@<TRIPOS>MOLECULE
FDBF02736
 22 22 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1         1.4520    1.6490    0.1690 C.3     1  FRG1       -0.0400
      2  C5         0.5480    2.8460   -0.1040 C.3     1  FRG1       -0.0639
      3  C1         0.9320    0.3260   -0.4010 C.3     1  FRG1        0.0144
      4  O1        -1.6080    0.0130   -1.9610 O.2     1  FRG1       -0.2756
      5  C2        -1.5260   -0.1300   -0.7500 C.2     1  FRG1        0.2156
      6  N3        -0.4040    0.0190    0.0620 N.am    1  FRG1       -0.3015
      7  C4        -0.6700   -0.3060    1.4430 C.3     1  FRG1        0.0151
      8  C5        -2.1790   -0.1960    1.5380 C.3     1  FRG1       -0.0289
      9  C6        -2.6620   -0.5720    0.1420 C.3     1  FRG1        0.0256
     10 H           2.4105    1.8469   -0.2635 H       1  FRG1        0.0278
     11 H           1.4928    1.5308    1.2317 H       1  FRG1        0.0278
     12 H           0.4757    3.0049   -1.1597 H       1  FRG1        0.0230
     13 H           0.9601    3.7174    0.3605 H       1  FRG1        0.0230
     14 H          -0.4262    2.6557    0.2956 H       1  FRG1        0.0230
     15 H           0.9200    0.3919   -1.4689 H       1  FRG1        0.0464
     16 H           1.5831   -0.4544   -0.0663 H       1  FRG1        0.0464
     17 H          -0.1921    0.3900    2.1003 H       1  FRG1        0.0465
     18 H          -0.2999   -1.2689    1.7271 H       1  FRG1        0.0465
     19 H          -2.5649   -0.8743    2.2700 H       1  FRG1        0.0285
     20 H          -2.5038    0.7781    1.8388 H       1  FRG1        0.0285
     21 H          -2.8229   -1.6269    0.0633 H       1  FRG1        0.0359
     22 H          -3.5963   -0.1178   -0.1141 H       1  FRG1        0.0359
@<TRIPOS>BOND
     1     4     5    2
     2     5     6   am
     3     5     9    1
     4     3     6    1
     5     3     1    1
     6     2     1    1
     7     6     7    1
     8     9     8    1
     9     7     8    1
    10     1    10    1
    11     1    11    1
    12     2    12    1
    13     2    13    1
    14     2    14    1
    15     3    15    1
    16     3    16    1
    17     7    17    1
    18     7    18    1
    19     8    19    1
    20     8    20    1
    21     9    21    1
    22     9    22    1