COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.904  -2.104  -0.526  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.121  -0.461  -0.760  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.673   0.790  -0.752  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.737   1.816   0.093  1.00  0.00           C  
HETATM    5  C   UNL     1       4.643   0.260   2.401  1.00  0.00           C  
HETATM    6  C   UNL     1       5.661   1.546   0.600  1.00  0.00           C  
HETATM    7  C   UNL     1       8.103   1.631   0.176  1.00  0.00           C  
HETATM    8  C   UNL     1      10.188  -2.487  -0.705  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.809  -4.628  -0.541  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.627  -2.614   0.558  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.912  -1.751   1.760  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.671  -2.943  -1.620  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.405  -0.710  -0.517  1.00  0.00           C  
HETATM   14  C   UNL     1       0.683   2.236  -0.304  1.00  0.00           C  
HETATM   15  C   UNL     1       2.638   0.762  -0.177  1.00  0.00           C  
HETATM   16  C   UNL     1       3.241   1.692   0.844  1.00  0.00           C  
HETATM   17  C   UNL     1       6.989   0.926   0.952  1.00  0.00           C  
HETATM   18  C   UNL     1       9.454   1.021   0.562  1.00  0.00           C  
HETATM   19  C   UNL     1      10.322  -1.053  -0.408  1.00  0.00           C  
HETATM   20  C   UNL     1      11.153  -3.123  -1.363  1.00  0.00           C  
HETATM   21  C   UNL     1       8.309  -1.195   0.977  1.00  0.00           C  
HETATM   22  C   UNL     1       6.970  -0.560   0.586  1.00  0.00           C  
HETATM   23  C   UNL     1       0.823   0.141  -1.705  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.602  -0.197  -1.254  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.792   1.546  -0.260  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.760   3.489  -1.160  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.682   4.660  -0.809  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.895   3.272   0.720  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.985   2.087   0.386  1.00  0.00           C  
HETATM   30  F   UNL     1      -6.214  -2.565   2.858  1.00  0.00           F  
HETATM   31  F   UNL     1      -4.787  -0.973   2.053  1.00  0.00           F  
HETATM   32  N   UNL     1      -6.275  -5.928  -0.549  1.00  0.00           N  
HETATM   33  N   UNL     1      -6.056  -3.862   0.513  1.00  0.00           N  
HETATM   34  N   UNL     1      -5.137  -4.178  -1.592  1.00  0.00           N  
HETATM   35  N   UNL     1      -1.341   1.048  -1.004  1.00  0.00           N  
HETATM   36  N   UNL     1       1.430   1.035  -0.707  1.00  0.00           N  
HETATM   37  N   UNL     1       4.548   1.177   1.263  1.00  0.00           N  
HETATM   38  N   UNL     1       9.396  -0.432   0.349  1.00  0.00           N  
HETATM   39  N   UNL     1      -3.508   1.794  -0.503  1.00  0.00           N  
HETATM   40  N   UNL     1      -5.659   2.589  -0.002  1.00  0.00           N  
HETATM   41  N   UNL     1      -5.241   0.295  -0.267  1.00  0.00           N  
HETATM   42  O   UNL     1      11.268  -0.427  -0.846  1.00  0.00           O  
HETATM   43  O   UNL     1       5.595   2.378  -0.281  1.00  0.00           O  
HETATM   44  O   UNL     1       3.240  -0.234  -0.521  1.00  0.00           O  
HETATM   45  O   UNL     1      -7.956   4.152  -0.405  1.00  0.00           O  
HETATM   46  H   UNL     1      -0.696   1.198   0.990  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.337   2.704   0.289  1.00  0.00           H  
HETATM   48  H   UNL     1       4.781   0.833   3.318  1.00  0.00           H  
HETATM   49  H   UNL     1       3.727  -0.326   2.474  1.00  0.00           H  
HETATM   50  H   UNL     1       5.492  -0.409   2.259  1.00  0.00           H  
HETATM   51  H   UNL     1       7.939   1.502  -0.894  1.00  0.00           H  
HETATM   52  H   UNL     1       8.101   2.693   0.419  1.00  0.00           H  
HETATM   53  H   UNL     1       9.306  -3.024  -0.389  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.759  -1.099   1.547  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.117  -2.586  -2.476  1.00  0.00           H  
HETATM   56  H   UNL     1       0.638   2.937  -1.137  1.00  0.00           H  
HETATM   57  H   UNL     1       1.176   2.709   0.546  1.00  0.00           H  
HETATM   58  H   UNL     1       3.365   2.682   0.405  1.00  0.00           H  
HETATM   59  H   UNL     1       2.582   1.757   1.710  1.00  0.00           H  
HETATM   60  H   UNL     1       7.167   1.034   2.022  1.00  0.00           H  
HETATM   61  H   UNL     1      10.240   1.450  -0.059  1.00  0.00           H  
