COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.591  -0.794  -1.090  1.00  0.00           C  
HETATM    2  O   UNL     1       1.215   1.251  -0.942  1.00  0.00           O  
HETATM    3  C   UNL     1       3.534   1.098  -2.588  1.00  0.00           C  
HETATM    4  C   UNL     1       3.628   1.528  -1.107  1.00  0.00           C  
HETATM    5  C   UNL     1       2.310   2.159  -0.654  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.183   2.744  -0.079  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.430   1.307  -0.473  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.009   2.171  -1.596  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.184   3.452  -1.731  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.684   4.256  -2.933  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.330   4.290  -0.460  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.314   0.105  -0.257  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.489  -0.890   0.205  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.209   0.783   2.690  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.240   1.424   3.616  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.273  -0.119   3.558  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.043  -1.245  -1.177  1.00  0.00           C  
HETATM   18  C   UNL     1       4.394   0.251   1.017  1.00  0.00           C  
HETATM   19  C   UNL     1       5.900   0.212   0.992  1.00  0.00           C  
HETATM   20  C   UNL     1       6.558  -1.004   0.950  1.00  0.00           C  
HETATM   21  C   UNL     1      10.071  -1.521   0.448  1.00  0.00           C  
HETATM   22  C   UNL     1       8.003   1.360   0.984  1.00  0.00           C  
HETATM   23  C   UNL     1       6.621   1.391   1.007  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.647  -0.561   1.149  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.116  -0.422   2.578  1.00  0.00           C  
HETATM   26  C   UNL     1       3.100  -0.380  -2.460  1.00  0.00           C  
HETATM   27  C   UNL     1       7.943  -1.042   0.923  1.00  0.00           C  
HETATM   28  C   UNL     1       8.669   0.146   0.937  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.023   1.659  -0.602  1.00  0.00           C  
HETATM   30  F   UNL     1      11.143  -2.183   1.056  1.00  0.00           F  
HETATM   31  F   UNL     1      10.186  -1.574  -0.946  1.00  0.00           F  
HETATM   32  N   UNL     1      -1.084   0.863  -0.842  1.00  0.00           N  
HETATM   33  N   UNL     1      -4.605   0.272   0.092  1.00  0.00           N  
HETATM   34  N   UNL     1      -5.862   1.799   3.280  1.00  0.00           N  
HETATM   35  N   UNL     1       3.885   0.293  -0.356  1.00  0.00           N  
HETATM   36  O   UNL     1       3.699  -1.940  -0.708  1.00  0.00           O  
HETATM   37  O   UNL     1      -4.058   0.825   2.309  1.00  0.00           O  
HETATM   38  O   UNL     1      -6.900  -0.195  -1.630  1.00  0.00           O  
HETATM   39  O   UNL     1      -2.863  -1.012  -0.398  1.00  0.00           O  
HETATM   40  O   UNL     1       8.819  -2.088   0.874  1.00  0.00           O  
HETATM   41  O   UNL     1      10.000  -0.155   0.904  1.00  0.00           O  
HETATM   42  H   UNL     1       2.780   1.682  -3.116  1.00  0.00           H  
HETATM   43  H   UNL     1       4.503   1.180  -3.080  1.00  0.00           H  
HETATM   44  H   UNL     1       4.450   2.231  -0.970  1.00  0.00           H  
HETATM   45  H   UNL     1       2.155   3.097  -1.186  1.00  0.00           H  
HETATM   46  H   UNL     1       2.349   2.352   0.418  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.381   1.891   0.446  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.976   1.616  -2.534  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.042   2.427  -1.361  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.134   3.194  -1.877  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.733   4.514  -2.786  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.095   5.169  -3.029  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.579   3.659  -3.839  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.742   5.202  -0.556  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.379   4.547  -0.313  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.974   3.717   0.397  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.928  -1.737   0.600  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.934   1.844   2.888  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.492   1.769   4.619  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.076  -0.551   4.539  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.224  -0.474   3.161  1.00  0.00           H  
HETATM   62  S   UNL     1      -6.985  -2.792  -1.071  1.00  0.00           S  
HETATM   63  H   UNL     1      -5.218  -1.370  -1.878  1.00  0.00           H  
HETATM   64  H   UNL     1       4.016  -0.641   1.517  1.00  0.00           H  
HETATM   65  H   UNL     1       4.062   1.138   1.555  1.00  0.00           H  
HETATM   66  H   UNL     1       5.992  -1.924   0.939  1.00  0.00           H  
HETATM   67  H   UNL     1       8.564   2.283   0.996  1.00  0.00           H  
HETATM   68  H   UNL     1       6.104   2.339   1.035  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.111   0.376   0.842  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.385  -1.362   1.112  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.587  -1.327   2.877  1.00  0.00           H  
HETATM   72  H   UNL     1       3.573  -0.985  -3.234  1.00  0.00           H  
HETATM   73  H   UNL     1       2.015  -0.465  -2.518  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.956  -0.003  -1.260  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.948   1.162   0.269  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.472   2.669   3.461  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.462   0.663  -1.711  1.00  0.00           H  
HETATM   78  O   UNL     1      -8.050  -2.664  -0.139  1.00  0.00           O  
HETATM   79  O   UNL     1      -7.207  -3.330  -2.368  1.00  0.00           O  
HETATM   80  O   UNL     1      -6.028  -3.776  -0.415  1.00  0.00           O  
HETATM   81  H   UNL     1      -6.398  -4.661  -0.291  1.00  0.00           H  
CONECT    1   36   36   26   35                                       
CONECT    2    5   29                                                 
CONECT    3   26    4   42   43                                       
CONECT    4   35    3    5   44                                       
CONECT    5    4    2   45   46                                       
CONECT    6   29   29                                                 
CONECT    7   32   12    8   47                                       
CONECT    8    7    9   48   49                                       
CONECT    9   11    8   10   50                                       
CONECT   10    9   51   52   53                                       
CONECT   11    9   54   55   56                                       
CONECT   12    7   33   39   39                                       
CONECT   13   24   33   17   57                                       
CONECT   14   37   37   34   25                                       
CONECT   15   34   16   58   59                                       
CONECT   16   25   15   60   61                                       
CONECT   17   13   38   62   63                                       
CONECT   18   35   19   64   65                                       
CONECT   19   20   20   23   18                                       
CONECT   20   27   19   19   66                                       
CONECT   21   30   40   41   31                                       
CONECT   22   28   23   23   67                                       
CONECT   23   22   22   19   68                                       
CONECT   24   25   13   69   70                                       
CONECT   25   14   24   16   71                                       
CONECT   26    1    3   72   73                                       
CONECT   27   40   28   28   20                                       
CONECT   28   41   27   27   22                                       
CONECT   29    6    6    2   32                                       
CONECT   30   21                                                      
CONECT   31   21                                                      
CONECT   32   29    7   74                                            
CONECT   33   12   13   75                                            
CONECT   34   14   15   76                                            
CONECT   35    1   18    4                                            
CONECT   36    1    1                                                 
CONECT   37   14   14                                                 
CONECT   38   17   77                                                 
CONECT   39   12   12                                                 
CONECT   40   21   27                                                 
CONECT   41   21   28                                                 
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17   78   78   79                                       
CONECT   62   79   80                                                 
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   20                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   38                                                      
CONECT   78   62   62                                                 
CONECT   79   62   62                                                 
CONECT   80   62   81                                                 
CONECT   81   80                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
