@<TRIPOS>MOLECULE
FDBF02460
 28 29 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1        -2.5290   -1.1690   -0.0350 C.2     1  FRG1       -0.0853
      2  C2        -3.0350   -0.6130    1.0760 C.2     1  FRG1       -0.1023
      3  C1        -0.3120   -1.0930   -1.2490 C.3     1  FRG1       -0.0256
      4  C2         0.8320   -2.0920   -1.4450 C.3     1  FRG1       -0.0313
      5  C3         0.2270   -3.4700   -1.1690 C.3     1  FRG1       -0.0229
      6  C4        -1.1350   -3.2160   -0.5070 C.3     1  FRG1        0.0620
      7  C5        -1.1470   -1.7310   -0.1290 C.3     1  FRG1        0.0062
      8  C10        1.8940   -1.6710   -0.4220 C.3     1  FRG1       -0.0288
      9  C11        1.6760   -0.1920   -0.2810 C.2     1  FRG1       -0.0760
     10  C12        0.3690    0.2260   -0.8950 C.3     1  FRG1       -0.0283
     11  C15        2.5350    0.6470    0.3080 C.2     1  FRG1       -0.0994
     12  O21       -1.2720   -4.0400    0.6410 O.3     1  FRG1       -0.3912
     13 H          -3.1288   -1.2112   -0.8737 H       1  FRG1        0.0570
     14 H          -2.4609   -0.5554    1.9317 H       1  FRG1        0.0532
     15 H          -3.9983   -0.2429    1.0751 H       1  FRG1        0.0532
     16 H          -0.9580   -0.8907   -2.0776 H       1  FRG1        0.0313
     17 H           1.2800   -2.1182   -2.4163 H       1  FRG1        0.0308
     18 H           0.8604   -4.0281   -0.5116 H       1  FRG1        0.0293
     19 H           0.1224   -4.0372   -2.0703 H       1  FRG1        0.0293
     20 H          -1.9515   -3.4489   -1.1581 H       1  FRG1        0.0599
     21 H          -0.7488   -1.5413    0.8458 H       1  FRG1        0.0371
     22 H           2.8788   -1.8798   -0.7847 H       1  FRG1        0.0313
     23 H           1.8099   -2.1956    0.5068 H       1  FRG1        0.0313
     24 H          -0.2193    0.7818   -0.1951 H       1  FRG1        0.0313
     25 H           0.4986    0.8633   -1.7447 H       1  FRG1        0.0313
     26 H           2.3149    1.6535    0.3668 H       1  FRG1        0.0534
     27 H           3.4179    0.2878    0.7037 H       1  FRG1        0.0534
     28 H          -0.5466   -3.8574    1.2585 H       1  FRG1        0.2098
@<TRIPOS>BOND
     1     4     3    1
     2     4     5    1
     3     4     8    1
     4     3    10    1
     5     3     7    1
     6     5     6    1
     7    10     9    1
     8     6     7    1
     9     6    12    1
    10     8     9    1
    11     9    11    2
    12     7     1    1
    13     1     2    2
    14     1    13    1
    15     2    14    1
    16     2    15    1
    17     3    16    1
    18     4    17    1
    19     5    18    1
    20     5    19    1
    21     6    20    1
    22     7    21    1
    23     8    22    1
    24     8    23    1
    25    10    24    1
    26    10    25    1
    27    11    26    1
    28    11    27    1
    29    12    28    1