@<TRIPOS>MOLECULE
FDBD00296
 37 37 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1 O           3.0553   -0.6860    0.6222 O.3     1   UNK        -0.3835
      2 O1          2.2673    2.0017    1.3016 O.3     1   UNK        -0.3862
      3 O2          0.5493    3.1465   -0.7261 O.3     1   UNK        -0.3838
      4 O3          2.2211   -2.9930   -0.1639 O.3     1   UNK        -0.3894
      5 N          -0.3964   -0.4629   -0.8366 N.4     1   UNK         0.2428
      6 C           0.9444   -1.0157   -0.5505 C.3     1   UNK         0.0319
      7 C1          1.7093   -0.2145    0.5259 C.3     1   UNK         0.1281
      8 C2          1.7780    1.2749    0.1726 C.3     1   UNK         0.1171
      9 C3          0.4025    1.8300   -0.1926 C.3     1   UNK         0.1231
     10 C4         -0.2993    0.9489   -1.2285 C.3     1   UNK        -0.0023
     11 C5         -1.3727   -0.6562    0.2351 C.3     1   UNK        -0.0314
     12 C6          0.8944   -2.5153   -0.2230 C.3     1   UNK         0.0894
     13 C7         -2.7635   -0.2288   -0.2306 C.3     1   UNK        -0.0128
     14 C8         -3.8045   -0.4429    0.8689 C.3     1   UNK        -0.0511
     15 C9         -5.1854    0.0132    0.4255 C.3     1   UNK        -0.0651
     16 H           3.0520   -1.6299    0.8456 H       1   UNK         0.2102
     17 H1          3.1419    1.6634    1.5496 H       1   UNK         0.2100
     18 H2          0.9937    3.7116   -0.0749 H       1   UNK         0.2101
     19 H3          2.2146   -3.9408    0.0423 H       1   UNK         0.2097
     20 H4         -0.7599   -1.0044   -1.6208 H       1   UNK         0.2039
     21 H5          1.5055   -0.9099   -1.4554 H       1   UNK         0.0901
     22 H6          1.1827   -0.3468    1.4479 H       1   UNK         0.0678
     23 H7          2.4282    1.3828   -0.6703 H       1   UNK         0.0649
     24 H8         -0.1937    1.8489    0.6957 H       1   UNK         0.0674
     25 H9         -1.2893    1.3266   -1.3776 H       1   UNK         0.0841
     26 H10         0.2911    0.9852   -2.1201 H       1   UNK         0.0841
     27 H11        -1.0879   -0.0678    1.0822 H       1   UNK         0.0814
     28 H12        -1.3978   -1.6926    0.5000 H       1   UNK         0.0814
     29 H13         0.4121   -2.6651    0.7203 H       1   UNK         0.0614
     30 H14         0.3428   -3.0416   -0.9737 H       1   UNK         0.0614
     31 H15        -3.0375   -0.8071   -1.0881 H       1   UNK         0.0317
     32 H16        -2.7348    0.8132   -0.4719 H       1   UNK         0.0317
     33 H17        -3.5154    0.1153    1.7348 H       1   UNK         0.0264
     34 H18        -3.8509   -1.4892    1.0880 H       1   UNK         0.0264
     35 H19        -5.1606    1.0591    0.2011 H       1   UNK         0.0230
     36 H20        -5.8896   -0.1665    1.2108 H       1   UNK         0.0230
     37 H21        -5.4779   -0.5320   -0.4475 H       1   UNK         0.0230
@<TRIPOS>BOND
     1     1     7    1
     2     2     8    1
     3     3     9    1
     4     4    12    1
     5     5     6    1
     6     5    10    1
     7     5    11    1
     8     6     7    1
     9     6    12    1
    10     7     8    1
    11     8     9    1
    12     9    10    1
    13    11    13    1
    14    13    14    1
    15    14    15    1
    16     1    16    1
    17     2    17    1
    18     3    18    1
    19     4    19    1
    20     5    20    1
    21     6    21    1
    22     7    22    1
    23     8    23    1
    24     9    24    1
    25    10    25    1
    26    10    26    1
    27    11    27    1
    28    11    28    1
    29    12    29    1
    30    12    30    1
    31    13    31    1
    32    13    32    1
    33    14    33    1
    34    14    34    1
    35    15    35    1
    36    15    36    1
    37    15    37    1