COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.261   0.827  -0.981  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.036   0.546   0.308  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.509   0.300  -0.026  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.296   0.161   1.252  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.874  -2.443   0.084  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.053   1.481  -0.833  1.00  0.00           C  
HETATM    7  C   UNL     1       7.636  -2.328   0.536  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.810   0.512   2.306  1.00  0.00           O  
HETATM    9  N   UNL     1      -5.541  -0.355   1.222  1.00  0.00           N  
HETATM   10  O   UNL     1      -6.281  -0.486   2.422  1.00  0.00           O  
HETATM   11  S   UNL     1      -3.662  -1.222  -1.001  1.00  0.00           S  
HETATM   12  O   UNL     1      -5.041  -1.545  -1.120  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.877  -1.087  -2.177  1.00  0.00           O  
HETATM   14  N   UNL     1       0.119   1.193  -0.652  1.00  0.00           N  
HETATM   15  C   UNL     1       1.189   0.321  -0.523  1.00  0.00           C  
HETATM   16  C   UNL     1       0.581   2.438  -0.424  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.078   3.461  -0.456  1.00  0.00           O  
HETATM   18  O   UNL     1       1.894   2.357  -0.156  1.00  0.00           O  
HETATM   19  C   UNL     1       2.270   1.055  -0.216  1.00  0.00           C  
HETATM   20  C   UNL     1       3.634   0.535   0.016  1.00  0.00           C  
HETATM   21  C   UNL     1       3.887  -0.837  -0.078  1.00  0.00           C  
HETATM   22  F   UNL     1       2.884  -1.691  -0.380  1.00  0.00           F  
HETATM   23  C   UNL     1       4.675   1.412   0.323  1.00  0.00           C  
HETATM   24  C   UNL     1       5.947   0.924   0.533  1.00  0.00           C  
HETATM   25  C   UNL     1       6.195  -0.439   0.440  1.00  0.00           C  
HETATM   26  C   UNL     1       5.163  -1.318   0.140  1.00  0.00           C  
HETATM   27  O   UNL     1       7.451  -0.915   0.648  1.00  0.00           O  
HETATM   28  H   UNL     1      -1.261  -0.065  -1.607  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.736   1.648  -1.519  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.622  -0.336   0.795  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.953   1.403   0.976  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.410  -2.486   1.032  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.899  -3.423  -0.393  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.839  -2.154   0.265  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.483   1.582  -1.757  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.102   1.306  -1.071  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.960   2.395  -0.248  1.00  0.00           H  
HETATM   38  H   UNL     1       7.006  -2.836   1.266  1.00  0.00           H  
HETATM   39  H   UNL     1       7.363  -2.652  -0.468  1.00  0.00           H  
HETATM   40  H   UNL     1       8.681  -2.573   0.725  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.931  -0.636   0.379  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.163  -0.866   2.302  1.00  0.00           H  
HETATM   43  H   UNL     1       1.159  -0.751  -0.647  1.00  0.00           H  
HETATM   44  H   UNL     1       4.484   2.472   0.395  1.00  0.00           H  
HETATM   45  H   UNL     1       6.754   1.603   0.766  1.00  0.00           H  
HETATM   46  H   UNL     1       5.360  -2.377   0.068  1.00  0.00           H  
CONECT    1   14    2   28   29                                       
CONECT    2    1    3   30   31                                       
CONECT    3    2   11    6    4                                       
CONECT    4    3    8    8    9                                       
CONECT    5   11   32   33   34                                       
CONECT    6    3   35   36   37                                       
CONECT    7   27   38   39   40                                       
CONECT    8    4    4                                                 
CONECT    9    4   10   41                                            
CONECT   10    9   42                                                 
CONECT   11   12   12    5    3                                       
CONECT   11   13   13                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   16   15    1                                            
CONECT   15   19   19   14   43                                       
CONECT   16   18   17   17   14                                       
CONECT   17   16   16                                                 
CONECT   18   19   16                                                 
CONECT   19   20   18   15   15                                       
CONECT   20   23   23   21   19                                       
CONECT   21   26   26   20   22                                       
CONECT   22   21                                                      
CONECT   23   24   20   20   44                                       
CONECT   24   25   25   23   45                                       
CONECT   25   27   24   24   26                                       
CONECT   26   25   21   21   46                                       
CONECT   27    7   25                                                 
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   15                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
