COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -1.567   1.291  -2.395  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -1.961   3.309  -0.635  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.085   3.840   0.635  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.962   3.024   1.745  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.715   1.674   1.587  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.591   1.136   0.313  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.714   1.959  -0.800  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.340  -0.232   0.150  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.267  -1.236   0.031  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.604  -2.366  -0.105  1.00  0.00           N  
HETATM   11  N   UNL     1      -0.339  -2.142  -0.078  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.114  -0.848   0.071  1.00  0.00           C  
HETATM   13  C   UNL     1       1.193  -0.195   0.141  1.00  0.00           C  
HETATM   14  C   UNL     1       2.324  -0.932   0.048  1.00  0.00           C  
HETATM   15  C   UNL     1       3.630  -0.280   0.118  1.00  0.00           C  
HETATM   16  N   UNL     1       3.851   1.012   0.270  1.00  0.00           N  
HETATM   17  N   UNL     1       5.119   1.228   0.288  1.00  0.00           N  
HETATM   18  C   UNL     1       5.759   0.086   0.149  1.00  0.00           C  
HETATM   19  C   UNL     1       7.223  -0.094   0.119  1.00  0.00           C  
HETATM   20  C   UNL     1       8.067   1.013   0.246  1.00  0.00           C  
HETATM   21  C   UNL     1       9.423   0.846   0.218  1.00  0.00           C  
HETATM   22  C   UNL     1       9.966  -0.434   0.064  1.00  0.00           C  
HETATM   23  C   UNL     1       9.122  -1.541  -0.063  1.00  0.00           C  
HETATM   24  C   UNL     1       7.766  -1.374  -0.029  1.00  0.00           C  
HETATM   25  C   UNL     1      11.387  -0.609   0.035  1.00  0.00           C  
HETATM   26  N   UNL     1      12.514  -0.749   0.012  1.00  0.00           N  
HETATM   27  O   UNL     1       4.833  -0.889   0.045  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.736  -1.079   0.051  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.554  -2.202  -0.077  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.928  -2.038  -0.056  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.441  -0.757   0.092  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.571   0.313   0.214  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.268   0.131   0.197  1.00  0.00           N  
HETATM   34  S   UNL     1      -8.183  -0.494   0.124  1.00  0.00           S  
HETATM   35  O   UNL     1      -8.344   0.842  -0.331  1.00  0.00           O  
HETATM   36  O   UNL     1      -8.715  -1.588  -0.610  1.00  0.00           O  
HETATM   37  C   UNL     1      -8.628  -0.628   1.878  1.00  0.00           C  
HETATM   38  H   UNL     1      -2.062   3.948  -1.500  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.278   4.895   0.762  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.058   3.442   2.736  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.619   1.037   2.454  1.00  0.00           H  
HETATM   42  H   UNL     1       1.256   0.876   0.267  1.00  0.00           H  
HETATM   43  H   UNL     1       2.261  -2.003  -0.079  1.00  0.00           H  
HETATM   44  H   UNL     1       7.648   2.001   0.364  1.00  0.00           H  
HETATM   45  H   UNL     1      10.075   1.701   0.315  1.00  0.00           H  
HETATM   46  H   UNL     1       9.542  -2.529  -0.183  1.00  0.00           H  
HETATM   47  H   UNL     1       7.115  -2.230  -0.127  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.122  -3.185  -0.191  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.587  -2.888  -0.153  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.968   1.311   0.329  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.092   0.131   2.448  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.702  -0.477   1.992  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.359  -1.618   2.247  1.00  0.00           H  
CONECT    1    7                                                      
CONECT    2    3    3    7   38                                       
CONECT    3    2    2    4   39                                       
CONECT    4    3    5    5   40                                       
CONECT    5    4    4    6   41                                       
CONECT    6    5    7    7    8                                       
CONECT    7    1    2    6    6                                       
CONECT    8    6    9   12                                            
CONECT    9    8   28   10   10                                       
CONECT   10    9    9   11                                            
CONECT   11   10   12   12                                            
CONECT   12    8   11   11   13                                       
CONECT   13   12   14   14   42                                       
CONECT   14   13   13   15   43                                       
CONECT   15   14   27   16   16                                       
CONECT   16   15   15   17                                            
CONECT   17   16   18   18                                            
CONECT   18   17   17   19   27                                       
CONECT   19   18   24   24   20                                       
CONECT   20   19   21   21   44                                       
CONECT   21   20   20   22   45                                       
CONECT   22   21   25   23   23                                       
CONECT   23   22   22   24   46                                       
CONECT   24   19   19   23   47                                       
CONECT   25   22   26   26   26                                       
CONECT   26   25   25   25                                            
CONECT   27   15   18                                                 
CONECT   28    9   29   29   33                                       
CONECT   29   28   28   30   48                                       
CONECT   30   29   31   31   49                                       
CONECT   31   30   30   34   32                                       
CONECT   32   31   33   33   50                                       
CONECT   33   28   32   32                                            
CONECT   34   31   37   35   35                                       
CONECT   34   36   36                                                 
CONECT   35   34   34                                                 
CONECT   36   34   34                                                 
CONECT   37   34   51   52   53                                       
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   32                                                      
CONECT   51   37                                                      
CONECT   52   37                                                      
CONECT   53   37                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
