@<TRIPOS>MOLECULE
FDBF01752
 25 25 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        0.1395
      3  C3         1.9030    1.5210   -0.1220 C.3     1  FRG1        0.0259
      4  C4         2.9680    0.4210   -0.0000 C.3     1  FRG1        0.0128
      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       -0.0457
      9  C1        -0.4110    2.2640    0.5470 C.3     1  FRG1       -0.0646
     10  C1         2.5530   -0.8570   -0.6570 C.2     1  FRG1       -0.0849
     11  C2         2.4630   -2.0310   -0.0150 C.2     1  FRG1       -0.1023
     12 H           1.3521    1.4816   -1.0385 H       1  FRG1        0.0384
     13 H           3.1396    0.1301    1.0153 H       1  FRG1        0.0375
     14 H           4.2056    0.9809   -1.7090 H       1  FRG1        0.0603
     15 H           4.6387    3.1467   -0.8808 H       1  FRG1        0.0367
     16 H           4.7992    2.6401    0.7338 H       1  FRG1        0.0367
     17 H           5.4277    0.4030    0.7692 H       1  FRG1        0.2098
     18 H           1.1870    1.7541    1.8636 H       1  FRG1        0.0269
     19 H           0.4953    0.3935    0.9824 H       1  FRG1        0.0269
     20 H          -0.1224    3.2923    0.4822 H       1  FRG1        0.0230
     21 H          -1.1685    2.1525    1.2945 H       1  FRG1        0.0230
     22 H          -0.7928    1.9404   -0.3987 H       1  FRG1        0.0230
     23 H           2.3226   -0.8340   -1.6627 H       1  FRG1        0.0570
     24 H           2.6866   -2.0875    0.9909 H       1  FRG1        0.0532
     25 H           2.1701   -2.8779   -0.5269 H       1  FRG1        0.0532
@<TRIPOS>BOND
     1    10    11    2
     2    10     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     9     8    1
    12     3    12    1
    13     4    13    1
    14     5    14    1
    15     6    15    1
    16     6    16    1
    17     7    17    1
    18     8    18    1
    19     8    19    1
    20     9    20    1
    21     9    21    1
    22     9    22    1
    23    10    23    1
    24    11    24    1
    25    11    25    1