#
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
NA6      NA6 'SODIUM ION, 6 WATERS COORDINATED    ' non-polymer        19   7 M
#
data_comp_NA6
#
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
 NA6           NA     NA   .         1.000
 NA6           O1     O    .         0.000
 NA6           O2     O    .         0.000
 NA6           O3     O    .         0.000
 NA6           O4     O    .         0.000
 NA6           O5     O    .         0.000
 NA6           O6     O    .         0.000
 NA6           HO11   H    .         0.000
 NA6           HO12   H    .         0.000
 NA6           HO21   H    .         0.000
 NA6           HO22   H    .         0.000
 NA6           HO31   H    .         0.000
 NA6           HO32   H    .         0.000
 NA6           HO41   H    .         0.000
 NA6           HO42   H    .         0.000
 NA6           HO51   H    .         0.000
 NA6           HO52   H    .         0.000
 NA6           HO61   H    .         0.000
 NA6           HO62   H    .         0.000
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
 NA6        NA     O1        single
 NA6        NA     O2        single
 NA6        NA     O3        single
 NA6        NA     O4        single
 NA6        NA     O5        single
 NA6        NA     O6        single
 NA6        O1     HO11      single
 NA6        O1     HO12      single
 NA6        O2     HO21      single
 NA6        O2     HO22      single
 NA6        O3     HO31      single
 NA6        O3     HO32      single
 NA6        O4     HO41      single
 NA6        O4     HO42      single
 NA6        O5     HO51      single
 NA6        O5     HO52      single
 NA6        O6     HO61      single
 NA6        O6     HO62      single