@<TRIPOS>MOLECULE
FDBF00148
 37 38 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  C1         2.5710    3.2890    0.3990 C.3     1  FRG1        0.0421
      2  C5         3.6120    4.3020   -0.0670 C.3     1  FRG1       -0.0552
      3  O1         2.0720    1.0510   -0.1760 O.3     1  FRG1       -0.4606
      4  C2         2.3560    2.2770   -0.7140 C.2     1  FRG1        0.3071
      5  O3         2.4490    2.5280   -1.9080 O.2     1  FRG1       -0.2509
      6  C4         2.1530   -1.4100   -0.2370 C.3     1  FRG1        0.0216
      7  C5         0.6470   -1.5440    0.1350 C.3     1  FRG1       -0.0368
      8  C6         0.3540   -2.9090    0.8250 C.3     1  FRG1       -0.0248
      9  C7         1.3680   -3.2020    1.9000 C.2     1  FRG1       -0.0809
     10  C8         2.5700   -2.6170    1.9660 C.2     1  FRG1       -0.0621
     11  C9         3.0400   -1.6580    0.9830 C.2     1  FRG1       -0.0426
     12  C10        4.2120   -1.0220    1.1620 C.2     1  FRG1       -0.0522
     13  C11        4.7710   -0.0090    0.2040 C.3     1  FRG1        0.0773
     14  C12        4.0220    0.0360   -1.1300 C.3     1  FRG1        0.0146
     15  C13        2.5100   -0.0730   -0.9350 C.3     1  FRG1        0.1125
     16  O24        6.1390   -0.3040   -0.0680 O.3     1  FRG1       -0.3876
     17  C27        0.2820   -4.1040   -0.1310 C.3     1  FRG1       -0.0589
     18 H           2.9205    2.7901    1.2787 H       1  FRG1        0.0375
     19 H           1.6511    3.7854    0.6278 H       1  FRG1        0.0375
     20 H           4.5269    3.7951   -0.2928 H       1  FRG1        0.0235
     21 H           3.7836    5.0193    0.7082 H       1  FRG1        0.0235
     22 H           3.2557    4.8021   -0.9432 H       1  FRG1        0.0235
     23 H           2.3470   -2.1710   -0.9637 H       1  FRG1        0.0385
     24 H           0.0599   -1.4710   -0.7566 H       1  FRG1        0.0278
     25 H           0.3968   -0.7595    0.8183 H       1  FRG1        0.0278
     26 H          -0.6216   -2.7916    1.2486 H       1  FRG1        0.0341
     27 H           1.1220   -3.8926    2.6263 H       1  FRG1        0.0575
     28 H           3.1921   -2.8592    2.7530 H       1  FRG1        0.0617
     29 H           4.7598   -1.2434    2.0082 H       1  FRG1        0.0600
     30 H           4.6613    0.9436    0.6788 H       1  FRG1        0.0639
     31 H           4.2424    0.9613   -1.6201 H       1  FRG1        0.0329
     32 H           4.3425   -0.7971   -1.7201 H       1  FRG1        0.0329
     33 H           2.0104   -0.0700   -1.8812 H       1  FRG1        0.0741
     34 H           6.2036   -1.1715   -0.4971 H       1  FRG1        0.2102
     35 H           1.2406   -4.2596   -0.5802 H       1  FRG1        0.0235
     36 H          -0.4418   -3.9072   -0.8941 H       1  FRG1        0.0235
     37 H          -0.0031   -4.9798    0.4136 H       1  FRG1        0.0235
@<TRIPOS>BOND
     1     5     4    2
     2    14    15    1
     3    14    13    1
     4    15     6    1
     5    15     3    1
     6     4     3    1
     7     4     1    1
     8     6     7    1
     9     6    11    1
    10    17     8    1
    11    16    13    1
    12     2     1    1
    13     7     8    1
    14    13    12    1
    15     8     9    1
    16    11    12    2
    17    11    10    1
    18     9    10    2
    19     1    18    1
    20     1    19    1
    21     2    20    1
    22     2    21    1
    23     2    22    1
    24     6    23    1
    25     7    24    1
    26     7    25    1
    27     8    26    1
    28     9    27    1
    29    10    28    1
    30    12    29    1
    31    13    30    1
    32    14    31    1
    33    14    32    1
    34    15    33    1
    35    16    34    1
    36    17    35    1
    37    17    36    1
    38    17    37    1