#
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
INS      INS '1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE ' non-polymer        24  12 M
#
data_comp_INS
#
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
 INS           C1     C    .         0.000
 INS           C2     C    .         0.000
 INS           C3     C    .         0.000
 INS           C4     C    .         0.000
 INS           C5     C    .         0.000
 INS           C6     C    .         0.000
 INS           O1     O    .         0.000
 INS           O2     O    .         0.000
 INS           O3     O    .         0.000
 INS           O4     O    .         0.000
 INS           O5     O    .         0.000
 INS           O6     O    .         0.000
 INS           H1     H    .         0.000
 INS           H2     H    .         0.000
 INS           H3     H    .         0.000
 INS           H4     H    .         0.000
 INS           H5     H    .         0.000
 INS           H6     H    .         0.000
 INS           HO1    H    .         0.000
 INS           HO2    H    .         0.000
 INS           HO3    H    .         0.000
 INS           HO4    H    .         0.000
 INS           HO5    H    .         0.000
 INS           HO6    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
 INS        C1     C2        single
 INS        C1     C6        single
 INS        C1     O1        single
 INS        C1     H1        single
 INS        C2     C3        single
 INS        C2     O2        single
 INS        C2     H2        single
 INS        C3     C4        single
 INS        C3     O3        single
 INS        C3     H3        single
 INS        C4     C5        single
 INS        C4     O4        single
 INS        C4     H4        single
 INS        C5     C6        single
 INS        C5     O5        single
 INS        C5     H5        single
 INS        C6     O6        single
 INS        C6     H6        single
 INS        O1     HO1       single
 INS        O2     HO2       single
 INS        O3     HO3       single
 INS        O4     HO4       single
 INS        O5     HO5       single
 INS        O6     HO6       single