@<TRIPOS>MOLECULE
FDBF00112
 22 22 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        0.0035
      3  S1         1.9480   -1.4030    1.1960 S.2     1  FRG1       -0.0821
      4  C2         2.7050   -0.0310    0.4860 C.ar    1  FRG1        0.0123
      5  C3         1.8550    0.5580   -0.4190 C.ar    1  FRG1        0.0255
      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        0.0427
      8  C8         2.0650    1.7460   -1.2600 C.3     1  FRG1       -0.0235
      9  C1         5.1630   -0.3200    0.0210 C.3     1  FRG1        0.0487
     10  O4         6.4560    0.0910    0.4470 O.3     1  FRG1       -0.3947
     11 H          -0.1225    1.1820   -1.9275 H       1  FRG1        0.0456
     12 H          -1.2919    0.5354   -0.8017 H       1  FRG1        0.0456
     13 H          -0.6455   -0.4791   -2.0690 H       1  FRG1        0.0456
     14 H           4.1756    1.4078    0.7966 H       1  FRG1        0.0341
     15 H           4.2187    0.0102    1.8899 H       1  FRG1        0.0341
     16 H          -0.3148   -1.7454    0.3188 H       1  FRG1        0.0887
     17 H           1.1903    1.9245   -1.8499 H       1  FRG1        0.0292
     18 H           2.9030    1.5828   -1.9050 H       1  FRG1        0.0292
     19 H           2.2544    2.5951   -0.6370 H       1  FRG1        0.0292
     20 H           5.0832   -1.3831    0.1123 H       1  FRG1        0.0560
     21 H           5.0243   -0.0267   -0.9986 H       1  FRG1        0.0560
     22 H           6.5904   -0.1711    1.3712 H       1  FRG1        0.2094
@<TRIPOS>BOND
     1     1     6    1
     2     8     5    1
     3     6     5   ar
     4     6     7   ar
     5     5     4   ar
     6     9    10    1
     7     9     2    1
     8     7     3   ar
     9     4     2    1
    10     4     3   ar
    11     1    11    1
    12     1    12    1
    13     1    13    1
    14     2    14    1
    15     2    15    1
    16     7    16    1
    17     8    17    1
    18     8    18    1
    19     8    19    1
    20     9    20    1
    21     9    21    1
    22    10    22    1