@<TRIPOS>MOLECULE
FDBD00056
 22 21 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1 O           1.7318    1.0709   -1.2228 O.co2   1   UNK        -0.5442
      2 O1          2.2594    0.4785    0.9014 O.co2   1   UNK        -0.5442
      3 N           0.6284   -1.6112    0.9265 N.4     1   UNK         0.2251
      4 C          -0.8499   -0.1966   -0.5113 C.3     1   UNK         0.0043
      5 C1          0.5599   -0.8012   -0.2932 C.3     1   UNK         0.0186
      6 C2         -1.3284    0.7162    0.6425 C.3     1   UNK        -0.0478
      7 C3         -1.8909   -1.2949   -0.7794 C.3     1   UNK        -0.0569
      8 C4         -2.7052    1.3375    0.4485 C.3     1   UNK        -0.0648
      9 C5          1.5949    0.3007   -0.1121 C.2     1   UNK         0.0896
     10 H          -0.0470   -2.3732    0.8670 H       1   UNK         0.2001
     11 H1          0.4123   -1.0277    1.7347 H       1   UNK         0.2001
     12 H2          1.5676   -1.9964    1.0266 H       1   UNK         0.2001
     13 H3         -0.7568    0.4279   -1.3751 H       1   UNK         0.0357
     14 H4          0.7556   -1.4002   -1.1579 H       1   UNK         0.0917
     15 H5         -0.6194    1.5100    0.7526 H       1   UNK         0.0267
     16 H6         -1.4044    0.0888    1.5059 H       1   UNK         0.0267
     17 H7         -1.9825   -1.9182    0.0854 H       1   UNK         0.0234
     18 H8         -1.5780   -1.8868   -1.6141 H       1   UNK         0.0234
     19 H9         -2.8369   -0.8444   -0.9962 H       1   UNK         0.0234
     20 H10        -2.6893    1.9798   -0.4071 H       1   UNK         0.0230
     21 H11        -2.9654    1.9063    1.3167 H       1   UNK         0.0230
     22 H12        -3.4283    0.5630    0.2997 H       1   UNK         0.0230
@<TRIPOS>BOND
     1     1     9   ar
     2     2     9   ar
     3     3     5    1
     4     4     5    1
     5     4     6    1
     6     4     7    1
     7     5     9    1
     8     6     8    1
     9     3    10    1
    10     3    11    1
    11     3    12    1
    12     4    13    1
    13     5    14    1
    14     6    15    1
    15     6    16    1
    16     7    17    1
    17     7    18    1
    18     7    19    1
    19     8    20    1
    20     8    21    1
    21     8    22    1