#
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
IMI      IMI '2-IMINOBIOTIN                       ' non-polymer        33  16 M
#
data_comp_IMI
#
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
 IMI           C11    C    .         0.000
 IMI           O11    O    .         0.000
 IMI           O12    O    .         0.000
 IMI           C10    C    .         0.000
 IMI           C9     C    .         0.000
 IMI           C8     C    .         0.000
 IMI           C7     C    .         0.000
 IMI           C2     C    .         0.000
 IMI           S1     S    .         0.000
 IMI           C6     C    .         0.000
 IMI           C5     C    .         0.000
 IMI           N1     N    .         0.000
 IMI           C3     C    .         0.000
 IMI           N3     N    .         0.000
 IMI           N2     N    .         0.000
 IMI           C4     C    .         0.000
 IMI           HO2    H    .         0.000
 IMI           H101   H    .         0.000
 IMI           H102   H    .         0.000
 IMI           H91    H    .         0.000
 IMI           H92    H    .         0.000
 IMI           H81    H    .         0.000
 IMI           H82    H    .         0.000
 IMI           H71    H    .         0.000
 IMI           H72    H    .         0.000
 IMI           H2     H    .         0.000
 IMI           H61    H    .         0.000
 IMI           H62    H    .         0.000
 IMI           H5     H    .         0.000
 IMI           HN1    H    .         0.000
 IMI           HN3    H    .         0.000
 IMI           HN2    H    .         0.000
 IMI           H4     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
 IMI        C11    C10       single
 IMI        C11    O11       double
 IMI        C11    O12       single
 IMI        O12    HO2       single
 IMI        C10    C9        single
 IMI        C10    H101      single
 IMI        C10    H102      single
 IMI        C9     C8        single
 IMI        C9     H91       single
 IMI        C9     H92       single
 IMI        C8     C7        single
 IMI        C8     H81       single
 IMI        C8     H82       single
 IMI        C7     C2        single
 IMI        C7     H71       single
 IMI        C7     H72       single
 IMI        C2     C4        single
 IMI        C2     S1        single
 IMI        C2     H2        single
 IMI        S1     C6        single
 IMI        C6     C5        single
 IMI        C6     H61       single
 IMI        C6     H62       single
 IMI        C5     C4        single
 IMI        C5     N1        single
 IMI        C5     H5        single
 IMI        N1     C3        single
 IMI        N1     HN1       single
 IMI        C3     N2        single
 IMI        C3     N3        double
 IMI        N3     HN3       single
 IMI        N2     C4        single
 IMI        N2     HN2       single
 IMI        C4     H4        single