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
HPV      HPV '2-oxo-3-(phosphonooxy)propanoic acid' non-polymer        13  11 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_HPV
#
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
 HPV           O2     O    OC       -0.500      0.000    0.000    0.000
 HPV           C1     C    C         0.000     -1.102   -0.591    0.033
 HPV           O1     O    OC       -0.500     -1.140   -1.840    0.094
 HPV           C2     C    C         0.000     -2.370    0.192    0.000
 HPV           O3     O    O         0.000     -2.333    1.399   -0.053
 HPV           C3     C    CH2       0.000     -3.697   -0.520    0.041
 HPV           H3     H    H         0.000     -3.768   -1.106    0.959
 HPV           H3A    H    H         0.000     -3.780   -1.185   -0.821
 HPV           O1P    O    O2        0.000     -4.754    0.442    0.005
 HPV           P      P    P         0.000     -6.311    0.034    0.033
 HPV           O4P    O    OP       -0.666     -6.655   -0.733   -1.225
 HPV           O2P    O    OP       -0.666     -7.159    1.285    0.107
 HPV           O3P    O    OP       -0.666     -6.584   -0.833    1.243
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
 HPV      O2     n/a    C1     START
 HPV      C1     O2     C2     .
 HPV      O1     C1     .      .
 HPV      C2     C1     C3     .
 HPV      O3     C2     .      .
 HPV      C3     C2     O1P    .
 HPV      H3     C3     .      .
 HPV      H3A    C3     .      .
 HPV      O1P    C3     P      .
 HPV      P      O1P    O3P    .
 HPV      O4P    P      .      .
 HPV      O2P    P      .      .
 HPV      O3P    P      .      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
 HPV      C3     C2        single      1.510    0.020
 HPV      O3     C2        double      1.220    0.020
 HPV      C2     C1        single      1.460    0.020
 HPV      O4P    P         deloc       1.510    0.020
 HPV      O2P    P         deloc       1.510    0.020
 HPV      O3P    P         deloc       1.510    0.020
 HPV      P      O1P       single      1.610    0.020
 HPV      O1P    C3        single      1.426    0.020
 HPV      O1     C1        deloc       1.250    0.020
 HPV      C1     O2        deloc       1.250    0.020
 HPV      H3     C3        single      1.092    0.020
 HPV      H3A    C3        single      1.092    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
 HPV      O2     C1     O1      123.000    3.000
 HPV      O2     C1     C2      120.000    3.000
 HPV      O1     C1     C2      120.000    3.000
 HPV      C1     C2     O3      120.500    3.000
 HPV      C1     C2     C3      120.000    3.000
 HPV      O3     C2     C3      120.500    3.000
 HPV      C2     C3     H3      109.470    3.000
 HPV      C2     C3     H3A     109.470    3.000
 HPV      C2     C3     O1P     109.470    3.000
 HPV      H3     C3     H3A     107.900    3.000
 HPV      H3     C3     O1P     109.470    3.000
 HPV      H3A    C3     O1P     109.470    3.000
 HPV      C3     O1P    P       120.500    3.000
 HPV      O1P    P      O4P     108.200    3.000
 HPV      O1P    P      O2P     108.200    3.000
 HPV      O1P    P      O3P     108.200    3.000
 HPV      O4P    P      O2P     119.900    3.000
 HPV      O4P    P      O3P     119.900    3.000
 HPV      O2P    P      O3P     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
 HPV      var_1    O2     C1     C2     C3      -179.960   20.000   1
 HPV      var_2    C1     C2     C3     O1P      179.712   20.000   3
 HPV      var_3    C2     C3     O1P    P        179.977   20.000   1
 HPV      var_4    C3     O1P    P      O3P       54.999   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
 HPV      plan-1    C2        0.020
 HPV      plan-1    C3        0.020
 HPV      plan-1    O3        0.020
 HPV      plan-1    C1        0.020
 HPV      plan-2    C1        0.020
 HPV      plan-2    C2        0.020
 HPV      plan-2    O1        0.020
 HPV      plan-2    O2        0.020
# ------------------------------------------------------
