@<TRIPOS>MOLECULE
FDBF00410
 38 39 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  N1        -1.7690    0.7780    0.8070 N.4     1  FRG1        0.2373
      2  C2        -2.1420    2.1920    0.6450 C.3     1  FRG1       -0.0287
      3  C3        -3.2810    2.6510    1.5730 C.3     1  FRG1        0.0022
      4  C4        -4.5320    1.7710    1.3930 C.3     1  FRG1       -0.0286
      5  C5        -4.1590    0.2810    1.4950 C.3     1  FRG1       -0.0092
      6  C6        -2.9150   -0.1330    0.6940 C.3     1  FRG1       -0.0315
      7  C10       -5.2990    2.0980    0.1010 C.3     1  FRG1       -0.0496
      8  C11       -5.6380    3.5820    0.0060 C.3     1  FRG1       -0.0528
      9  C12       -4.3850    4.4440    0.1110 C.3     1  FRG1       -0.0526
     10  C13       -3.6080    4.1420    1.3890 C.3     1  FRG1       -0.0451
     11  C1         1.1840    0.0660    0.7600 C.3     1  FRG1       -0.0339
     12  C1        -1.0200    0.5490    2.0430 C.3     1  FRG1       -0.0055
     13  C1         0.4750    0.8600    1.8820 C.3     1  FRG1        0.0921
     14  O3         1.1300    0.5920    3.1230 O.3     1  FRG1       -0.3868
     15 H          -1.1495    0.5595    0.0267 H       1  FRG1        0.2034
     16 H          -2.4517    2.3441   -0.3679 H       1  FRG1        0.0817
     17 H          -1.2801    2.7705    0.9045 H       1  FRG1        0.0817
     18 H          -2.9392    2.5309    2.5798 H       1  FRG1        0.0355
     19 H          -5.2078    1.9946    2.1919 H       1  FRG1        0.0307
     20 H          -3.9815    0.0530    2.5252 H       1  FRG1        0.0320
     21 H          -4.9796   -0.2622    1.0750 H       1  FRG1        0.0320
     22 H          -2.6061   -1.0983    1.0371 H       1  FRG1        0.0814
     23 H          -3.2058   -0.1193   -0.3356 H       1  FRG1        0.0814
     24 H          -4.6948    1.8259   -0.7391 H       1  FRG1        0.0268
     25 H          -6.2158    1.5464    0.1089 H       1  FRG1        0.0268
     26 H          -6.3054    3.8387    0.8019 H       1  FRG1        0.0265
     27 H          -6.0946    3.7640   -0.9444 H       1  FRG1        0.0265
     28 H          -4.6708    5.4751    0.1126 H       1  FRG1        0.0265
     29 H          -3.7549    4.2263   -0.7260 H       1  FRG1        0.0265
     30 H          -4.1926    4.4657    2.2247 H       1  FRG1        0.0270
     31 H          -2.6751    4.6614    1.3191 H       1  FRG1        0.0270
     32 H           0.7004    0.2601   -0.1746 H       1  FRG1        0.0256
     33 H           1.1336   -0.9805    0.9771 H       1  FRG1        0.0256
     34 H           2.2085    0.3691    0.7012 H       1  FRG1        0.0256
     35 H          -1.1298   -0.4767    2.3273 H       1  FRG1        0.0840
     36 H          -1.4130    1.2051    2.7913 H       1  FRG1        0.0840
     37 H           0.5397    1.8899    1.5992 H       1  FRG1        0.0644
     38 H           1.0449   -0.3503    3.3366 H       1  FRG1        0.2100
@<TRIPOS>BOND
     1     8     7    1
     2     8     9    1
     3     7     4    1
     4     9    10    1
     5     2     1    1
     6     2     3    1
     7     6     1    1
     8     6     5    1
     9    11    13    1
    10     1    12    1
    11    10     3    1
    12     4     5    1
    13     4     3    1
    14    13    12    1
    15    13    14    1
    16     1    15    1
    17     2    16    1
    18     2    17    1
    19     3    18    1
    20     4    19    1
    21     5    20    1
    22     5    21    1
    23     6    22    1
    24     6    23    1
    25     7    24    1
    26     7    25    1
    27     8    26    1
    28     8    27    1
    29     9    28    1
    30     9    29    1
    31    10    30    1
    32    10    31    1
    33    11    32    1
    34    11    33    1
    35    11    34    1
    36    12    35    1
    37    12    36    1
    38    13    37    1
    39    14    38    1