@<TRIPOS>MOLECULE
FDBF01749
 22 22 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  O1         2.2990    3.8780    0.3010 O.2     1  FRG1       -0.2970
      2  C2         2.7470    2.7680    0.0460 C.2     1  FRG1        0.1392
      3  C3         1.9030    1.5210   -0.1220 C.3     1  FRG1        0.0234
      4  C4         2.9680    0.4210   -0.0000 C.3     1  FRG1        0.0125
      5  C5         4.2150    1.0450   -0.6410 C.3     1  FRG1        0.0687
      6  C6         4.2150    2.4900   -0.1500 C.3     1  FRG1        0.0327
      7  O12        5.3810    0.3680   -0.1990 O.3     1  FRG1       -0.3908
      8  C1         0.8050    1.4160    0.9230 C.3     1  FRG1       -0.0551
      9  C1         2.5530   -0.8570   -0.6570 C.2     1  FRG1       -0.0849
     10  C2         2.4630   -2.0310   -0.0150 C.2     1  FRG1       -0.1023
     11 H           1.3521    1.4816   -1.0385 H       1  FRG1        0.0381
     12 H           3.1396    0.1301    1.0153 H       1  FRG1        0.0375
     13 H           4.2056    0.9809   -1.7090 H       1  FRG1        0.0603
     14 H           4.6387    3.1467   -0.8808 H       1  FRG1        0.0367
     15 H           4.7992    2.6401    0.7338 H       1  FRG1        0.0367
     16 H           5.4277    0.4030    0.7692 H       1  FRG1        0.2098
     17 H           1.2391    1.4447    1.9006 H       1  FRG1        0.0237
     18 H           0.2769    0.4943    0.7942 H       1  FRG1        0.0237
     19 H           0.1257    2.2350    0.8102 H       1  FRG1        0.0237
     20 H           2.3226   -0.8340   -1.6627 H       1  FRG1        0.0570
     21 H           2.6866   -2.0875    0.9909 H       1  FRG1        0.0532
     22 H           2.1701   -2.8779   -0.5269 H       1  FRG1        0.0532
@<TRIPOS>BOND
     1     9    10    2
     2     9     4    1
     3     5     7    1
     4     5     6    1
     5     5     4    1
     6     6     2    1
     7     3     4    1
     8     3     2    1
     9     3     8    1
    10     2     1    2
    11     3    11    1
    12     4    12    1
    13     5    13    1
    14     6    14    1
    15     6    15    1
    16     7    16    1
    17     8    17    1
    18     8    18    1
    19     8    19    1
    20     9    20    1
    21    10    21    1
    22    10    22    1