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
2PO      2PO 'PHOSPHONATE                         ' non-polymer         5   4 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_2PO
#
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
 2PO           O3P    O    OP        0.000      0.000    0.000    0.000
 2PO           P      P    P         0.000     -1.290    0.811   -0.100
 2PO           HP     H    H         0.000     -0.925    2.112    0.306
 2PO           O1P    O    OP       -1.000     -2.365    0.384    0.895
 2PO           O2P    O    OP       -1.000     -1.802    0.982   -1.527
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
 2PO      O3P    n/a    P      START
 2PO      P      O3P    O2P    .
 2PO      HP     P      .      .
 2PO      O1P    P      .      .
 2PO      O2P    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
 2PO      O1P    P         deloc       1.510    0.020
 2PO      O2P    P         deloc       1.510    0.020
 2PO      P      O3P       deloc       1.510    0.020
 2PO      HP     P         single      1.383    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
 2PO      O3P    P      HP      109.500    3.000
 2PO      O3P    P      O1P     119.900    3.000
 2PO      O3P    P      O2P     119.900    3.000
 2PO      HP     P      O1P     109.500    3.000
 2PO      HP     P      O2P     109.500    3.000
 2PO      O1P    P      O2P     119.900    3.000
# ------------------------------------------------------
