@<TRIPOS>MOLECULE
FDBF00455
 36 37 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1        -0.8860    0.6400    0.0840 C.3     1  FRG1       -0.0612
      2  O1         2.0840   -0.8700    0.0290 O.3     1  FRG1       -0.4629
      3  C2         2.4290   -2.1300    0.4400 C.2     1  FRG1        0.2945
      4  O3         2.6190   -2.4730    1.5990 O.2     1  FRG1       -0.2546
      5  C4         1.5240    1.4650    0.4640 C.3     1  FRG1        0.0240
      6  C5         0.3210    1.3660   -0.5210 C.3     1  FRG1       -0.0277
      7  C6        -0.0710    2.7670   -1.0760 C.3     1  FRG1       -0.0222
      8  C7         1.1470    3.5270   -1.5320 C.2     1  FRG1       -0.0806
      9  C8         2.3940    3.2390   -1.1370 C.2     1  FRG1       -0.0621
     10  C9         2.7010    2.1800   -0.1920 C.2     1  FRG1       -0.0445
     11  C10        3.9810    1.8650    0.0810 C.2     1  FRG1       -0.0775
     12  C11        4.4120    0.7940    1.0470 C.3     1  FRG1       -0.0218
     13  C12        3.2400    0.2200    1.8630 C.3     1  FRG1       -0.0091
     14  C13        1.9410    0.1010    1.0610 C.3     1  FRG1        0.1103
     15  C25       -0.8660    3.6390   -0.0990 C.3     1  FRG1       -0.0587
     16  C29        5.1880   -0.2960    0.3040 C.3     1  FRG1       -0.0588
     17 H          -1.6773    0.6030   -0.6353 H       1  FRG1        0.0233
     18 H          -1.2193    1.1661    0.9541 H       1  FRG1        0.0233
     19 H          -0.6039   -0.3558    0.3555 H       1  FRG1        0.0233
     20 H           2.5380   -2.8514   -0.2898 H       1  FRG1        0.1512
     21 H           1.1931    2.0515    1.2955 H       1  FRG1        0.0387
     22 H           0.6485    0.7652   -1.3436 H       1  FRG1        0.0311
     23 H          -0.7181    2.5591   -1.9024 H       1  FRG1        0.0343
     24 H           1.0131    4.3142   -2.1858 H       1  FRG1        0.0575
     25 H           3.1730    3.7957   -1.5222 H       1  FRG1        0.0617
     26 H           4.7195    2.3957   -0.4068 H       1  FRG1        0.0578
     27 H           5.0636    1.2443    1.7664 H       1  FRG1        0.0342
     28 H           3.0637    0.8617    2.7009 H       1  FRG1        0.0307
     29 H           3.5180   -0.7689    2.1623 H       1  FRG1        0.0307
     30 H           1.1678   -0.2156    1.7294 H       1  FRG1        0.0740
     31 H          -0.2555    3.8732    0.7480 H       1  FRG1        0.0235
     32 H          -1.7370    3.1086    0.2249 H       1  FRG1        0.0235
     33 H          -1.1607    4.5442   -0.5875 H       1  FRG1        0.0235
     34 H           4.5498   -0.7572   -0.4205 H       1  FRG1        0.0235
     35 H           5.5254   -1.0328    1.0027 H       1  FRG1        0.0235
     36 H           6.0313    0.1400   -0.1896 H       1  FRG1        0.0235
@<TRIPOS>BOND
     1     8     9    2
     2     8     7    1
     3     9    10    1
     4     7     6    1
     5     7    15    1
     6     6     1    1
     7     6     5    1
     8    10    11    2
     9    10     5    1
    10     2     3    1
    11     2    14    1
    12    11    12    1
    13    16    12    1
    14     3     4    2
    15     5    14    1
    16    12    13    1
    17    14    13    1
    18     1    17    1
    19     1    18    1
    20     1    19    1
    21     3    20    1
    22     5    21    1
    23     6    22    1
    24     7    23    1
    25     8    24    1
    26     9    25    1
    27    11    26    1
    28    12    27    1
    29    13    28    1
    30    13    29    1
    31    14    30    1
    32    15    31    1
    33    15    32    1
    34    15    33    1
    35    16    34    1
    36    16    35    1
    37    16    36    1