COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.820  -0.319   0.078  1.00  0.00           O  
HETATM    2  N   UNL     1       0.894   1.437   0.370  1.00  0.00           N  
HETATM    3  C   UNL     1       3.141   0.617   0.780  1.00  0.00           C  
HETATM    4  C   UNL     1       6.362  -0.474   2.176  1.00  0.00           C  
HETATM    5  C   UNL     1       7.362  -1.597   1.895  1.00  0.00           C  
HETATM    6  C   UNL     1       8.079  -1.322   0.572  1.00  0.00           C  
HETATM    7  O   UNL     1       9.013  -2.371   0.309  1.00  0.00           O  
HETATM    8  C   UNL     1       7.053  -1.257  -0.561  1.00  0.00           C  
HETATM    9  C   UNL     1       6.053  -0.134  -0.280  1.00  0.00           C  
HETATM   10  C   UNL     1       5.335  -0.409   1.043  1.00  0.00           C  
HETATM   11  N   UNL     1       4.378   0.667   1.313  1.00  0.00           N  
HETATM   12  C   UNL     1       2.156   1.723   1.057  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.166   2.317   0.478  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.049   3.471   1.231  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.140   4.342   1.321  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.048   5.364   1.983  1.00  0.00           O  
HETATM   17  N   UNL     1      -2.290   4.061   0.682  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.418   4.990   0.791  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.425   2.934  -0.064  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.394   2.054  -0.188  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.551   0.829  -1.008  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.945   0.742  -2.259  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.095  -0.400  -3.020  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.438  -0.493  -4.373  1.00  0.00           C  
HETATM   25  C   UNL     1       0.964  -1.086  -4.220  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.275  -1.392  -5.285  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.343   0.812  -4.947  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.845  -1.461  -2.543  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.451  -1.385  -1.304  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.305  -0.246  -0.528  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.895  -0.173   0.694  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.617  -1.243   1.119  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.971  -1.328   0.826  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.642  -0.233   0.037  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.703  -2.416   1.258  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.088  -3.423   1.983  1.00  0.00           C  
HETATM   37  F   UNL     1      -5.805  -4.487   2.405  1.00  0.00           F  
HETATM   38  C   UNL     1      -3.737  -3.340   2.275  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.000  -2.255   1.840  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.529  -2.168   2.154  1.00  0.00           C  
HETATM   41  H   UNL     1       0.804   0.632  -0.163  1.00  0.00           H  
HETATM   42  H   UNL     1       5.851  -0.670   3.119  1.00  0.00           H  
HETATM   43  H   UNL     1       6.892   0.477   2.241  1.00  0.00           H  
HETATM   44  H   UNL     1       8.093  -1.643   2.702  1.00  0.00           H  
HETATM   45  H   UNL     1       6.832  -2.547   1.830  1.00  0.00           H  
HETATM   46  H   UNL     1       8.609  -0.372   0.637  1.00  0.00           H  
HETATM   47  H   UNL     1       9.505  -2.262  -0.516  1.00  0.00           H  
HETATM   48  H   UNL     1       7.564  -1.061  -1.503  1.00  0.00           H  
HETATM   49  H   UNL     1       6.523  -2.207  -0.626  1.00  0.00           H  
HETATM   50  H   UNL     1       6.583   0.817  -0.215  1.00  0.00           H  
HETATM   51  H   UNL     1       5.322  -0.088  -1.087  1.00  0.00           H  
HETATM   52  H   UNL     1       4.806  -1.359   0.979  1.00  0.00           H  
HETATM   53  H   UNL     1       4.634   1.415   1.874  1.00  0.00           H  
HETATM   54  H   UNL     1       2.560   2.668   0.695  1.00  0.00           H  
HETATM   55  H   UNL     1       1.978   1.791   2.130  1.00  0.00           H  
HETATM   56  H   UNL     1       0.873   3.697   1.745  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.135   5.833   1.421  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.687   5.353  -0.201  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.271   4.476   1.233  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.361   2.734  -0.566  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.359   1.568  -2.634  1.00  0.00           H  
HETATM   62  H   UNL     1       1.439  -1.153  -5.199  1.00  0.00           H  
HETATM   63  H   UNL     1       1.560  -0.445  -3.570  1.00  0.00           H  
HETATM   64  H   UNL     1       0.892  -2.081  -3.782  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.274  -0.970  -5.394  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.800  -1.459  -6.264  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.347  -2.388  -4.847  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.197   1.249  -5.073  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.958  -2.352  -3.143  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.036  -2.216  -0.938  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.584  -0.464  -1.026  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.687  -0.158   0.336  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.139   0.715   0.231  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.757  -2.482   1.031  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.258  -4.126   2.841  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.390  -1.654   3.105  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.111  -3.172   2.220  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.021  -1.614   1.364  1.00  0.00           H  
CONECT    1    3    3                                                 
CONECT    2   13   12   41                                            
CONECT    3    1    1   11   12                                       
CONECT    4    5   10   42   43                                       
CONECT    5    4    6   44   45                                       
CONECT    6    5    7    8   46                                       
CONECT    7    6   47                                                 
CONECT    8    6    9   48   49                                       
CONECT    9   10    8   50   51                                       
CONECT   10    4   11    9   52                                       
CONECT   11    3   10   53                                            
CONECT   12    3    2   54   55                                       
CONECT   13    2   20   14   14                                       
CONECT   14   13   13   15   56                                       
CONECT   15   14   17   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   19   15   18                                            
CONECT   18   17   57   58   59                                       
CONECT   19   20   20   17   60                                       
CONECT   20   21   13   19   19                                       
CONECT   21   22   20   30   30                                       
CONECT   22   23   23   21   61                                       
CONECT   23   24   22   22   28                                       
CONECT   24   25   27   26   23                                       
CONECT   25   24   62   63   64                                       
CONECT   26   24   65   66   67                                       
CONECT   27   24   68                                                 
CONECT   28   23   29   29   69                                       
CONECT   29   28   28   30   70                                       
CONECT   30   21   21   29   31                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   33   39                                       
CONECT   33   34   32   32   35                                       
CONECT   34   33   71   72   73                                       
CONECT   35   33   36   36   74                                       
CONECT   36   35   35   38   37                                       
CONECT   37   36                                                      
CONECT   38   39   39   36   75                                       
CONECT   39   32   40   38   38                                       
CONECT   40   39   76   77   78                                       
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   14                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   22                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   38                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
