COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.022  -1.576  -0.590  1.00  0.00           C  
HETATM    2  C   UNL     1       4.257  -0.049  -1.697  1.00  0.00           C  
HETATM    3  C   UNL     1       5.381  -0.097  -2.497  1.00  0.00           C  
HETATM    4  C   UNL     1       6.640  -0.126  -1.924  1.00  0.00           C  
HETATM    5  C   UNL     1       6.780  -0.108  -0.548  1.00  0.00           C  
HETATM    6  C   UNL     1       5.663  -0.060   0.261  1.00  0.00           C  
HETATM    7  C   UNL     1       2.258   1.052   0.396  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.107   0.965  -0.282  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.941  -0.155  -0.324  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.402   0.006  -0.205  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.633  -0.841  -0.123  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.196  -0.457  -0.554  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.388  -1.429  -0.479  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.743   0.811  -0.399  1.00  0.00           C  
HETATM   15  C   UNL     1       1.135   1.095   1.207  1.00  0.00           C  
HETATM   16  C   UNL     1       0.941   0.119   2.179  1.00  0.00           C  
HETATM   17  C   UNL     1       1.866  -0.896   2.340  1.00  0.00           C  
HETATM   18  C   UNL     1       2.990  -0.946   1.535  1.00  0.00           C  
HETATM   19  C   UNL     1       3.188   0.026   0.554  1.00  0.00           C  
HETATM   20  C   UNL     1       4.392  -0.025  -0.311  1.00  0.00           C  
HETATM   21  F   UNL     1      -0.155   0.164   2.969  1.00  0.00           F  
HETATM   22  F   UNL     1       3.892  -1.938   1.695  1.00  0.00           F  
HETATM   23  N   UNL     1       0.197   2.122   1.047  1.00  0.00           N  
HETATM   24  O   UNL     1       0.148  -0.604  -0.669  1.00  0.00           O  
HETATM   25  O   UNL     1       0.229   2.077  -1.420  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.541   3.352  -0.201  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.882   1.114  -0.071  1.00  0.00           O  
HETATM   28  O   UNL     1      -6.205  -1.075  -0.246  1.00  0.00           O  
HETATM   29  S   UNL     1      -0.691   2.223  -0.347  1.00  0.00           S  
HETATM   30 CL   UNL     1      -1.332  -3.157  -0.783  1.00  0.00          Cl  
HETATM   31  H   UNL     1       3.275  -0.025  -2.146  1.00  0.00           H  
HETATM   32  H   UNL     1       5.277  -0.111  -3.572  1.00  0.00           H  
HETATM   33  H   UNL     1       7.516  -0.164  -2.554  1.00  0.00           H  
HETATM   34  H   UNL     1       7.765  -0.132  -0.106  1.00  0.00           H  
HETATM   35  H   UNL     1       5.773  -0.047   1.335  1.00  0.00           H  
HETATM   36  H   UNL     1       2.410   1.809  -0.359  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.531   1.951  -0.163  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.967  -0.198  -0.937  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.163  -1.793  -0.171  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.841  -0.357   0.832  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.029  -2.298  -0.512  1.00  0.00           H  
HETATM   42  H   UNL     1       1.711  -1.652   3.096  1.00  0.00           H  
HETATM   43  H   UNL     1       0.066   2.774   1.753  1.00  0.00           H  
HETATM   44  H   UNL     1       0.463  -0.646  -1.582  1.00  0.00           H  
CONECT    1   13   30   12   12                                       
CONECT    2    3    3   20   31                                       
CONECT    3    4    2    2   32                                       
CONECT    4    5    5    3   33                                       
CONECT    5    4    4    6   34                                       
CONECT    6    5   20   20   35                                       
CONECT    7   19   15   15   36                                       
CONECT    8    9   14   14   37                                       
CONECT    9   10   13   13    8                                       
CONECT   10   27   27   28    9                                       
CONECT   11   28   38   39   40                                       
CONECT   12    1    1   14   24                                       
CONECT   13    9    9    1   41                                       
CONECT   14    8    8   12   29                                       
CONECT   15    7    7   16   23                                       
CONECT   16   17   17   15   21                                       
CONECT   17   18   16   16   42                                       
CONECT   18   22   19   19   17                                       
CONECT   19   20   18   18    7                                       
CONECT   20    6    6    2   19                                       
CONECT   21   16                                                      
CONECT   22   18                                                      
CONECT   23   15   29   43                                            
CONECT   24   12   44                                                 
CONECT   25   29   29                                                 
CONECT   26   29   29                                                 
CONECT   27   10   10                                                 
CONECT   28   11   10                                                 
CONECT   29   14   25   25   23                                       
CONECT   29   26   26                                                 
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   17                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
