@<TRIPOS>MOLECULE
FDBF01022
 16 16 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1         3.1430    4.7990   -0.3250 C.3     1  FRG1       -0.0320
      2  C2         3.0020    5.9910    0.5760 C.3     1  FRG1       -0.0492
      3  C3         1.8860    5.6190   -0.3570 C.3     1  FRG1       -0.0492
      4  C1         3.0760    3.4440    0.2950 C.3     1  FRG1       -0.0037
      5  S1         2.3850    2.2470   -0.8630 S.3     1  FRG1       -0.1639
      6  C1         2.4710    0.7700    0.2440 C.3     1  FRG1       -0.0181
      7 H           3.8589    4.4822   -1.0544 H       1  FRG1        0.0309
      8 H           2.8858    5.8536    1.6308 H       1  FRG1        0.0268
      9 H           3.5755    6.8765    0.7545 H       1  FRG1        0.0268
     10 H           0.9745    5.2164    0.0328 H       1  FRG1        0.0268
     11 H           1.3347    6.1295   -1.1188 H       1  FRG1        0.0268
     12 H           4.0623    3.1355    0.5724 H       1  FRG1        0.0379
     13 H           2.4454    3.4913    1.1581 H       1  FRG1        0.0379
     14 H           2.0917   -0.0862   -0.2736 H       1  FRG1        0.0340
     15 H           1.8830    0.9464    1.1204 H       1  FRG1        0.0340
     16 H           3.4881    0.5946    0.5263 H       1  FRG1        0.0340
@<TRIPOS>BOND
     1     5     6    1
     2     5     4    1
     3     3     1    1
     4     3     2    1
     5     1     4    1
     6     1     2    1
     7     1     7    1
     8     2     8    1
     9     2     9    1
    10     3    10    1
    11     3    11    1
    12     4    12    1
    13     4    13    1
    14     6    14    1
    15     6    15    1
    16     6    16    1