@<TRIPOS>MOLECULE
FDBF01116
 22 22 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  S1         0.7420   -0.8470   -0.0550 S.3     1  FRG1       -0.1547
      2  N1         4.9740    0.8240   -0.6810 N.ar    1  FRG1       -0.3482
      3  C2         3.9090    0.8390    0.1740 C.ar    1  FRG1        0.0362
      4  C3         3.4380   -0.4380    0.1400 C.ar    1  FRG1        0.0715
      5  N4         4.1570   -1.2410   -0.6920 N.ar    1  FRG1       -0.2398
      6  C5         5.0840   -0.4450   -1.1770 C.ar    1  FRG1        0.0939
      7  C9         3.4930    2.0500    0.8980 C.3     1  FRG1       -0.0227
      8  C1        -1.8100   -1.7250    0.6230 C.3     1  FRG1       -0.0562
      9  C1         2.2760   -1.0060    0.8870 C.3     1  FRG1        0.0377
     10  C1        -0.3830   -1.6220    1.1480 C.3     1  FRG1       -0.0088
     11 H           5.5559    1.5874   -0.9000 H       1  FRG1        0.1665
     12 H           5.8072   -0.7422   -1.8506 H       1  FRG1        0.1027
     13 H           4.1416    2.8607    0.6393 H       1  FRG1        0.0292
     14 H           3.5474    1.8720    1.9517 H       1  FRG1        0.0292
     15 H           2.4874    2.2982    0.6297 H       1  FRG1        0.0292
     16 H          -2.4301   -2.1854    1.3635 H       1  FRG1        0.0238
     17 H          -1.8202   -2.3165   -0.2686 H       1  FRG1        0.0238
     18 H          -2.1816   -0.7455    0.4055 H       1  FRG1        0.0238
     19 H           2.4597   -2.0423    1.0801 H       1  FRG1        0.0441
     20 H           2.1663   -0.4619    1.8018 H       1  FRG1        0.0441
     21 H          -0.3871   -1.0352    2.0427 H       1  FRG1        0.0374
     22 H          -0.0301   -2.6150    1.3333 H       1  FRG1        0.0374
@<TRIPOS>BOND
     1     6     5   ar
     2     6     2   ar
     3     5     4   ar
     4     2     3   ar
     5     1     9    1
     6     1    10    1
     7     4     3   ar
     8     4     9    1
     9     3     7    1
    10     8    10    1
    11     2    11    1
    12     6    12    1
    13     7    13    1
    14     7    14    1
    15     7    15    1
    16     8    16    1
    17     8    17    1
    18     8    18    1
    19     9    19    1
    20     9    20    1
    21    10    21    1
    22    10    22    1