@<TRIPOS>MOLECULE
FDBF00682
 19 18 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1         3.6690    1.2590    0.7490 C.3     1  FRG1        0.0491
      2  O4         5.0300    1.5830    1.0060 O.3     1  FRG1       -0.3947
      3  C1         4.4660   -0.1520   -1.1750 C.3     1  FRG1        0.0491
      4  O4         4.4370   -1.4350   -1.7840 O.3     1  FRG1       -0.3947
      5  C1         2.0960   -0.4600   -0.2280 C.3     1  FRG1       -0.0489
      6  C1         1.1580   -0.4450    0.9850 C.3     1  FRG1       -0.0649
      7  C1         3.5750   -0.1210    0.0760 C.3     1  FRG1        0.0051
      8 H           3.1287    1.2405    1.6724 H       1  FRG1        0.0560
      9 H           3.2492    1.9968    0.0977 H       1  FRG1        0.0560
     10 H           5.4151    0.9166    1.5963 H       1  FRG1        0.2094
     11 H           4.1133    0.5765   -1.8749 H       1  FRG1        0.0560
     12 H           5.4723    0.0668   -0.8845 H       1  FRG1        0.0560
     13 H           3.5288   -1.6452   -2.0521 H       1  FRG1        0.2094
     14 H           2.0630   -1.4386   -0.6594 H       1  FRG1        0.0267
     15 H           1.7446    0.3093   -0.8835 H       1  FRG1        0.0267
     16 H           1.4622   -1.1991    1.6805 H       1  FRG1        0.0230
     17 H           0.1561   -0.6395    0.6636 H       1  FRG1        0.0230
     18 H           1.2011    0.5141    1.4574 H       1  FRG1        0.0230
     19 H           3.9379   -0.8799    0.7373 H       1  FRG1        0.0345
@<TRIPOS>BOND
     1     4     3    1
     2     3     7    1
     3     5     7    1
     4     5     6    1
     5     7     1    1
     6     1     2    1
     7     1     8    1
     8     1     9    1
     9     2    10    1
    10     3    11    1
    11     3    12    1
    12     4    13    1
    13     5    14    1
    14     5    15    1
    15     6    16    1
    16     6    17    1
    17     6    18    1
    18     7    19    1