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
PO3      PO3 'PHOSPHITE ION                       ' non-polymer         4   4 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_PO3
#
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
 PO3           O3     O    OP       -1.000      0.000    0.000    0.000
 PO3           P      P    P1       -1.000     -1.223    0.619   -0.758
 PO3           O1     O    OP        0.000     -2.263    0.291    0.367
 PO3           O2     O    OP       -1.000     -0.956    2.085   -0.273
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
 PO3      O3     n/a    P      START
 PO3      P      O3     O2     .
 PO3      O1     P      .      .
 PO3      O2     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
 PO3      O1     P         double      1.675    0.020
 PO3      O2     P         single      1.675    0.020
 PO3      P      O3        single      1.675    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
 PO3      O3     P      O1      120.000    3.000
 PO3      O3     P      O2      120.000    3.000
 PO3      O1     P      O2      120.000    3.000
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 PO3      chir_01  P      O1     O2     O3        negativ
# ------------------------------------------------------
