@<TRIPOS>MOLECULE
FDBF00933
 21 21 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1         1.3810  -14.9920   -0.1840 C.3     1  FRG1       -0.0002
      2  C2         2.1370  -16.2580    0.2700 C.3     1  FRG1        0.0639
      3  O3         1.5150  -16.8110    1.4320 O.3     1  FRG1       -0.3911
      4  C4         3.5670  -15.8060    0.6130 C.3     1  FRG1        0.0053
      5  C5         3.7870  -14.5650   -0.2630 C.3     1  FRG1       -0.0182
      6  C6         2.4230  -13.8570   -0.2600 C.3     1  FRG1        0.0582
      7  O7         2.2620  -13.1180   -1.4730 O.3     1  FRG1       -0.3917
      8  C1         4.5580  -16.8620    0.2250 C.2     1  FRG1       -0.0855
      9  C2         5.4950  -17.2660    1.0860 C.2     1  FRG1       -0.1023
     10 H           0.9386  -15.1514   -1.1451 H       1  FRG1        0.0315
     11 H           0.5946  -14.7475    0.4991 H       1  FRG1        0.0315
     12 H           2.1325  -17.0072   -0.4939 H       1  FRG1        0.0600
     13 H           1.5070  -16.1487    2.1406 H       1  FRG1        0.2098
     14 H           3.6914  -15.6176    1.6589 H       1  FRG1        0.0369
     15 H           4.5433  -13.9341    0.1553 H       1  FRG1        0.0296
     16 H           4.1189  -14.8126   -1.2497 H       1  FRG1        0.0296
     17 H           2.3221  -13.1680    0.5524 H       1  FRG1        0.0594
     18 H           2.3485  -13.7174   -2.2307 H       1  FRG1        0.2098
     19 H           4.5154  -17.2809   -0.7172 H       1  FRG1        0.0570
     20 H           5.5423  -16.8506    2.0295 H       1  FRG1        0.0532
     21 H           6.1720  -17.9936    0.8080 H       1  FRG1        0.0532
@<TRIPOS>BOND
     1     7     6    1
     2     5     6    1
     3     5     4    1
     4     6     1    1
     5     1     2    1
     6     8     4    1
     7     8     9    2
     8     2     4    1
     9     2     3    1
    10     1    10    1
    11     1    11    1
    12     2    12    1
    13     3    13    1
    14     4    14    1
    15     5    15    1
    16     5    16    1
    17     6    17    1
    18     7    18    1
    19     8    19    1
    20     9    20    1
    21     9    21    1