COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      13.822   7.275  26.215  1.00  0.00          Cl  
HETATM    2  C   UNL     1      12.099   7.504  26.229  1.00  0.00           C  
HETATM    3  C   UNL     1      11.250   7.032  27.294  1.00  0.00           C  
HETATM    4  C   UNL     1       9.887   7.357  26.987  1.00  0.00           C  
HETATM    5  S   UNL     1      11.277   8.277  24.955  1.00  0.00           S  
HETATM    6  C   UNL     1       9.759   8.039  25.729  1.00  0.00           C  
HETATM    7  C   UNL     1       8.456   8.451  25.212  1.00  0.00           C  
HETATM    8  C   UNL     1       8.234   8.908  23.962  1.00  0.00           C  
HETATM    9  S   UNL     1       6.570   9.320  23.664  1.00  0.00           S  
HETATM   10  O   UNL     1       6.574  10.581  23.002  1.00  0.00           O  
HETATM   11  O   UNL     1       5.852   9.025  24.849  1.00  0.00           O  
HETATM   12  N   UNL     1       6.010   8.386  22.476  1.00  0.00           N  
HETATM   13  C   UNL     1       5.927   6.952  22.602  1.00  0.00           C  
HETATM   14  C   UNL     1       4.583   6.459  22.064  1.00  0.00           C  
HETATM   15  C   UNL     1       4.973   5.114  21.443  1.00  0.00           C  
HETATM   16  C   UNL     1       6.965   6.258  21.738  1.00  0.00           C  
HETATM   17  O   UNL     1       8.133   6.598  21.595  1.00  0.00           O  
HETATM   18  N   UNL     1       6.393   5.208  21.139  1.00  0.00           N  
HETATM   19  C   UNL     1       7.057   4.315  20.345  1.00  0.00           C  
HETATM   20  C   UNL     1       6.965   2.929  20.635  1.00  0.00           C  
HETATM   21  C   UNL     1       7.661   2.026  19.805  1.00  0.00           C  
HETATM   22  C   UNL     1       8.411   2.481  18.705  1.00  0.00           C  
HETATM   23  C   UNL     1       8.505   3.865  18.423  1.00  0.00           C  
HETATM   24  C   UNL     1       7.825   4.756  19.261  1.00  0.00           C  
HETATM   25  F   UNL     1       7.887   6.078  19.015  1.00  0.00           F  
HETATM   26  N   UNL     1       9.100   1.592  17.868  1.00  0.00           N  
HETATM   27  C   UNL     1      10.205   0.897  18.284  1.00  0.00           C  
HETATM   28  C   UNL     1      10.652   0.120  17.188  1.00  0.00           C  
HETATM   29  N   UNL     1       9.791   0.376  16.167  1.00  0.00           N  
HETATM   30  C   UNL     1       8.854   1.263  16.575  1.00  0.00           C  
HETATM   31  C   UNL     1       7.737   1.794  15.687  1.00  0.00           C  
HETATM   32  N   UNL     1       7.111   0.745  14.851  1.00  0.00           N  
HETATM   33  C   UNL     1       6.414  -0.254  15.679  1.00  0.00           C  
HETATM   34  C   UNL     1       6.170   1.371  13.911  1.00  0.00           C  
HETATM   35  H   UNL     1      11.586   6.516  28.181  1.00  0.00           H  
HETATM   36  H   UNL     1       9.052   7.116  27.628  1.00  0.00           H  
HETATM   37  H   UNL     1       7.826   7.553  25.296  1.00  0.00           H  
HETATM   38  H   UNL     1       8.271   9.359  25.805  1.00  0.00           H  
HETATM   39  H   UNL     1       8.844   9.811  23.813  1.00  0.00           H  
HETATM   40  H   UNL     1       8.501   8.100  23.265  1.00  0.00           H  
HETATM   41  H   UNL     1       5.072   8.694  22.315  1.00  0.00           H  
HETATM   42  H   UNL     1       6.073   6.725  23.668  1.00  0.00           H  
HETATM   43  H   UNL     1       3.833   6.346  22.861  1.00  0.00           H  
HETATM   44  H   UNL     1       4.107   7.153  21.356  1.00  0.00           H  
HETATM   45  H   UNL     1       4.781   4.292  22.148  1.00  0.00           H  
HETATM   46  H   UNL     1       4.383   4.904  20.539  1.00  0.00           H  
HETATM   47  H   UNL     1       6.378   2.575  21.469  1.00  0.00           H  
HETATM   48  H   UNL     1       7.618   0.968  20.017  1.00  0.00           H  
HETATM   49  H   UNL     1       9.085   4.223  17.585  1.00  0.00           H  
HETATM   50  H   UNL     1      10.652   0.935  19.266  1.00  0.00           H  
HETATM   51  H   UNL     1      11.505  -0.542  17.167  1.00  0.00           H  
HETATM   52  H   UNL     1       6.960   2.230  16.333  1.00  0.00           H  
HETATM   53  H   UNL     1       8.181   2.536  15.007  1.00  0.00           H  
HETATM   54  H   UNL     1       6.240  -1.165  15.087  1.00  0.00           H  
HETATM   55  H   UNL     1       7.032  -0.499  16.556  1.00  0.00           H  
HETATM   56  H   UNL     1       5.449   0.156  16.013  1.00  0.00           H  
HETATM   57  H   UNL     1       5.202   1.527  14.410  1.00  0.00           H  
HETATM   58  H   UNL     1       6.573   2.340  13.580  1.00  0.00           H  
HETATM   59  H   UNL     1       6.031   0.714  13.040  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    5                                       
CONECT    3    2    2    4   35                                       
CONECT    4    3    6    6   36                                       
CONECT    5    2    6                                                 
CONECT    6    4    4    5    7                                       
CONECT    7    6    8   37   38                                       
CONECT    8    7    9   39   40                                       
CONECT    9    8   10   10   11                                       
CONECT    9   11   12                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   13   41                                            
CONECT   13   12   14   16   42                                       
CONECT   14   13   15   43   44                                       
CONECT   15   14   18   45   46                                       
CONECT   16   13   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   15   16   19                                            
CONECT   19   18   20   24   24                                       
CONECT   20   19   21   21   47                                       
CONECT   21   20   20   22   48                                       
CONECT   22   21   23   23   26                                       
CONECT   23   22   22   24   49                                       
CONECT   24   19   19   23   25                                       
CONECT   25   24                                                      
CONECT   26   22   27   30                                            
CONECT   27   26   28   28   50                                       
CONECT   28   27   27   29   51                                       
CONECT   29   28   30   30                                            
CONECT   30   26   29   29   31                                       
CONECT   31   30   32   52   53                                       
CONECT   32   31   33   34                                            
CONECT   33   32   54   55   56                                       
CONECT   34   32   57   58   59                                       
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   33                                                      
CONECT   55   33                                                      
CONECT   56   33                                                      
CONECT   57   34                                                      
CONECT   58   34                                                      
CONECT   59   34                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
