COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -8.383   1.199  -1.668  1.00  0.00           F  
HETATM    2  C   UNL     1      -7.108   1.760  -1.534  1.00  0.00           C  
HETATM    3  F   UNL     1      -7.151   3.108  -1.907  1.00  0.00           F  
HETATM    4  C   UNL     1      -6.652   1.648  -0.078  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.488   0.195   0.287  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.403  -0.588   0.880  1.00  0.00           C  
HETATM    7  N   UNL     1      -6.898  -1.848   1.053  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.613  -1.908   0.562  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.302  -0.633   0.055  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.051  -0.398  -0.518  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.135  -1.410  -0.586  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.439  -2.670  -0.091  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.664  -2.922   0.487  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.785  -1.155  -1.205  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.809  -0.686  -0.124  1.00  0.00           C  
HETATM   16  C   UNL     1       0.587  -0.553  -0.725  1.00  0.00           C  
HETATM   17  C   UNL     1       1.626  -0.332   0.371  1.00  0.00           C  
HETATM   18  C   UNL     1       1.454   1.061   0.981  1.00  0.00           C  
HETATM   19  S   UNL     1      -0.171   1.157   1.786  1.00  0.00           S  
HETATM   20  C   UNL     1      -1.270   0.666   0.426  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.234   0.168   2.804  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.435   2.514   2.118  1.00  0.00           O  
HETATM   23  N   UNL     1       2.973  -0.448  -0.204  1.00  0.00           N  
HETATM   24  C   UNL     1       3.952  -0.832   0.822  1.00  0.00           C  
HETATM   25  C   UNL     1       5.319  -0.941   0.197  1.00  0.00           C  
HETATM   26  C   UNL     1       6.147   0.165   0.151  1.00  0.00           C  
HETATM   27  C   UNL     1       7.401   0.065  -0.423  1.00  0.00           C  
HETATM   28  C   UNL     1       7.826  -1.140  -0.950  1.00  0.00           C  
HETATM   29  C   UNL     1       6.998  -2.245  -0.904  1.00  0.00           C  
HETATM   30  C   UNL     1       5.746  -2.147  -0.325  1.00  0.00           C  
HETATM   31  C   UNL     1       8.304   1.271  -0.474  1.00  0.00           C  
HETATM   32  C   UNL     1       8.586   1.757   0.949  1.00  0.00           C  
HETATM   33  C   UNL     1       9.621   0.893  -1.154  1.00  0.00           C  
HETATM   34  C   UNL     1       7.621   2.386  -1.268  1.00  0.00           C  
HETATM   35  O   UNL     1       0.907  -1.747  -1.443  1.00  0.00           O  
HETATM   36  H   UNL     1      -6.407   1.227  -2.177  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.699   2.163   0.045  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.398   2.104   0.573  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.392  -0.270   1.178  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.375  -2.588   1.460  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.808   0.580  -0.906  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.704  -3.460  -0.153  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.891  -3.907   0.868  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.413  -2.075  -1.656  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.875  -0.385  -1.971  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.787  -1.417   0.685  1.00  0.00           H  
HETATM   47  H   UNL     1       0.604   0.294  -1.411  1.00  0.00           H  
HETATM   48  H   UNL     1       1.498  -1.086   1.148  1.00  0.00           H  
HETATM   49  H   UNL     1       2.237   1.234   1.719  1.00  0.00           H  
HETATM   50  H   UNL     1       1.518   1.814   0.196  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.231   1.416  -0.364  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.292   0.577   0.795  1.00  0.00           H  
HETATM   53  H   UNL     1       3.246   0.409  -0.661  1.00  0.00           H  
HETATM   54  H   UNL     1       3.970  -0.077   1.608  1.00  0.00           H  
HETATM   55  H   UNL     1       3.670  -1.794   1.250  1.00  0.00           H  
HETATM   56  H   UNL     1       5.815   1.107   0.562  1.00  0.00           H  
HETATM   57  H   UNL     1       8.805  -1.217  -1.399  1.00  0.00           H  
HETATM   58  H   UNL     1       7.330  -3.187  -1.316  1.00  0.00           H  
HETATM   59  H   UNL     1       5.100  -3.012  -0.285  1.00  0.00           H  
HETATM   60  H   UNL     1       9.072   0.963   1.515  1.00  0.00           H  
HETATM   61  H   UNL     1       9.239   2.629   0.912  1.00  0.00           H  
HETATM   62  H   UNL     1       7.648   2.027   1.434  1.00  0.00           H  
HETATM   63  H   UNL     1       9.420   0.546  -2.168  1.00  0.00           H  
HETATM   64  H   UNL     1      10.274   1.765  -1.191  1.00  0.00           H  
HETATM   65  H   UNL     1      10.107   0.098  -0.588  1.00  0.00           H  
HETATM   66  H   UNL     1       6.683   2.656  -0.784  1.00  0.00           H  
HETATM   67  H   UNL     1       8.275   3.258  -1.305  1.00  0.00           H  
HETATM   68  H   UNL     1       7.420   2.040  -2.282  1.00  0.00           H  
HETATM   69  H   UNL     1       1.782  -1.736  -1.854  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    1    4   36                                       
CONECT    3    2                                                      
CONECT    4    2    5   37   38                                       
CONECT    5    4    9    6    6                                       
CONECT    6    5    5    7   39                                       
CONECT    7    6    8   40                                            
CONECT    8    9    7   13   13                                       
CONECT    9   10   10    5    8                                       
CONECT   10    9    9   11   41                                       
CONECT   11   10   14   12   12                                       
CONECT   12   11   11   13   42                                       
CONECT   13    8    8   12   43                                       
CONECT   14   15   11   44   45                                       
CONECT   15   20   16   14   46                                       
CONECT   16   17   15   35   47                                       
CONECT   17   18   23   16   48                                       
CONECT   18   19   17   49   50                                       
CONECT   19   22   22   18   21                                       
CONECT   19   21   20                                                 
CONECT   20   19   15   51   52                                       
CONECT   21   19   19                                                 
CONECT   22   19   19                                                 
CONECT   23   24   17   53                                            
CONECT   24   23   25   54   55                                       
CONECT   25   24   30   30   26                                       
CONECT   26   25   27   27   56                                       
CONECT   27   26   26   28   31                                       
CONECT   28   29   29   27   57                                       
CONECT   29   30   28   28   58                                       
CONECT   30   25   25   29   59                                       
CONECT   31   27   34   32   33                                       
CONECT   32   31   60   61   62                                       
CONECT   33   31   63   64   65                                       
CONECT   34   31   66   67   68                                       
CONECT   35   16   69                                                 
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   26                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
