@<TRIPOS>MOLECULE
FDBF01934
 22 22 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1        -2.1290    2.1670    0.1030 C.3     1  FRG1       -0.0562
      2  C1        -1.1810    3.1070   -0.6320 C.3     1  FRG1       -0.0087
      3  O1         2.5880    0.3400    0.6970 O.2     1  FRG1       -0.4640
      4  C2         3.8950   -0.0200    0.6000 C.ar    1  FRG1        0.1022
      5  C3         4.6760    1.0740    0.3090 C.ar    1  FRG1       -0.0207
      6  C4         3.7940    2.1760    0.2230 C.ar    1  FRG1       -0.0196
      7  C5         2.5350    1.6780    0.4670 C.ar    1  FRG1        0.1150
      8  S1         0.3770    2.2920   -1.0990 S.3     1  FRG1       -0.1532
      9  C1         1.1730    2.3090    0.5230 C.3     1  FRG1        0.0518
     10  C1         4.1950   -1.4420    0.8150 C.3     1  FRG1       -0.0064
     11 H          -3.0270    2.6914    0.3550 H       1  FRG1        0.0238
     12 H          -1.6592    1.8141    0.9972 H       1  FRG1        0.0238
     13 H          -2.3665    1.3355   -0.5272 H       1  FRG1        0.0238
     14 H          -1.6647    3.4585   -1.5194 H       1  FRG1        0.0374
     15 H          -0.9425    3.9136    0.0294 H       1  FRG1        0.0374
     16 H           5.6997    1.0879    0.1795 H       1  FRG1        0.0652
     17 H           4.0443    3.1561    0.0185 H       1  FRG1        0.0652
     18 H           0.5650    1.7656    1.2158 H       1  FRG1        0.0456
     19 H           1.2838    3.3265    0.8351 H       1  FRG1        0.0456
     20 H           5.2479   -1.6036    0.7141 H       1  FRG1        0.0308
     21 H           3.6727   -2.0303    0.0897 H       1  FRG1        0.0308
     22 H           3.8828   -1.7278    1.7978 H       1  FRG1        0.0308
@<TRIPOS>BOND
     1     8     2    1
     2     8     9    1
     3     2     1    1
     4     6     5   ar
     5     6     7   ar
     6     5     4   ar
     7     7     9    1
     8     7     3   ar
     9     4     3   ar
    10     4    10    1
    11     1    11    1
    12     1    12    1
    13     1    13    1
    14     2    14    1
    15     2    15    1
    16     5    16    1
    17     6    17    1
    18     9    18    1
    19     9    19    1
    20    10    20    1
    21    10    21    1
    22    10    22    1