@<TRIPOS>MOLECULE
FDBF02782
 22 21 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1         4.4820    3.7470   -0.0890 C.3     1  FRG1        0.0122
      2  O1         3.7430   -1.9300   -2.1050 O.3     1  FRG1       -0.3902
      3  C2         4.4150   -0.8000   -1.5410 C.3     1  FRG1        0.0705
      4  O1         2.7650    2.9800   -1.5120 O.2     1  FRG1       -0.2761
      5  C2         3.7000    2.6750   -0.7880 C.2     1  FRG1        0.2102
      6  N3         4.1030    1.4100   -0.5650 N.am    1  FRG1       -0.3105
      7  C1         5.1880   -1.2200   -0.2760 C.3     1  FRG1       -0.0372
      8  C1         3.4020    0.3140   -1.2090 C.3     1  FRG1        0.0459
      9  C1         2.2970   -0.2150   -0.2740 C.3     1  FRG1       -0.0442
     10 H           4.0754    4.7049   -0.3380 H       1  FRG1        0.0322
     11 H           5.5050    3.7021   -0.3994 H       1  FRG1        0.0322
     12 H           4.4235    3.5988    0.9691 H       1  FRG1        0.0322
     13 H           3.2599   -1.6552   -2.9000 H       1  FRG1        0.2098
     14 H           5.1128   -0.4204   -2.2578 H       1  FRG1        0.0609
     15 H           4.8666    1.2297    0.0297 H       1  FRG1        0.1490
     16 H           4.5020   -1.6021    0.4508 H       1  FRG1        0.0255
     17 H           5.6993   -0.3712    0.1278 H       1  FRG1        0.0255
     18 H           5.8996   -1.9783   -0.5281 H       1  FRG1        0.0255
     19 H           2.9432    0.6512   -2.1149 H       1  FRG1        0.0521
     20 H           2.7365   -0.5576    0.6394 H       1  FRG1        0.0248
     21 H           1.7852   -1.0254   -0.7495 H       1  FRG1        0.0248
     22 H           1.6021    0.5708   -0.0628 H       1  FRG1        0.0248
@<TRIPOS>BOND
     1     2     3    1
     2     3     8    1
     3     3     7    1
     4     4     5    2
     5     8     6    1
     6     8     9    1
     7     5     6   am
     8     5     1    1
     9     1    10    1
    10     1    11    1
    11     1    12    1
    12     2    13    1
    13     3    14    1
    14     6    15    1
    15     7    16    1
    16     7    17    1
    17     7    18    1
    18     8    19    1
    19     9    20    1
    20     9    21    1
    21     9    22    1