@<TRIPOS>MOLECULE
FDBF00058
 29 29 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  S1         2.5770    0.5190   -1.7560 S.3     1  FRG1       -0.2091
      2  C4         2.8320    2.2740   -2.1060 C.3     1  FRG1       -0.0267
      3  O1        -0.3820    0.9090   -0.8820 O.3     1  FRG1       -0.3705
      4  C2         0.6310    1.5820   -0.1160 C.3     1  FRG1        0.0953
      5  C3         0.0170    1.7960    1.2560 C.3     1  FRG1        0.1099
      6  C4        -1.4300    2.1020    0.9180 C.3     1  FRG1        0.1067
      7  C5        -1.6720    1.2580   -0.3350 C.3     1  FRG1        0.0766
      8  O10        0.6580    2.8300    1.9710 O.3     1  FRG1       -0.3866
      9  O12       -1.6050    3.4810    0.5970 O.3     1  FRG1       -0.3869
     10  C1         1.8960    0.7440   -0.0890 C.3     1  FRG1        0.0136
     11  C1         4.2710    0.1650   -1.2340 C.3     1  FRG1       -0.0180
     12  C1         4.4270   -1.3130   -0.8870 C.3     1  FRG1       -0.0569
     13 H           3.2474    2.3856   -3.0857 H       1  FRG1        0.0333
     14 H           3.5048    2.6876   -1.3841 H       1  FRG1        0.0333
     15 H           1.8947    2.7877   -2.0554 H       1  FRG1        0.0333
     16 H           0.9259    2.5228   -0.5316 H       1  FRG1        0.0630
     17 H           0.1176    0.9565    1.9117 H       1  FRG1        0.0646
     18 H          -2.0949    1.8913    1.7294 H       1  FRG1        0.0643
     19 H          -2.2118    0.3705   -0.0785 H       1  FRG1        0.0586
     20 H          -2.2484    1.8054   -1.0513 H       1  FRG1        0.0586
     21 H           0.6222    3.6504    1.4547 H       1  FRG1        0.2100
     22 H          -1.0185    3.7188   -0.1381 H       1  FRG1        0.2100
     23 H           2.6252    1.2340    0.5217 H       1  FRG1        0.0395
     24 H           1.6533   -0.2193    0.3084 H       1  FRG1        0.0395
     25 H           4.5044    0.7552   -0.3726 H       1  FRG1        0.0366
     26 H           4.9369    0.4036   -2.0368 H       1  FRG1        0.0366
     27 H           3.7649   -1.5627   -0.0844 H       1  FRG1        0.0237
     28 H           5.4367   -1.5048   -0.5893 H       1  FRG1        0.0237
     29 H           4.1888   -1.9077   -1.7440 H       1  FRG1        0.0237
@<TRIPOS>BOND
     1     2     1    1
     2     1    11    1
     3     1    10    1
     4    11    12    1
     5     3     7    1
     6     3     4    1
     7     7     6    1
     8     4    10    1
     9     4     5    1
    10     9     6    1
    11     6     5    1
    12     5     8    1
    13     2    13    1
    14     2    14    1
    15     2    15    1
    16     4    16    1
    17     5    17    1
    18     6    18    1
    19     7    19    1
    20     7    20    1
    21     8    21    1
    22     9    22    1
    23    10    23    1
    24    10    24    1
    25    11    25    1
    26    11    26    1
    27    12    27    1
    28    12    28    1
    29    12    29    1