COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1       6.237  -3.507  -0.739  1.00  0.00          Cl  
HETATM    2  C   UNL     1       5.445  -2.016  -0.338  1.00  0.00           C  
HETATM    3  C   UNL     1       6.034  -0.809  -0.672  1.00  0.00           C  
HETATM    4  C   UNL     1       5.406   0.379  -0.353  1.00  0.00           C  
HETATM    5  C   UNL     1       6.048   1.693  -0.717  1.00  0.00           C  
HETATM    6  C   UNL     1       6.835   2.210   0.459  1.00  0.00           C  
HETATM    7  C   UNL     1       8.104   2.506   0.319  1.00  0.00           C  
HETATM    8  C   UNL     1       4.183   0.362   0.302  1.00  0.00           C  
HETATM    9  O   UNL     1       3.564   1.531   0.616  1.00  0.00           O  
HETATM   10  C   UNL     1       2.667   2.071  -0.356  1.00  0.00           C  
HETATM   11  C   UNL     1       2.079   3.358   0.163  1.00  0.00           C  
HETATM   12  C   UNL     1       2.005   4.406  -0.618  1.00  0.00           C  
HETATM   13  C   UNL     1       4.223  -2.034   0.311  1.00  0.00           C  
HETATM   14  C   UNL     1       3.594  -0.849   0.636  1.00  0.00           C  
HETATM   15  C   UNL     1       2.263  -0.870   1.342  1.00  0.00           C  
HETATM   16  N   UNL     1       1.188  -0.645   0.367  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.128  -0.659   1.021  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.220  -0.421  -0.024  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.590  -0.436   0.658  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.635  -0.209  -0.343  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.930  -0.180   0.030  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.230  -0.343   1.197  1.00  0.00           O  
HETATM   23  N   UNL     1      -5.892   0.029  -0.891  1.00  0.00           N  
HETATM   24  C   UNL     1      -7.249  -0.054  -0.522  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.686  -0.808   0.557  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.003  -0.776   0.767  1.00  0.00           C  
HETATM   27  S   UNL     1      -9.771   0.248  -0.438  1.00  0.00           S  
HETATM   28  C   UNL     1      -8.216   0.593  -1.183  1.00  0.00           C  
HETATM   29  H   UNL     1       6.986  -0.797  -1.182  1.00  0.00           H  
HETATM   30  H   UNL     1       6.716   1.548  -1.566  1.00  0.00           H  
HETATM   31  H   UNL     1       5.275   2.414  -0.982  1.00  0.00           H  
HETATM   32  H   UNL     1       6.354   2.338   1.417  1.00  0.00           H  
HETATM   33  H   UNL     1       8.668   2.876   1.162  1.00  0.00           H  
HETATM   34  H   UNL     1       8.586   2.378  -0.639  1.00  0.00           H  
HETATM   35  H   UNL     1       3.208   2.266  -1.281  1.00  0.00           H  
HETATM   36  H   UNL     1       1.866   1.357  -0.548  1.00  0.00           H  
HETATM   37  H   UNL     1       1.718   3.415   1.180  1.00  0.00           H  
HETATM   38  H   UNL     1       2.365   4.349  -1.634  1.00  0.00           H  
HETATM   39  H   UNL     1       1.583   5.328  -0.246  1.00  0.00           H  
HETATM   40  H   UNL     1       3.762  -2.977   0.567  1.00  0.00           H  
HETATM   41  H   UNL     1       2.122  -1.838   1.822  1.00  0.00           H  
HETATM   42  H   UNL     1       2.240  -0.083   2.097  1.00  0.00           H  
HETATM   43  H   UNL     1       1.228  -1.323  -0.379  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.286  -1.626   1.499  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.168   0.129   1.774  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.062   0.546  -0.501  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.180  -1.209  -0.776  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.747  -1.403   1.135  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.629   0.352   1.410  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.396  -0.079  -1.274  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.650   0.236  -1.807  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.012  -1.378   1.179  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.519  -1.301   1.558  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.065   1.226  -2.045  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2   13    1    3    3                                       
CONECT    3    2    2    4   29                                       
CONECT    4    8    8    5    3                                       
CONECT    5    4    6   30   31                                       
CONECT    6    5    7    7   32                                       
CONECT    7    6    6   33   34                                       
CONECT    8   14    9    4    4                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   35   36                                       
CONECT   11   12   12   10   37                                       
CONECT   12   11   11   38   39                                       
CONECT   13   14   14    2   40                                       
CONECT   14   15   13   13    8                                       
CONECT   15   16   14   41   42                                       
CONECT   16   17   15   43                                            
CONECT   17   18   16   44   45                                       
CONECT   18   19   17   46   47                                       
CONECT   19   20   18   48   49                                       
CONECT   20   21   19   50                                            
CONECT   21   23   22   22   20                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   51                                            
CONECT   24   25   28   28   23                                       
CONECT   25   26   26   24   52                                       
CONECT   26   27   25   25   53                                       
CONECT   27   26   28                                                 
CONECT   28   27   24   24   54                                       
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
