@<TRIPOS>MOLECULE
FDBF01157
 21 20 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1         3.2250   -2.5370   -0.5310 C.3     1  FRG1       -0.0297
      2  C1         1.8030    2.1300   -1.7460 C.3     1  FRG1       -0.0652
      3  C1         1.9920   -3.0480   -1.3090 C.3     1  FRG1       -0.0629
      4  C1         2.6690    1.3180   -0.7640 C.3     1  FRG1       -0.0536
      5  C1         2.8670   -0.1200   -1.2790 C.3     1  FRG1       -0.0271
      6  O1         1.9700   -0.9440    0.8440 O.3     1  FRG1       -0.3918
      7  C2         3.0560   -1.0710   -0.0800 C.3     1  FRG1        0.0550
      8 H           4.0857   -2.6072   -1.1627 H       1  FRG1        0.0287
      9 H           3.3377   -3.1416    0.3446 H       1  FRG1        0.0287
     10 H           1.6767    3.1245   -1.3719 H       1  FRG1        0.0230
     11 H           0.8457    1.6629   -1.8476 H       1  FRG1        0.0230
     12 H           2.2851    2.1666   -2.7005 H       1  FRG1        0.0230
     13 H           1.8574   -2.4580   -2.1914 H       1  FRG1        0.0231
     14 H           1.1222   -2.9687   -0.6909 H       1  FRG1        0.0231
     15 H           2.1424   -4.0712   -1.5835 H       1  FRG1        0.0231
     16 H           2.1844    1.2867    0.1895 H       1  FRG1        0.0263
     17 H           3.6260    1.7886   -0.6769 H       1  FRG1        0.0263
     18 H           3.7334   -0.1588   -1.9057 H       1  FRG1        0.0290
     19 H           2.0077   -0.4200   -1.8416 H       1  FRG1        0.0290
     20 H           1.8818   -0.0165    1.1138 H       1  FRG1        0.2098
     21 H           3.9594   -0.7847    0.4168 H       1  FRG1        0.0593
@<TRIPOS>BOND
     1     2     4    1
     2     3     1    1
     3     5     4    1
     4     5     7    1
     5     1     7    1
     6     7     6    1
     7     1     8    1
     8     1     9    1
     9     2    10    1
    10     2    11    1
    11     2    12    1
    12     3    13    1
    13     3    14    1
    14     3    15    1
    15     4    16    1
    16     4    17    1
    17     5    18    1
    18     5    19    1
    19     6    20    1
    20     7    21    1