@<TRIPOS>MOLECULE
FDBF00111
 18 18 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1        -0.4220    0.3110   -1.3830 C.3     1  FRG1        0.0121
      2  C1         4.0760    0.3460    0.8840 C.3     1  FRG1       -0.0317
      3  S1         1.9480   -1.4030    1.1960 S.2     1  FRG1       -0.0824
      4  C2         2.7050   -0.0310    0.4860 C.ar    1  FRG1        0.0071
      5  C3         1.8550    0.5580   -0.4190 C.ar    1  FRG1        0.0252
      6  N4         0.6650   -0.1070   -0.4940 N.ar    1  FRG1       -0.3473
      7  C5         0.5290   -1.1530    0.2740 C.ar    1  FRG1        0.0426
      8  C8         2.0650    1.7460   -1.2600 C.3     1  FRG1       -0.0235
      9 H          -0.1225    1.1820   -1.9275 H       1  FRG1        0.0456
     10 H          -1.2919    0.5354   -0.8017 H       1  FRG1        0.0456
     11 H          -0.6455   -0.4791   -2.0690 H       1  FRG1        0.0456
     12 H           4.3779    1.2176    0.3417 H       1  FRG1        0.0283
     13 H           4.7452   -0.4598    0.6653 H       1  FRG1        0.0283
     14 H           4.0984    0.5534    1.9335 H       1  FRG1        0.0283
     15 H          -0.3148   -1.7454    0.3188 H       1  FRG1        0.0887
     16 H           1.1903    1.9245   -1.8499 H       1  FRG1        0.0292
     17 H           2.9030    1.5828   -1.9050 H       1  FRG1        0.0292
     18 H           2.2544    2.5951   -0.6370 H       1  FRG1        0.0292
@<TRIPOS>BOND
     1     1     6    1
     2     8     5    1
     3     6     5   ar
     4     6     7   ar
     5     5     4   ar
     6     7     3   ar
     7     4     2    1
     8     4     3   ar
     9     1     9    1
    10     1    10    1
    11     1    11    1
    12     2    12    1
    13     2    13    1
    14     2    14    1
    15     7    15    1
    16     8    16    1
    17     8    17    1
    18     8    18    1