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
2PA      2PA 'DIAMIDOPHOSPHATE                    ' non-polymer        10   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_2PA
#
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
 2PA           O1     O    O         0.000      0.000    0.000    0.000
 2PA           P2     P    P         0.000     -1.265   -0.743    0.201
 2PA           O3     O    OH1       0.000     -2.485    0.299    0.324
 2PA           HO31   H    H         0.000     -3.385   -0.025    0.458
 2PA           N5     N    NH2       0.000     -1.528   -1.764   -1.110
 2PA           HN52   H    H         0.000     -1.597   -2.749   -0.951
 2PA           HN51   H    H         0.000     -1.612   -1.368   -2.024
 2PA           N4     N    NH2       0.000     -1.160   -1.655    1.611
 2PA           HN42   H    H         0.000     -0.288   -1.694    2.100
 2PA           HN41   H    H         0.000     -1.971   -2.142    1.935
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
 2PA      O1     n/a    P2     START
 2PA      P2     O1     N4     .
 2PA      O3     P2     HO31   .
 2PA      HO31   O3     .      .
 2PA      N5     P2     HN51   .
 2PA      HN52   N5     .      .
 2PA      HN51   N5     .      .
 2PA      N4     P2     HN41   .
 2PA      HN42   N4     .      .
 2PA      HN41   N4     .      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
 2PA      N4     P2        single      1.750    0.020
 2PA      HN41   N4        single      1.010    0.020
 2PA      HN42   N4        single      1.010    0.020
 2PA      N5     P2        single      1.750    0.020
 2PA      HN51   N5        single      1.010    0.020
 2PA      HN52   N5        single      1.010    0.020
 2PA      P2     O1        double      1.480    0.020
 2PA      O3     P2        single      1.610    0.020
 2PA      HO31   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
 2PA      O1     P2     O3      109.500    3.000
 2PA      O1     P2     N5      109.500    3.000
 2PA      O1     P2     N4      109.500    3.000
 2PA      O3     P2     N5      109.500    3.000
 2PA      O3     P2     N4      109.500    3.000
 2PA      N5     P2     N4      109.500    3.000
 2PA      P2     O3     HO31    120.000    3.000
 2PA      P2     N5     HN52    120.000    3.000
 2PA      P2     N5     HN51    120.000    3.000
 2PA      HN52   N5     HN51    120.000    3.000
 2PA      P2     N4     HN42    120.000    3.000
 2PA      P2     N4     HN41    120.000    3.000
 2PA      HN42   N4     HN41    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
 2PA      var_1    O1     P2     O3     HO31     179.995   20.000   1
 2PA      var_2    O1     P2     N5     HN51     -59.970   20.000   1
 2PA      var_3    O1     P2     N4     HN41     173.815   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
 2PA      plan-1    N4        0.020
 2PA      plan-1    P2        0.020
 2PA      plan-1    HN41      0.020
 2PA      plan-1    HN42      0.020
 2PA      plan-2    N5        0.020
 2PA      plan-2    P2        0.020
 2PA      plan-2    HN51      0.020
 2PA      plan-2    HN52      0.020
# ------------------------------------------------------
