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
POA      POA 'PHOSPHONOACETALDEHYDE               ' non-polymer        12   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_POA
#
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
 POA           O1P    O    O         0.000      0.000    0.000    0.000
 POA           P      P    P         0.000     -1.231   -0.752    0.331
 POA           O2P    O    OH1       0.000     -0.851   -2.034    1.228
 POA           H2P    H    H         0.000     -0.414   -1.913    2.082
 POA           O3P    O    OH1       0.000     -2.236    0.199    1.152
 POA           H3P    H    H         0.000     -3.092   -0.142    1.446
 POA           C1     C    CH2       0.000     -2.037   -1.303   -1.207
 POA           H11    H    H         0.000     -2.945   -1.859   -0.963
 POA           H12    H    H         0.000     -1.354   -1.950   -1.763
 POA           C2     C    C1        0.000     -2.391   -0.104   -2.048
 POA           H2     H    H         0.000     -3.058    0.647   -1.659
 POA           O2     O    O         0.000     -1.928    0.016   -3.155
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
 POA      O1P    n/a    P      START
 POA      P      O1P    C1     .
 POA      O2P    P      H2P    .
 POA      H2P    O2P    .      .
 POA      O3P    P      H3P    .
 POA      H3P    O3P    .      .
 POA      C1     P      C2     .
 POA      H11    C1     .      .
 POA      H12    C1     .      .
 POA      C2     C1     O2     .
 POA      H2     C2     .      .
 POA      O2     C2     .      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
 POA      C2     C1        single      1.510    0.020
 POA      C1     P         single      1.812    0.020
 POA      H11    C1        single      1.092    0.020
 POA      H12    C1        single      1.092    0.020
 POA      O2     C2        double      1.220    0.020
 POA      H2     C2        single      1.077    0.020
 POA      P      O1P       double      1.480    0.020
 POA      O2P    P         single      1.610    0.020
 POA      H2P    O2P       single      0.967    0.020
 POA      O3P    P         single      1.610    0.020
 POA      H3P    O3P       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
 POA      O1P    P      O2P     109.500    3.000
 POA      O1P    P      O3P     109.500    3.000
 POA      O1P    P      C1      109.500    3.000
 POA      O2P    P      O3P     109.500    3.000
 POA      O2P    P      C1      109.500    3.000
 POA      O3P    P      C1      109.500    3.000
 POA      P      O2P    H2P     120.000    3.000
 POA      P      O3P    H3P     120.000    3.000
 POA      P      C1     H11     109.500    3.000
 POA      P      C1     H12     109.500    3.000
 POA      P      C1     C2      109.500    3.000
 POA      H11    C1     H12     107.900    3.000
 POA      H11    C1     C2      109.470    3.000
 POA      H12    C1     C2      109.470    3.000
 POA      C1     C2     H2      120.000    3.000
 POA      C1     C2     O2      120.500    3.000
 POA      H2     C2     O2      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
 POA      var_1    O1P    P      O2P    H2P       60.030   20.000   1
 POA      var_2    O1P    P      O3P    H3P      179.956   20.000   1
 POA      var_3    O1P    P      C1     C2       -59.968   20.000   1
 POA      var_4    P      C1     C2     O2       120.016   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
 POA      plan-1    C2        0.020
 POA      plan-1    C1        0.000
 POA      plan-1    O2        0.000
 POA      plan-1    H2        0.000
# ------------------------------------------------------
