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
SE4      SE4 'SELENATE ION                        ' non-polymer         5   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_SE4
#
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
 SE4           O4     O    O        -1.000      0.000    0.000    0.000
 SE4           SE     SE   SE        0.000      0.360    0.173    1.467
 SE4           O1     O    O         0.000      1.900    0.254    1.599
 SE4           O2     O    O         0.000     -0.251    1.481    2.059
 SE4           O3     O    O        -1.000     -0.097   -0.992    2.299
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
 SE4      O4     n/a    SE     START
 SE4      SE     O4     O3     .
 SE4      O1     SE     .      .
 SE4      O2     SE     .      .
 SE4      O3     SE     .      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
 SE4      O1     SE        double      1.597    0.020
 SE4      O2     SE        double      1.597    0.020
 SE4      O3     SE        single      1.974    0.020
 SE4      SE     O4        single      1.974    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
 SE4      O4     SE     O1       98.000    3.000
 SE4      O4     SE     O2       98.000    3.000
 SE4      O4     SE     O3       98.000    3.000
 SE4      O1     SE     O2       98.000    3.000
 SE4      O1     SE     O3       98.000    3.000
 SE4      O2     SE     O3       98.000    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
 SE4      chir_01  SE     O1     O2     O3        positiv
# ------------------------------------------------------
