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
PPF      PPF 'PHOSPHONOFORMIC ACID                ' non-polymer        10   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_PPF
#
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
 PPF           O5     O    O         0.000      0.000    0.000    0.000
 PPF           C1     C    C         0.000     -0.641   -0.062   -1.022
 PPF           O4     O    OH1       0.000     -0.013   -0.179   -2.201
 PPF           HO4    H    H         0.000      0.944   -0.197   -2.059
 PPF           P1     P    P         0.000     -2.453    0.002   -0.961
 PPF           O3     O    O         0.000     -3.009   -1.240   -1.542
 PPF           O2     O    OH1       0.000     -2.974    1.268   -1.806
 PPF           HO2    H    H         0.000     -2.700    2.162   -1.557
 PPF           O1     O    OH1       0.000     -2.933    0.141    0.568
 PPF           HO1    H    H         0.000     -3.877    0.188    0.775
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
 PPF      O5     n/a    C1     START
 PPF      C1     O5     P1     .
 PPF      O4     C1     HO4    .
 PPF      HO4    O4     .      .
 PPF      P1     C1     O1     .
 PPF      O3     P1     .      .
 PPF      O2     P1     HO2    .
 PPF      HO2    O2     .      .
 PPF      O1     P1     HO1    .
 PPF      HO1    O1     .      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
 PPF      O4     C1        single      1.330    0.020
 PPF      C1     O5        double      1.220    0.020
 PPF      P1     C1        single      1.715    0.020
 PPF      O1     P1        single      1.610    0.020
 PPF      HO1    O1        single      0.967    0.020
 PPF      O2     P1        single      1.610    0.020
 PPF      HO2    O2        single      0.967    0.020
 PPF      O3     P1        double      1.480    0.020
 PPF      HO4    O4        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
 PPF      O5     C1     O4      119.000    3.000
 PPF      O5     C1     P1      120.000    3.000
 PPF      O4     C1     P1      120.000    3.000
 PPF      C1     O4     HO4     109.470    3.000
 PPF      C1     P1     O3      109.500    3.000
 PPF      C1     P1     O2      109.500    3.000
 PPF      C1     P1     O1      109.500    3.000
 PPF      O3     P1     O2      109.500    3.000
 PPF      O3     P1     O1      109.500    3.000
 PPF      O2     P1     O1      109.500    3.000
 PPF      P1     O2     HO2     120.000    3.000
 PPF      P1     O1     HO1     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
 PPF      var_1    O5     C1     O4     HO4       -0.021   20.000   1
 PPF      var_2    O5     C1     P1     O1        -0.066   20.000   1
 PPF      var_3    C1     P1     O2     HO2      -60.026   20.000   1
 PPF      var_4    C1     P1     O1     HO1     -179.980   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
 PPF      plan-1    C1        0.020
 PPF      plan-1    O4        0.000
 PPF      plan-1    O5        0.000
 PPF      plan-1    P1        0.000
# ------------------------------------------------------
