
 PGL      C      N      HN1     120.000    3.000
 PGL      HN2    N      HN1     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
 PGL      var_1    O1     P      O3     H6        59.989   20.000   1
 PGL      var_2    O1     P      O2     HO2     -179.946   20.000   1
 PGL      var_3    O1     P      C      N        -55.031   20.000   1
 PGL      var_4    P      C      N      HN1       56.074   20.000   1
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
 PGL      plan-1    N         0.020
 PGL      plan-1    C         0.000
 PGL      plan-1    HN1       0.000
 PGL      plan-1    HN2       0.000
# ------------------------------------------------------
