@<TRIPOS>MOLECULE
FDBF00392
 28 28 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1         1.6580    1.3110   -0.2430 C.3     1  FRG1       -0.0045
      2  C2         0.9630    2.5430    0.3510 C.3     1  FRG1       -0.0473
      3  C3         1.0720    3.7530   -0.5730 C.3     1  FRG1       -0.0527
      4  C4         2.5230    4.0580   -0.9320 C.3     1  FRG1       -0.0530
      5  C5         3.2230    2.8380   -1.5220 C.3     1  FRG1       -0.0527
      6  C6         3.1170    1.6260   -0.6000 C.3     1  FRG1       -0.0473
      7  C18        1.5810    0.1300    0.7220 C.3     1  FRG1        0.1543
      8  O19        2.2980    0.5150    1.9020 O.3     1  FRG1       -0.3803
      9  O1        -0.6060   -0.5510    0.0810 O.3     1  FRG1       -0.4661
     10  C2         0.1230   -0.0800    1.1370 C.2     1  FRG1        0.3360
     11  O3        -0.3140    0.1400    2.2600 O.2     1  FRG1       -0.2479
     12  C4        -1.9900   -0.7970    0.3470 C.3     1  FRG1        0.0817
     13 H           1.1461    1.0421   -1.1433 H       1  FRG1        0.0331
     14 H          -0.0713    2.3168    0.5056 H       1  FRG1        0.0269
     15 H           1.4450    2.7846    1.2753 H       1  FRG1        0.0269
     16 H           0.5267    3.5536   -1.4718 H       1  FRG1        0.0265
     17 H           0.6689    4.6018   -0.0611 H       1  FRG1        0.0265
     18 H           2.5439    4.8514   -1.6497 H       1  FRG1        0.0265
     19 H           3.0375    4.3392   -0.0370 H       1  FRG1        0.0265
     20 H           4.2567    3.0701   -1.6723 H       1  FRG1        0.0265
     21 H           2.7461    2.5952   -2.4486 H       1  FRG1        0.0265
     22 H           3.6589    1.8268    0.3005 H       1  FRG1        0.0269
     23 H           3.5254    0.7801   -1.1124 H       1  FRG1        0.0269
     24 H           1.9747   -0.7559    0.2692 H       1  FRG1        0.0713
     25 H           1.9030    1.3199    2.2722 H       1  FRG1        0.2105
     26 H          -2.4646   -1.1607   -0.5404 H       1  FRG1        0.0661
     27 H          -2.4610    0.1127    0.6561 H       1  FRG1        0.0661
     28 H          -2.0796   -1.5270    1.1242 H       1  FRG1        0.0661
@<TRIPOS>BOND
     1     5     4    1
     2     5     6    1
     3     4     3    1
     4     6     1    1
     5     3     2    1
     6     1     2    1
     7     1     7    1
     8     9    12    1
     9     9    10    1
    10     7    10    1
    11     7     8    1
    12    10    11    2
    13     1    13    1
    14     2    14    1
    15     2    15    1
    16     3    16    1
    17     3    17    1
    18     4    18    1
    19     4    19    1
    20     5    20    1
    21     5    21    1
    22     6    22    1
    23     6    23    1
    24     7    24    1
    25     8    25    1
    26    12    26    1
    27    12    27    1
    28    12    28    1