@<TRIPOS>MOLECULE
FDBF00627
 30 30 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1        -0.0730    2.2120    0.7640 C.3     1  FRG1       -0.0376
      2  C1         2.3090    0.5880    1.6150 C.3     1  FRG1       -0.0295
      3  C1        -0.0810    3.3800   -0.2310 C.3     1  FRG1       -0.0618
      4  C1         1.7930    1.7710    2.3780 C.2     1  FRG1       -0.0876
      5  C2         0.7300    2.4960    2.0000 C.2     1  FRG1       -0.0882
      6  C1         3.3140    1.0120    0.5540 C.3     1  FRG1       -0.0091
      7  C2         3.9220   -0.1690   -0.2200 C.3     1  FRG1       -0.0213
      8  C3         5.1960    0.4220   -0.8510 C.3     1  FRG1        0.0579
      9  C4         5.5450    1.6780   -0.0360 C.3     1  FRG1       -0.0005
     10  C5         4.5550    1.7020    1.1280 C.3     1  FRG1        0.0608
     11  O12        5.0950    1.0100    2.2480 O.3     1  FRG1       -0.3914
     12  O14        6.2640   -0.5140   -0.7660 O.3     1  FRG1       -0.3917
     13 H           0.3421    1.3538    0.2781 H       1  FRG1        0.0305
     14 H          -1.0847    2.0485    1.0717 H       1  FRG1        0.0305
     15 H           2.7846   -0.0861    2.2964 H       1  FRG1        0.0311
     16 H           1.4831    0.1129    1.1281 H       1  FRG1        0.0311
     17 H           0.9180    3.5734   -0.5621 H       1  FRG1        0.0233
     18 H          -0.4736    4.2531    0.2470 H       1  FRG1        0.0233
     19 H          -0.6929    3.1281   -1.0718 H       1  FRG1        0.0233
     20 H           2.2841    2.0430    3.2439 H       1  FRG1        0.0569
     21 H           0.4485    3.2933    2.5917 H       1  FRG1        0.0569
     22 H           2.7235    1.6578   -0.0617 H       1  FRG1        0.0329
     23 H           4.1628   -0.9747    0.4416 H       1  FRG1        0.0294
     24 H           3.2510   -0.5765   -0.9470 H       1  FRG1        0.0294
     25 H           5.0408    0.6543   -1.8839 H       1  FRG1        0.0594
     26 H           5.4352    2.5559   -0.6377 H       1  FRG1        0.0315
     27 H           6.5584    1.6581    0.3070 H       1  FRG1        0.0315
     28 H           4.3312    2.6843    1.4883 H       1  FRG1        0.0597
     29 H           5.3221    0.1032    1.9890 H       1  FRG1        0.2098
     30 H           6.4229   -0.7397    0.1639 H       1  FRG1        0.2098
@<TRIPOS>BOND
     1     8    12    1
     2     8     7    1
     3     8     9    1
     4     3     1    1
     5     7     6    1
     6     9    10    1
     7     6    10    1
     8     6     2    1
     9     1     5    1
    10    10    11    1
    11     2     4    1
    12     5     4    2
    13     1    13    1
    14     1    14    1
    15     2    15    1
    16     2    16    1
    17     3    17    1
    18     3    18    1
    19     3    19    1
    20     4    20    1
    21     5    21    1
    22     6    22    1
    23     7    23    1
    24     7    24    1
    25     8    25    1
    26     9    26    1
    27     9    27    1
    28    10    28    1
    29    11    29    1
    30    12    30    1