COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.411   2.671  -1.366  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.109   3.078  -0.269  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.830   4.379  -0.090  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.052   2.127   0.898  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.401   0.778   0.447  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.655   0.212   0.508  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.884   0.673   0.969  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.993  -0.139   0.902  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.900  -1.425   0.375  1.00  0.00           C  
HETATM   10  O   UNL     1      -8.007  -2.214   0.317  1.00  0.00           O  
HETATM   11  C   UNL     1      -9.226  -1.658   0.814  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.693  -1.903  -0.088  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.555  -1.088  -0.026  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.204  -1.276  -0.406  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.529  -0.133  -0.116  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.097   0.096  -0.359  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.572   1.125   0.024  1.00  0.00           O  
HETATM   18  N   UNL     1      -0.366  -0.834  -1.005  1.00  0.00           N  
HETATM   19  S   UNL     1       1.270  -0.634  -1.169  1.00  0.00           S  
HETATM   20  O   UNL     1       1.690  -1.772  -1.910  1.00  0.00           O  
HETATM   21  O   UNL     1       1.412   0.678  -1.697  1.00  0.00           O  
HETATM   22  C   UNL     1       1.907  -0.709   0.528  1.00  0.00           C  
HETATM   23  C   UNL     1       3.404  -0.538   0.511  1.00  0.00           C  
HETATM   24  C   UNL     1       4.225  -1.644   0.394  1.00  0.00           C  
HETATM   25  C   UNL     1       5.598  -1.487   0.378  1.00  0.00           C  
HETATM   26  C   UNL     1       6.151  -0.224   0.478  1.00  0.00           C  
HETATM   27  C   UNL     1       7.648  -0.053   0.461  1.00  0.00           C  
HETATM   28  F   UNL     1       7.997   1.072   1.216  1.00  0.00           F  
HETATM   29  F   UNL     1       8.253  -1.188   1.010  1.00  0.00           F  
HETATM   30  F   UNL     1       8.083   0.117  -0.858  1.00  0.00           F  
HETATM   31  C   UNL     1       5.330   0.882   0.593  1.00  0.00           C  
HETATM   32  C   UNL     1       3.957   0.726   0.605  1.00  0.00           C  
HETATM   33  H   UNL     1      -2.884   4.951  -0.867  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.044   2.122   1.313  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.758   2.448   1.664  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.967   1.669   1.380  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.945   0.225   1.262  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.106  -1.399   1.865  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.475  -0.762   0.245  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.028  -2.389   0.709  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.624  -2.900  -0.496  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.786  -2.167  -0.851  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.798  -1.620  -1.375  1.00  0.00           H  
HETATM   44  H   UNL     1       1.457   0.087   1.120  1.00  0.00           H  
HETATM   45  H   UNL     1       1.657  -1.675   0.967  1.00  0.00           H  
HETATM   46  H   UNL     1       3.793  -2.631   0.316  1.00  0.00           H  
HETATM   47  H   UNL     1       6.240  -2.351   0.288  1.00  0.00           H  
HETATM   48  H   UNL     1       5.761   1.869   0.671  1.00  0.00           H  
HETATM   49  H   UNL     1       3.315   1.590   0.692  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   33                                                 
CONECT    4    5    2   34   35                                       
CONECT    5    6    4   15                                            
CONECT    6    7    7   13    5                                       
CONECT    7    8    6    6   36                                       
CONECT    8    9    9    7   37                                       
CONECT    9   10    8    8   12                                       
CONECT   10   11    9                                                 
CONECT   11   10   38   39   40                                       
CONECT   12    9   13   13   41                                       
CONECT   13   12   12    6   14                                       
CONECT   14   13   15   15   42                                       
CONECT   15    5   14   14   16                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   43                                            
CONECT   19   18   20   20   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23   44   45                                       
CONECT   23   22   32   32   24                                       
CONECT   24   23   25   25   46                                       
CONECT   25   24   24   26   47                                       
CONECT   26   31   31   25   27                                       
CONECT   27   26   30   28   29                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   32   26   26   48                                       
CONECT   32   23   23   31   49                                       
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   18                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   31                                                      
CONECT   49   32                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
