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
PON      PON 'IMIDO DIPHOSPHATE                   ' non-polymer        11   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_PON
#
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
 PON           O6     O    O        -1.000      0.000    0.000    0.000
 PON           P2     P    P         0.000     -1.574   -0.030    0.337
 PON           N7     N    N         0.000     -1.777   -0.424    1.826
 PON           H7     H    H         0.000     -1.399    0.124    2.485
 PON           O5     O    OH1       0.000     -2.207    1.427    0.077
 PON           HO5    H    H         0.000     -3.149    1.581    0.233
 PON           O3     O    O2        0.000     -2.305   -1.109   -0.608
 PON           P1     P    P         0.000     -2.055   -0.641   -2.128
 PON           O1     O    OP       -0.666     -2.941    0.545   -2.442
 PON           O2     O    OP       -0.666     -2.386   -1.780   -3.068
 PON           O4     O    OP       -0.666     -0.605   -0.247   -2.303
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
 PON      O6     n/a    P2     START
 PON      P2     O6     O3     .
 PON      N7     P2     H7     .
 PON      H7     N7     .      .
 PON      O5     P2     HO5    .
 PON      HO5    O5     .      .
 PON      O3     P2     P1     .
 PON      P1     O3     O4     .
 PON      O1     P1     .      .
 PON      O2     P1     .      .
 PON      O4     P1     .      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
 PON      O1     P1        deloc       1.510    0.020
 PON      O2     P1        deloc       1.510    0.020
 PON      P1     O3        single      1.610    0.020
 PON      O4     P1        deloc       1.510    0.020
 PON      O3     P2        single      1.610    0.020
 PON      O5     P2        single      1.610    0.020
 PON      P2     O6        single      1.610    0.020
 PON      N7     P2        double      1.670    0.020
 PON      HO5    O5        single      0.967    0.020
 PON      H7     N7        single      0.954    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
 PON      O6     P2     N7      109.500    3.000
 PON      O6     P2     O5      109.500    3.000
 PON      O6     P2     O3      109.500    3.000
 PON      N7     P2     O5      109.500    3.000
 PON      N7     P2     O3      109.500    3.000
 PON      O5     P2     O3      109.500    3.000
 PON      P2     N7     H7      120.000    3.000
 PON      P2     O5     HO5     120.000    3.000
 PON      P2     O3     P1      120.500    3.000
 PON      O3     P1     O1      108.200    3.000
 PON      O3     P1     O2      108.200    3.000
 PON      O3     P1     O4      108.200    3.000
 PON      O1     P1     O2      119.900    3.000
 PON      O1     P1     O4      119.900    3.000
 PON      O2     P1     O4      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
 PON      var_1    O6     P2     N7     H7        59.950   20.000   1
 PON      var_2    O6     P2     O5     HO5     -179.975   20.000   1
 PON      var_3    O6     P2     O3     P1       -59.979   20.000   1
 PON      var_4    P2     O3     P1     O4        44.988   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
 PON      plan-1    N7        0.020
 PON      plan-1    P2        0.000
 PON      plan-1    H7        0.000
# ------------------------------------------------------
