@<TRIPOS>MOLECULE
FDBF00084
 22 21 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1         0.5000   -3.9920    0.1110 C.3     1  FRG1       -0.0376
      2  C5         1.8070   -3.5600   -0.5360 C.3     1  FRG1       -0.0618
      3  C1        -3.7770   -1.7050   -0.3400 C.2     1  FRG1       -0.0907
      4  C2        -2.6090   -2.2670   -0.6900 C.2     1  FRG1       -0.0845
      5  C1        -1.2730   -1.6260   -0.4550 C.3     1  FRG1       -0.0166
      6  C1        -0.7330   -1.9590    0.9050 C.2     1  FRG1       -0.0842
      7  C2         0.0570   -3.0130    1.1570 C.2     1  FRG1       -0.0879
      8  C1        -3.8920   -0.3670    0.3290 C.3     1  FRG1       -0.0468
      9 H           0.6374   -4.9502    0.5670 H       1  FRG1        0.0305
     10 H          -0.2527   -4.0370   -0.6482 H       1  FRG1        0.0305
     11 H           2.5738   -3.5090    0.2086 H       1  FRG1        0.0233
     12 H           1.6814   -2.5970   -0.9852 H       1  FRG1        0.0233
     13 H           2.0853   -4.2701   -1.2865 H       1  FRG1        0.0233
     14 H          -4.6460   -2.2234   -0.5429 H       1  FRG1        0.0566
     15 H          -2.6314   -3.1923   -1.1465 H       1  FRG1        0.0572
     16 H          -1.3779   -0.5643   -0.5367 H       1  FRG1        0.0350
     17 H          -0.5887   -1.9995   -1.1879 H       1  FRG1        0.0350
     18 H          -0.9842   -1.3408    1.6923 H       1  FRG1        0.0572
     19 H           0.3786   -3.1588    2.1267 H       1  FRG1        0.0569
     20 H          -2.9150    0.0451    0.4727 H       1  FRG1        0.0272
     21 H          -4.3733   -0.4827    1.2776 H       1  FRG1        0.0272
     22 H          -4.4697    0.2909   -0.2861 H       1  FRG1        0.0272
@<TRIPOS>BOND
     1     4     5    1
     2     4     3    2
     3     2     1    1
     4     5     6    1
     5     3     8    1
     6     1     7    1
     7     6     7    2
     8     1     9    1
     9     1    10    1
    10     2    11    1
    11     2    12    1
    12     2    13    1
    13     3    14    1
    14     4    15    1
    15     5    16    1
    16     5    17    1
    17     6    18    1
    18     7    19    1
    19     8    20    1
    20     8    21    1
    21     8    22    1