COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.075   1.189   1.370  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.099   2.005   0.922  1.00  0.00           C  
HETATM    3  C   UNL     1       5.086   2.243   0.817  1.00  0.00           C  
HETATM    4  C   UNL     1       4.921   2.965  -0.356  1.00  0.00           C  
HETATM    5  C   UNL     1       4.110   2.474  -1.368  1.00  0.00           C  
HETATM    6  C   UNL     1       4.444   1.031   0.980  1.00  0.00           C  
HETATM    7  C   UNL     1       3.629   0.534  -0.035  1.00  0.00           C  
HETATM    8  C   UNL     1       3.465   1.261  -1.211  1.00  0.00           C  
HETATM    9  C   UNL     1       2.111  -1.383  -0.759  1.00  0.00           C  
HETATM   10  C   UNL     1       0.109  -2.261   1.791  1.00  0.00           C  
HETATM   11  N   UNL     1       2.267  -2.615   0.986  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.777  -3.317   1.128  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.204  -2.838  -1.660  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.687  -1.445   2.653  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.067  -1.915  -0.796  1.00  0.00           C  
HETATM   16 CL   UNL     1      -5.871   2.889  -0.926  1.00  0.00          Cl  
HETATM   17  C   UNL     1      -4.587   1.863  -0.367  1.00  0.00           C  
HETATM   18 CL   UNL     1      -4.773   3.208   1.976  1.00  0.00          Cl  
HETATM   19  C   UNL     1      -4.051   0.906  -1.208  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.024   0.086  -0.759  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.537   0.231   0.534  1.00  0.00           C  
HETATM   22  S   UNL     1      -2.339  -1.135  -1.829  1.00  0.00           S  
HETATM   23  O   UNL     1      -1.694  -2.678   0.236  1.00  0.00           O  
HETATM   24  C   UNL     1       0.098  -4.297   0.341  1.00  0.00           C  
HETATM   25  O   UNL     1       1.054  -4.894   1.220  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.033  -3.816  -2.290  1.00  0.00           O  
HETATM   27  C   UNL     1       0.829  -3.538  -0.771  1.00  0.00           C  
HETATM   28  N   UNL     1       1.722  -2.539  -0.177  1.00  0.00           N  
HETATM   29  C   UNL     1       2.937  -0.768   0.138  1.00  0.00           C  
HETATM   30  N   UNL     1       2.996  -1.579   1.209  1.00  0.00           N  
HETATM   31  F   UNL     1       5.881   2.724   1.798  1.00  0.00           F  
HETATM   32  F   UNL     1       5.551   4.150  -0.512  1.00  0.00           F  
HETATM   33  F   UNL     1       3.951   3.180  -2.508  1.00  0.00           F  
HETATM   34  H   UNL     1      -2.694   1.304   2.374  1.00  0.00           H  
HETATM   35  H   UNL     1       4.573   0.469   1.893  1.00  0.00           H  
HETATM   36  H   UNL     1       2.833   0.879  -2.000  1.00  0.00           H  
HETATM   37  H   UNL     1       1.831  -1.021  -1.737  1.00  0.00           H  
HETATM   38  H   UNL     1       0.887  -2.754   2.374  1.00  0.00           H  
HETATM   39  H   UNL     1       0.569  -1.638   1.024  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.332  -3.859   1.893  1.00  0.00           H  
HETATM   41  H   UNL     1       0.310  -2.250  -2.421  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.189  -0.752   3.109  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.440  -1.144  -0.349  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.432   0.795  -2.213  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.738  -0.405   0.885  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.528  -5.074  -0.097  1.00  0.00           H  
HETATM   47  H   UNL     1       0.660  -5.388   1.952  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.713  -3.442  -2.868  1.00  0.00           H  
HETATM   49  H   UNL     1       1.411  -4.238  -1.370  1.00  0.00           H  
CONECT    1   21   21    2   34                                       
CONECT    2    1   18   17   17                                       
CONECT    3    6   31    4    4                                       
CONECT    4    3    3    5   32                                       
CONECT    5    8    8    4   33                                       
CONECT    6    7    7    3   35                                       
CONECT    7   29    6    6    8                                       
CONECT    8    7    5    5   36                                       
CONECT    9   28   29   29   37                                       
CONECT   10   12   14   38   39                                       
CONECT   11   30   30   28                                            
CONECT   12   23   24   10   40                                       
CONECT   13   26   15   27   41                                       
CONECT   14   10   42                                                 
CONECT   15   22   13   23   43                                       
CONECT   16   17                                                      
CONECT   17    2    2   19   16                                       
CONECT   18    2                                                      
CONECT   19   20   20   17   44                                       
CONECT   20   21   22   19   19                                       
CONECT   21    1    1   20   45                                       
CONECT   22   20   15                                                 
CONECT   23   15   12                                                 
CONECT   24   27   12   25   46                                       
CONECT   25   24   47                                                 
CONECT   26   13   48                                                 
CONECT   27   28   13   24   49                                       
CONECT   28   11   27    9                                            
CONECT   29   30    9    9    7                                       
CONECT   30   11   11   29                                            
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    1                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
