@<TRIPOS>MOLECULE
FDBF00623
 27 27 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1         2.3090    0.5880    1.6150 C.3     1  FRG1       -0.0295
      2  C1         1.7930    1.7710    2.3780 C.2     1  FRG1       -0.0878
      3  C2         0.7300    2.4960    2.0000 C.2     1  FRG1       -0.0910
      4  C1        -0.0730    2.2120    0.7640 C.3     1  FRG1       -0.0468
      5  C1         3.3140    1.0120    0.5540 C.3     1  FRG1       -0.0091
      6  C2         3.9220   -0.1690   -0.2200 C.3     1  FRG1       -0.0213
      7  C3         5.1960    0.4220   -0.8510 C.3     1  FRG1        0.0579
      8  C4         5.5450    1.6780   -0.0360 C.3     1  FRG1       -0.0005
      9  C5         4.5550    1.7020    1.1280 C.3     1  FRG1        0.0608
     10  O12        5.0950    1.0100    2.2480 O.3     1  FRG1       -0.3914
     11  O14        6.2640   -0.5140   -0.7660 O.3     1  FRG1       -0.3917
     12 H           2.7846   -0.0861    2.2964 H       1  FRG1        0.0311
     13 H           1.4831    0.1129    1.1281 H       1  FRG1        0.0311
     14 H           2.2841    2.0430    3.2439 H       1  FRG1        0.0569
     15 H           0.4485    3.2933    2.5917 H       1  FRG1        0.0566
     16 H           0.3376    1.3626    0.2593 H       1  FRG1        0.0272
     17 H          -0.0415    3.0621    0.1150 H       1  FRG1        0.0272
     18 H          -1.0875    2.0089    1.0366 H       1  FRG1        0.0272
     19 H           2.7235    1.6578   -0.0617 H       1  FRG1        0.0329
     20 H           4.1628   -0.9747    0.4416 H       1  FRG1        0.0294
     21 H           3.2510   -0.5765   -0.9470 H       1  FRG1        0.0294
     22 H           5.0408    0.6543   -1.8839 H       1  FRG1        0.0594
     23 H           5.4352    2.5559   -0.6377 H       1  FRG1        0.0315
     24 H           6.5584    1.6581    0.3070 H       1  FRG1        0.0315
     25 H           4.3312    2.6843    1.4883 H       1  FRG1        0.0597
     26 H           5.3221    0.1032    1.9890 H       1  FRG1        0.2098
     27 H           6.4229   -0.7397    0.1639 H       1  FRG1        0.2098
@<TRIPOS>BOND
     1     7    11    1
     2     7     6    1
     3     7     8    1
     4     6     5    1
     5     8     9    1
     6     5     9    1
     7     5     1    1
     8     4     3    1
     9     9    10    1
    10     1     2    1
    11     3     2    2
    12     1    12    1
    13     1    13    1
    14     2    14    1
    15     3    15    1
    16     4    16    1
    17     4    17    1
    18     4    18    1
    19     5    19    1
    20     6    20    1
    21     6    21    1
    22     7    22    1
    23     8    23    1
    24     8    24    1
    25     9    25    1
    26    10    26    1
    27    11    27    1