COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       0.087   2.383  -2.378  1.00  0.00           F  
HETATM    2  C   UNL     1      -0.615   1.718  -1.435  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.349   0.375  -1.189  1.00  0.00           C  
HETATM    4  S   UNL     1       0.902  -0.459  -2.106  1.00  0.00           S  
HETATM    5  C   UNL     1       2.390  -0.192  -1.104  1.00  0.00           C  
HETATM    6  C   UNL     1       3.587  -0.867  -1.777  1.00  0.00           C  
HETATM    7  C   UNL     1       4.823  -0.646  -0.944  1.00  0.00           C  
HETATM    8  C   UNL     1       5.613   0.468  -1.167  1.00  0.00           C  
HETATM    9  C   UNL     1       6.742   0.680  -0.404  1.00  0.00           C  
HETATM   10  C   UNL     1       7.088  -0.233   0.594  1.00  0.00           C  
HETATM   11  C   UNL     1       8.296  -0.012   1.415  1.00  0.00           C  
HETATM   12  O   UNL     1       8.627  -0.895   2.378  1.00  0.00           O  
HETATM   13  O   UNL     1       8.991   0.965   1.223  1.00  0.00           O  
HETATM   14  C   UNL     1       6.287  -1.355   0.813  1.00  0.00           C  
HETATM   15  C   UNL     1       5.160  -1.554   0.043  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.595   2.375  -0.709  1.00  0.00           C  
HETATM   17  F   UNL     1      -1.848   3.680  -0.946  1.00  0.00           F  
HETATM   18  C   UNL     1      -2.315   1.695   0.258  1.00  0.00           C  
HETATM   19  S   UNL     1      -3.561   2.535   1.179  1.00  0.00           S  
HETATM   20  O   UNL     1      -3.233   3.917   1.131  1.00  0.00           O  
HETATM   21  N   UNL     1      -4.984   2.363   0.349  1.00  0.00           N  
HETATM   22  O   UNL     1      -3.716   1.815   2.394  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.057   0.353   0.504  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.071  -0.308  -0.218  1.00  0.00           C  
HETATM   25  F   UNL     1      -0.815  -1.612   0.024  1.00  0.00           F  
HETATM   26  N   UNL     1      -2.787  -0.333   1.482  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.516  -1.466   0.898  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.853  -0.978   0.337  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.428  -2.037  -0.605  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.317  -2.570  -1.513  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.039  -4.035  -1.172  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.234  -4.112   0.127  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.159  -3.844   1.316  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.770  -2.520   1.977  1.00  0.00           C  
HETATM   35  H   UNL     1       2.580   0.877  -1.013  1.00  0.00           H  
HETATM   36  H   UNL     1       2.242  -0.621  -0.112  1.00  0.00           H  
HETATM   37  H   UNL     1       3.397  -1.937  -1.868  1.00  0.00           H  
HETATM   38  H   UNL     1       3.735  -0.439  -2.769  1.00  0.00           H  
HETATM   39  H   UNL     1       5.344   1.173  -1.939  1.00  0.00           H  
HETATM   40  H   UNL     1       7.358   1.550  -0.579  1.00  0.00           H  
HETATM   41  H   UNL     1       9.426  -0.708   2.889  1.00  0.00           H  
HETATM   42  H   UNL     1       6.549  -2.065   1.584  1.00  0.00           H  
HETATM   43  H   UNL     1       4.536  -2.420   0.215  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.002   1.866  -0.484  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.799   2.758   0.696  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.186  -0.637   2.234  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.923  -1.904   0.095  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.550  -0.805   1.157  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.699  -0.049  -0.212  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.843  -2.858  -0.020  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.214  -1.592  -1.216  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.630  -2.492  -2.554  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.411  -1.983  -1.361  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.983  -4.565  -1.047  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.469  -4.494  -1.980  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.796  -5.105   0.225  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.441  -3.364   0.108  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.191  -3.786   0.968  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.064  -4.653   2.040  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.865  -2.661   2.568  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.579  -2.187   2.627  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    3    1   16                                       
CONECT    3    4    2    2   24                                       
CONECT    4    5    3                                                 
CONECT    5    4    6   35   36                                       
CONECT    6    7    5   37   38                                       
CONECT    7    8    8   15    6                                       
CONECT    8    9    7    7   39                                       
CONECT    9   10   10    8   40                                       
CONECT   10   11    9    9   14                                       
CONECT   11   13   13   12   10                                       
CONECT   12   11   41                                                 
CONECT   13   11   11                                                 
CONECT   14   10   15   15   42                                       
CONECT   15   14   14    7   43                                       
CONECT   16    2   17   18   18                                       
CONECT   17   16                                                      
CONECT   18   16   16   23   19                                       
CONECT   19   18   21   22   22                                       
CONECT   19   20   20                                                 
CONECT   20   19   19                                                 
CONECT   21   19   44   45                                            
CONECT   22   19   19                                                 
CONECT   23   24   24   18   26                                       
CONECT   24    3   25   23   23                                       
CONECT   25   24                                                      
CONECT   26   23   27   46                                            
CONECT   27   26   34   28   47                                       
CONECT   28   27   29   48   49                                       
CONECT   29   28   30   50   51                                       
CONECT   30   29   31   52   53                                       
CONECT   31   30   32   54   55                                       
CONECT   32   33   31   56   57                                       
CONECT   33   34   32   58   59                                       
CONECT   34   27   33   60   61                                       
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
