@<TRIPOS>MOLECULE
FDBF00245
 22 22 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1        -1.6470   -1.3080    0.6670 C.3     1  FRG1       -0.0601
      2  C1        -1.5980   -0.0490   -0.2110 C.3     1  FRG1       -0.0178
      3  C2        -0.6980    1.0760    0.3900 C.3     1  FRG1        0.0578
      4  C3        -0.7840    2.3540   -0.4810 C.3     1  FRG1       -0.0266
      5  C4        -2.2240    2.8210   -0.6990 C.3     1  FRG1       -0.0507
      6  C5        -3.0800    1.7120   -1.2950 C.3     1  FRG1       -0.0527
      7  C6        -3.0390    0.4490   -0.4410 C.3     1  FRG1       -0.0481
      8  O16       -1.2420    1.4060    1.6780 O.3     1  FRG1       -0.3915
      9 H          -2.2762   -2.0403    0.2057 H       1  FRG1        0.0233
     10 H          -2.0396   -1.0562    1.6300 H       1  FRG1        0.0233
     11 H          -0.6594   -1.7047    0.7771 H       1  FRG1        0.0233
     12 H          -1.1466   -0.3081   -1.1459 H       1  FRG1        0.0323
     13 H           0.3168    0.7406    0.4409 H       1  FRG1        0.0596
     14 H          -0.2396    3.1369    0.0044 H       1  FRG1        0.0290
     15 H          -0.3699    2.1213   -1.4398 H       1  FRG1        0.0290
     16 H          -2.6409    3.1163    0.2411 H       1  FRG1        0.0266
     17 H          -2.2127    3.6439   -1.3828 H       1  FRG1        0.0266
     18 H          -2.7159    1.4808   -2.2742 H       1  FRG1        0.0265
     19 H          -4.0924    2.0560   -1.3345 H       1  FRG1        0.0265
     20 H          -3.5950   -0.3200   -0.9354 H       1  FRG1        0.0269
     21 H          -3.4632    0.6825    0.5132 H       1  FRG1        0.0269
     22 H          -2.1597    1.7028    1.5750 H       1  FRG1        0.2098
@<TRIPOS>BOND
     1     6     5    1
     2     6     7    1
     3     5     4    1
     4     4     3    1
     5     7     2    1
     6     2     3    1
     7     2     1    1
     8     3     8    1
     9     1     9    1
    10     1    10    1
    11     1    11    1
    12     2    12    1
    13     3    13    1
    14     4    14    1
    15     4    15    1
    16     5    16    1
    17     5    17    1
    18     6    18    1
    19     6    19    1
    20     7    20    1
    21     7    21    1
    22     8    22    1