HETATM   62  H   UNL     1       9.663   1.230   1.612  1.00  0.00           H  
HETATM   63  H   UNL     1      12.035  -2.586  -1.679  1.00  0.00           H  
HETATM   64  H   UNL     1      11.055  -4.176  -1.581  1.00  0.00           H  
HETATM   65  H   UNL     1       8.422  -1.168   2.061  1.00  0.00           H  
HETATM   66  H   UNL     1       8.337  -2.228   0.632  1.00  0.00           H  
HETATM   67  H   UNL     1       6.161  -1.057   1.121  1.00  0.00           H  
HETATM   68  H   UNL     1       6.817  -0.668  -0.488  1.00  0.00           H  
HETATM   69  H   UNL     1       1.410  -0.775  -1.781  1.00  0.00           H  
HETATM   70  H   UNL     1       0.795   0.639  -2.674  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.105  -0.768  -2.034  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.563  -0.786  -0.338  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.170   2.944  -2.010  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.770   3.869  -1.414  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.245   5.237   0.006  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.805   5.300  -1.683  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.896   2.908   0.953  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.494   3.809   1.580  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.890   1.443   1.260  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.415   1.520  -0.440  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.775  -6.269   0.209  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.103  -6.501  -1.313  1.00  0.00           H  
CONECT    1   12   12   10   13                                       
CONECT    2   13   13    3                                            
CONECT    3    2   35   39   39                                       
CONECT    4   35   14   46   47                                       
CONECT    5   37   48   49   50                                       
CONECT    6   43   43   37   17                                       
CONECT    7   17   18   51   52                                       
CONECT    8   20   20   19   53                                       
CONECT    9   32   34   34   33                                       
CONECT   10   33   33    1   11                                       
CONECT   11   10   31   30   54                                       
CONECT   12   34    1    1   55                                       
CONECT   13    1    2    2   41                                       
CONECT   14   36    4   56   57                                       
CONECT   15   16   36   44   44                                       
CONECT   16   37   15   58   59                                       
CONECT   17    6    7   22   60                                       
CONECT   18    7   38   61   62                                       
CONECT   19   42   42    8   38                                       
CONECT   20    8    8   63   64                                       
CONECT   21   38   22   65   66                                       
CONECT   22   17   21   67   68                                       
CONECT   23   24   36   69   70                                       
CONECT   24   23   35   71   72                                       
CONECT   25   41   41   39   40                                       
CONECT   26   40   27   73   74                                       
CONECT   27   45   26   75   76                                       
CONECT   28   29   45   77   78                                       
CONECT   29   28   40   79   80                                       
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32    9   81   82                                            
CONECT   33    9   10   10                                            
CONECT   34    9    9   12                                            
CONECT   35   24    3    4                                            
CONECT   36   23   15   14                                            
CONECT   37   16    6    5                                            
CONECT   38   19   18   21                                            
CONECT   39    3    3   25                                            
CONECT   40   29   25   26                                            
CONECT   41   13   25   25                                            
CONECT   42   19   19                                                 
CONECT   43    6    6                                                 
CONECT   44   15   15                                                 
CONECT   45   28   27                                                 
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
