@<TRIPOS>MOLECULE
FDBF00136
 17 17 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1         0.8860    0.7830   -0.0420 C.3     1  FRG1       -0.0432
      2  S1         2.5870   -1.3580   -0.3600 S.3     1  FRG1       -0.0897
      3  S2         4.6240   -1.1510   -0.4690 S.3     1  FRG1       -0.0928
      4  C3         4.7200    0.4920    0.2820 C.3     1  FRG1        0.0050
      5  C4         3.3870    1.1800    0.0120 C.3     1  FRG1       -0.0305
      6  C5         2.2370    0.2520    0.4120 C.3     1  FRG1        0.0160
      7  C1        -0.2860   -0.1270    0.3330 C.3     1  FRG1       -0.0643
      8 H           0.7293    1.7402    0.4097 H       1  FRG1        0.0273
      9 H           0.9125    0.8373   -1.1103 H       1  FRG1        0.0273
     10 H           5.5188    1.0517   -0.1579 H       1  FRG1        0.0385
     11 H           4.9096    0.4226    1.3328 H       1  FRG1        0.0385
     12 H           3.3110    1.4119   -1.0298 H       1  FRG1        0.0284
     13 H           3.3309    2.0814    0.5858 H       1  FRG1        0.0284
     14 H           2.1771    0.1757    1.4776 H       1  FRG1        0.0420
     15 H          -0.3478   -0.2083    1.3981 H       1  FRG1        0.0230
     16 H          -0.1336   -1.0977   -0.0906 H       1  FRG1        0.0230
     17 H          -1.1960    0.2888   -0.0464 H       1  FRG1        0.0230
@<TRIPOS>BOND
     1     3     2    1
     2     3     4    1
     3     2     6    1
     4     1     7    1
     5     1     6    1
     6     5     4    1
     7     5     6    1
     8     1     8    1
     9     1     9    1
    10     4    10    1
    11     4    11    1
    12     5    12    1
    13     5    13    1
    14     6    14    1
    15     7    15    1
    16     7    16    1
    17     7    17    1