COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.297  -2.989  -1.366  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.378  -3.770  -1.002  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.487  -4.237   0.295  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.665  -5.088   0.692  1.00  0.00           C  
HETATM    5  F   UNL     1      -2.359  -6.437   0.481  1.00  0.00           F  
HETATM    6  F   UNL     1      -2.953  -4.882   2.046  1.00  0.00           F  
HETATM    7  F   UNL     1      -3.777  -4.735  -0.080  1.00  0.00           F  
HETATM    8  C   UNL     1      -0.514  -3.924   1.226  1.00  0.00           C  
HETATM    9  C   UNL     1       0.567  -3.143   0.862  1.00  0.00           C  
HETATM   10  C   UNL     1       0.675  -2.675  -0.434  1.00  0.00           C  
HETATM   11  C   UNL     1       1.853  -1.824  -0.832  1.00  0.00           C  
HETATM   12  N   UNL     1       1.597  -0.430  -0.460  1.00  0.00           N  
HETATM   13  S   UNL     1       2.124   0.148   0.999  1.00  0.00           S  
HETATM   14  C   UNL     1       3.747   0.787   0.751  1.00  0.00           C  
HETATM   15  C   UNL     1       3.918   2.113   0.396  1.00  0.00           C  
HETATM   16  C   UNL     1       5.186   2.620   0.200  1.00  0.00           C  
HETATM   17  C   UNL     1       6.298   1.792   0.363  1.00  0.00           C  
HETATM   18  C   UNL     1       7.660   2.329   0.155  1.00  0.00           C  
HETATM   19  O   UNL     1       7.813   3.493  -0.157  1.00  0.00           O  
HETATM   20  N   UNL     1       8.732   1.526   0.313  1.00  0.00           N  
HETATM   21  C   UNL     1       6.119   0.455   0.722  1.00  0.00           C  
HETATM   22  C   UNL     1       4.845  -0.038   0.919  1.00  0.00           C  
HETATM   23  O   UNL     1       1.298   1.261   1.312  1.00  0.00           O  
HETATM   24  O   UNL     1       2.263  -0.980   1.851  1.00  0.00           O  
HETATM   25  C   UNL     1       0.873   0.452  -1.380  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.585  -0.023  -1.542  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.516   1.047  -1.162  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.809   0.494  -0.738  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.736   1.620  -0.356  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.555   2.192  -1.314  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.406   3.223  -0.971  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.439   3.688   0.345  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.349   4.792   0.719  1.00  0.00           C  
HETATM   34  N   UNL     1      -6.378   5.239   1.990  1.00  0.00           N  
HETATM   35  O   UNL     1      -7.070   5.296  -0.120  1.00  0.00           O  
HETATM   36  C   UNL     1      -4.610   3.106   1.305  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.768   2.073   0.951  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.734  -0.356  -3.043  1.00  0.00           C  
HETATM   39  N   UNL     1       0.650  -0.640  -3.502  1.00  0.00           N  
HETATM   40  C   UNL     1       1.483   0.367  -2.795  1.00  0.00           C  
HETATM   41  H   UNL     1      -0.209  -2.627  -2.380  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.137  -4.015  -1.729  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.599  -4.289   2.239  1.00  0.00           H  
HETATM   44  H   UNL     1       1.326  -2.898   1.590  1.00  0.00           H  
HETATM   45  H   UNL     1       2.747  -2.178  -0.319  1.00  0.00           H  
HETATM   46  H   UNL     1       2.003  -1.891  -1.910  1.00  0.00           H  
HETATM   47  H   UNL     1       3.057   2.753   0.270  1.00  0.00           H  
HETATM   48  H   UNL     1       5.319   3.655  -0.078  1.00  0.00           H  
HETATM   49  H   UNL     1       8.609   0.597   0.562  1.00  0.00           H  
HETATM   50  H   UNL     1       9.625   1.878   0.177  1.00  0.00           H  
HETATM   51  H   UNL     1       6.975  -0.191   0.848  1.00  0.00           H  
HETATM   52  H   UNL     1       4.705  -1.071   1.201  1.00  0.00           H  
HETATM   53  H   UNL     1       0.898   1.479  -1.016  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.763  -0.912  -0.937  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.120   1.633  -0.442  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.247  -0.075  -1.558  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.661  -0.161   0.120  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.529   1.831  -2.331  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.045   3.669  -1.719  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.803   4.836   2.659  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.975   5.963   2.236  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.631   3.462   2.325  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.129   1.619   1.694  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.367  -1.233  -3.177  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.146   0.498  -3.582  1.00  0.00           H  
HETATM   66  H   UNL     1       0.928  -1.577  -3.254  1.00  0.00           H  
HETATM   67  H   UNL     1       1.418   1.333  -3.296  1.00  0.00           H  
HETATM   68  H   UNL     1       2.520   0.034  -2.743  1.00  0.00           H  
CONECT    1    2    2   10   41                                       
CONECT    2    1    1    3   42                                       
CONECT    3    2    4    8    8                                       
CONECT    4    3    5    6    7                                       
CONECT    5    4                                                      
CONECT    6    4                                                      
CONECT    7    4                                                      
CONECT    8    3    3    9   43                                       
CONECT    9    8   10   10   44                                       
CONECT   10    1    9    9   11                                       
CONECT   11   10   12   45   46                                       
CONECT   12   11   13   25                                            
CONECT   13   12   14   23   23                                       
CONECT   13   24   24                                                 
CONECT   14   13   15   15   22                                       
CONECT   15   14   14   16   47                                       
CONECT   16   15   17   17   48                                       
CONECT   17   16   16   18   21                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   49   50                                            
CONECT   21   17   22   22   51                                       
CONECT   22   14   21   21   52                                       
CONECT   23   13   13                                                 
CONECT   24   13   13                                                 
CONECT   25   12   26   40   53                                       
CONECT   26   25   27   38   54                                       
CONECT   27   26   28   55                                            
CONECT   28   27   29   56   57                                       
CONECT   29   28   30   30   37                                       
CONECT   30   29   29   31   58                                       
CONECT   31   30   32   32   59                                       
CONECT   32   31   31   33   36                                       
CONECT   33   32   34   35   35                                       
CONECT   34   33   60   61                                            
CONECT   35   33   33                                                 
CONECT   36   32   37   37   62                                       
CONECT   37   29   36   36   63                                       
CONECT   38   26   39   64   65                                       
CONECT   39   38   40   66                                            
CONECT   40   25   39   67   68                                       
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
CONECT   62   36                                                      
CONECT   63   37                                                      
CONECT   64   38                                                      
CONECT   65   38                                                      
CONECT   66   39                                                      
CONECT   67   40                                                      
CONECT   68   40                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
