COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      16.622  62.153   7.330  1.00  0.00          Cl  
HETATM    2  C   UNL     1      15.458  63.366   6.887  1.00  0.00           C  
HETATM    3  C   UNL     1      14.786  64.249   7.705  1.00  0.00           C  
HETATM    4  C   UNL     1      13.894  65.082   6.971  1.00  0.00           C  
HETATM    5  S   UNL     1      15.016  63.514   5.222  1.00  0.00           S  
HETATM    6  C   UNL     1      13.917  64.785   5.612  1.00  0.00           C  
HETATM    7  C   UNL     1      13.184  65.411   4.523  1.00  0.00           C  
HETATM    8  O   UNL     1      13.429  65.177   3.326  1.00  0.00           O  
HETATM    9  N   UNL     1      12.121  66.229   4.815  1.00  0.00           N  
HETATM   10  C   UNL     1      11.390  66.873   3.707  1.00  0.00           C  
HETATM   11  C   UNL     1      10.504  67.974   4.288  1.00  0.00           C  
HETATM   12  F   UNL     1      11.030  69.226   4.011  1.00  0.00           F  
HETATM   13  C   UNL     1       9.133  67.743   3.662  1.00  0.00           C  
HETATM   14  C   UNL     1      10.464  65.913   2.974  1.00  0.00           C  
HETATM   15  N   UNL     1       9.105  66.295   3.412  1.00  0.00           N  
HETATM   16  C   UNL     1       8.145  65.995   2.358  1.00  0.00           C  
HETATM   17  C   UNL     1       7.798  64.539   2.425  1.00  0.00           C  
HETATM   18  O   UNL     1       7.120  64.005   1.522  1.00  0.00           O  
HETATM   19  N   UNL     1       8.261  63.776   3.551  1.00  0.00           N  
HETATM   20  C   UNL     1       7.901  62.373   3.604  1.00  0.00           C  
HETATM   21  C   UNL     1       8.343  61.499   2.609  1.00  0.00           C  
HETATM   22  F   UNL     1       9.146  62.002   1.652  1.00  0.00           F  
HETATM   23  C   UNL     1       7.072  61.881   4.609  1.00  0.00           C  
HETATM   24  C   UNL     1       6.696  60.539   4.631  1.00  0.00           C  
HETATM   25  C   UNL     1       7.185  59.693   3.613  1.00  0.00           C  
HETATM   26  C   UNL     1       8.004  60.148   2.579  1.00  0.00           C  
HETATM   27  N   UNL     1       6.750  58.333   3.591  1.00  0.00           N  
HETATM   28  C   UNL     1       5.743  57.985   2.649  1.00  0.00           C  
HETATM   29  O   UNL     1       5.321  58.929   1.874  1.00  0.00           O  
HETATM   30  C   UNL     1       5.310  56.626   2.633  1.00  0.00           C  
HETATM   31  C   UNL     1       5.816  55.678   3.478  1.00  0.00           C  
HETATM   32  C   UNL     1       6.832  56.062   4.410  1.00  0.00           C  
HETATM   33  C   UNL     1       7.272  57.349   4.478  1.00  0.00           C  
HETATM   34  H   UNL     1      14.920  64.303   8.775  1.00  0.00           H  
HETATM   35  H   UNL     1      13.276  65.849   7.414  1.00  0.00           H  
HETATM   36  H   UNL     1      11.846  66.386   5.764  1.00  0.00           H  
HETATM   37  H   UNL     1      12.144  67.250   3.000  1.00  0.00           H  
HETATM   38  H   UNL     1      10.437  67.939   5.385  1.00  0.00           H  
HETATM   39  H   UNL     1      10.572  66.014   1.884  1.00  0.00           H  
HETATM   40  H   UNL     1      10.693  64.862   3.202  1.00  0.00           H  
HETATM   41  H   UNL     1       8.324  68.050   4.341  1.00  0.00           H  
HETATM   42  H   UNL     1       8.979  68.335   2.747  1.00  0.00           H  
HETATM   43  H   UNL     1       7.237  66.600   2.499  1.00  0.00           H  
HETATM   44  H   UNL     1       8.581  66.231   1.376  1.00  0.00           H  
HETATM   45  H   UNL     1       8.811  64.198   4.272  1.00  0.00           H  
HETATM   46  H   UNL     1       6.716  62.547   5.381  1.00  0.00           H  
HETATM   47  H   UNL     1       8.356  59.489   1.799  1.00  0.00           H  
HETATM   48  H   UNL     1       6.048  60.157   5.406  1.00  0.00           H  
HETATM   49  H   UNL     1       8.019  57.624   5.207  1.00  0.00           H  
HETATM   50  H   UNL     1       4.550  56.334   1.923  1.00  0.00           H  
HETATM   51  H   UNL     1       5.457  54.660   3.443  1.00  0.00           H  
HETATM   52  H   UNL     1       7.256  55.320   5.070  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    5                                       
CONECT    3    2    2    4   34                                       
CONECT    4    3    6    6   35                                       
CONECT    5    2    6                                                 
CONECT    6    4    4    5    7                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   36                                            
CONECT   10    9   11   14   37                                       
CONECT   11   10   12   13   38                                       
CONECT   12   11                                                      
CONECT   13   11   15   41   42                                       
CONECT   14   10   15   39   40                                       
CONECT   15   13   14   16                                            
CONECT   16   15   17   43   44                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   45                                            
CONECT   20   19   21   23   23                                       
CONECT   21   20   22   26   26                                       
CONECT   22   21                                                      
CONECT   23   20   20   24   46                                       
CONECT   24   23   25   25   48                                       
CONECT   25   24   24   26   27                                       
CONECT   26   21   21   25   47                                       
CONECT   27   25   28   33                                            
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   31   50                                       
CONECT   31   30   30   32   51                                       
CONECT   32   31   33   33   52                                       
CONECT   33   27   32   32   49                                       
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   23                                                      
CONECT   47   26                                                      
CONECT   48   24                                                      
CONECT   49   33                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
CONECT   52   32                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
