@<TRIPOS>MOLECULE
FDBF00021
 22 21 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1        -1.1180    4.4960   -2.1320 C.3     1  FRG1       -0.0468
      2  C2        -2.5900    4.3210   -1.8910 C.2     1  FRG1       -0.0910
      3  C3        -3.1450    4.6250   -0.7130 C.2     1  FRG1       -0.0879
      4  C1        -4.9000    1.9440   -0.0590 C.3     1  FRG1        0.0470
      5  O2        -5.9890    1.8540   -0.9830 O.3     1  FRG1       -0.3947
      6  C1        -6.1610    3.6250    1.3420 C.3     1  FRG1       -0.0601
      7  C2        -4.8500    3.3470    0.5830 C.3     1  FRG1       -0.0172
      8  C1        -4.6180    4.4430   -0.4770 C.3     1  FRG1       -0.0301
      9 H          -0.8823    4.1969   -3.1319 H       1  FRG1        0.0272
     10 H          -0.5690    3.8919   -1.4402 H       1  FRG1        0.0272
     11 H          -0.8540    5.5239   -1.9956 H       1  FRG1        0.0272
     12 H          -3.1862    3.9582   -2.6512 H       1  FRG1        0.0566
     13 H          -2.5513    4.9911    0.0476 H       1  FRG1        0.0569
     14 H          -3.9821    1.7612   -0.5777 H       1  FRG1        0.0560
     15 H          -5.0394    1.2154    0.7121 H       1  FRG1        0.0560
     16 H          -5.8713    2.5114   -1.6865 H       1  FRG1        0.2094
     17 H          -6.1179    4.5987    1.7835 H       1  FRG1        0.0233
     18 H          -6.2914    2.8908    2.1094 H       1  FRG1        0.0233
     19 H          -6.9845    3.5786    0.6604 H       1  FRG1        0.0233
     20 H          -4.0278    3.3669    1.2675 H       1  FRG1        0.0323
     21 H          -5.0910    4.1561   -1.3929 H       1  FRG1        0.0311
     22 H          -5.0345    5.3644   -0.1270 H       1  FRG1        0.0311
@<TRIPOS>BOND
     1     1     2    1
     2     2     3    2
     3     5     4    1
     4     3     8    1
     5     8     7    1
     6     4     7    1
     7     7     6    1
     8     1     9    1
     9     1    10    1
    10     1    11    1
    11     2    12    1
    12     3    13    1
    13     4    14    1
    14     4    15    1
    15     5    16    1
    16     6    17    1
    17     6    18    1
    18     6    19    1
    19     7    20    1
    20     8    21    1
    21     8    22    1