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
SO4      SO4 'SULFATE ION                         ' non-polymer         5   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_SO4
#
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
 SO4           O4     O    OS       -1.000      0.000    0.000    0.000
 SO4           S      S    ST        0.000     -1.427    0.000   -0.360
 SO4           O1     O    OS        0.000     -1.733   -1.201   -1.153
 SO4           O2     O    OS        0.000     -1.733    1.201   -1.153
 SO4           O3     O    OS       -1.000     -2.241    0.000    0.865
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
 SO4      O4     n/a    S      START
 SO4      S      O4     O3     .
 SO4      O1     S      .      .
 SO4      O2     S      .      .
 SO4      O3     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
 SO4      O1     S         deloc       1.480    0.020
 SO4      O2     S         deloc       1.480    0.020
 SO4      O3     S         deloc       1.480    0.020
 SO4      S      O4        deloc       1.480    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
 SO4      O4     S      O1      109.500    3.000
 SO4      O4     S      O2      109.500    3.000
 SO4      O4     S      O3      109.500    3.000
 SO4      O1     S      O2      109.500    3.000
 SO4      O1     S      O3      109.500    3.000
 SO4      O2     S      O3      109.500    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
 SO4      chir_01  S      O1     O2     O3        both
# ------------------------------------------------------
