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
SO3      SO3 'SULFITE ION                         ' non-polymer         4   4 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_SO3
#
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
 SO3           O3     O    OS       -1.000      0.000    0.000    0.000
 SO3           S      S    S3        0.000     -1.051    0.648    0.830
 SO3           O1     O    OS        0.000     -2.021   -0.476    0.943
 SO3           O2     O    OS       -1.000     -0.408    0.569    2.170
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
 SO3      O3     n/a    S      START
 SO3      S      O3     O2     .
 SO3      O1     S      .      .
 SO3      O2     S      .      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
 SO3      O1     S         double      1.800    0.020
 SO3      O2     S         single      1.800    0.020
 SO3      S      O3        single      1.800    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
 SO3      O3     S      O1      100.012    3.000
 SO3      O3     S      O2      100.030    3.000
 SO3      O1     S      O2       99.989    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
 SO3      chir_01  S      O1     O2     O3        negativ
# ------------------------------------------------------
