@<TRIPOS>MOLECULE
LIG
   13    13     1     0     0
SMALL
No Charge or Current Charge


@<TRIPOS>ATOM
      1 I1           3.5400     1.4200     0.0000 i          1 LIG      -0.280000
      2 C4           3.5560     1.4790    -2.0880 ca         1 LIG       0.072000
      3 C3           4.6340     0.9060    -2.7620 ca         1 LIG      -0.045000
      4 H3           5.4550     0.4370    -2.2220 ha         1 LIG       0.126000
      5 C2           4.6770     0.9270    -4.1570 ca         1 LIG      -0.152000
      6 H2           5.5160     0.4800    -4.6820 ha         1 LIG       0.121000
      7 C1           3.6410     1.5220    -4.8770 ca         1 LIG      -0.061000
      8 H1           3.6740     1.5380    -5.9630 ha         1 LIG       0.121000
      9 C6           2.5630     2.0950    -4.2040 ca         1 LIG      -0.143000
     10 H4           1.7600     2.5570    -4.7720 ha         1 LIG       0.137000
     11 C5           2.5200     2.0740    -2.8090 ca         1 LIG       0.164100
     12 O1           1.4480     2.6450    -2.1890 oh         1 LIG      -0.530100
     13 H5           1.5360     2.5640    -1.2280 ho         1 LIG       0.469000
@<TRIPOS>BOND
     1     2     1 1   
     2     3     2 ar  
     3     4     3 1   
     4     5     3 ar  
     5     6     5 1   
     6     7     5 ar  
     7     8     7 1   
     8     9     7 ar  
     9    10     9 1   
    10    11     9 ar  
    11    12    11 1   
    12    13    12 1   
    13    11     2 ar  
@<TRIPOS>SUBSTRUCTURE
     1 LIG         1 TEMP              0 ****  ****    0 ROOT