COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.818   0.342   0.852  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.629  -0.385  -0.104  1.00  0.00           C  
HETATM    3  O   UNL     1      -5.672  -0.817  -0.838  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.994  -0.375  -0.429  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.043  -0.962  -1.375  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.271  -0.848   0.999  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.059   1.153  -0.481  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.375  -0.754  -0.432  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.241  -0.284   0.366  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.042  -1.212   1.566  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.805  -2.640   1.072  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.832  -0.745   2.377  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.291  -1.178   2.449  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.995  -0.285  -0.482  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.880  -1.082  -1.389  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.009   0.599  -0.233  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.004   1.700   0.758  1.00  0.00           C  
HETATM   18  C   UNL     1       1.320   0.685  -0.882  1.00  0.00           C  
HETATM   19  C   UNL     1       1.574   2.199  -1.048  1.00  0.00           C  
HETATM   20  C   UNL     1       0.698   2.870   0.037  1.00  0.00           C  
HETATM   21  C   UNL     1       0.397   3.088  -1.454  1.00  0.00           C  
HETATM   22  C   UNL     1       0.721   4.461  -2.046  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.842   2.398  -2.029  1.00  0.00           C  
HETATM   24  C   UNL     1       2.377   0.068  -0.003  1.00  0.00           C  
HETATM   25  O   UNL     1       2.161  -0.098   1.179  1.00  0.00           O  
HETATM   26  N   UNL     1       3.562  -0.299  -0.529  1.00  0.00           N  
HETATM   27  C   UNL     1       4.589  -0.899   0.326  1.00  0.00           C  
HETATM   28  C   UNL     1       5.520  -1.765  -0.526  1.00  0.00           C  
HETATM   29  C   UNL     1       4.734  -2.944  -1.103  1.00  0.00           C  
HETATM   30  C   UNL     1       5.516  -3.995  -1.893  1.00  0.00           C  
HETATM   31  C   UNL     1       4.589  -3.020  -2.624  1.00  0.00           C  
HETATM   32  O   UNL     1       6.023   1.019   0.005  1.00  0.00           O  
HETATM   33  C   UNL     1       5.399   0.208   1.003  1.00  0.00           C  
HETATM   34  O   UNL     1       4.304   2.225   1.553  1.00  0.00           O  
HETATM   35  N   UNL     1       3.860   0.529   2.912  1.00  0.00           N  
HETATM   36  C   UNL     1       4.482   1.060   1.842  1.00  0.00           C  
HETATM   37  H   UNL     1      -7.997  -2.051  -1.338  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.035  -0.631  -1.068  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.845  -0.625  -2.392  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.524  -0.430   1.673  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.263  -0.516   1.305  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.225  -1.937   1.036  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.861   1.491  -1.499  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.051   1.485  -0.175  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.312   1.572   0.192  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.224  -1.330  -1.198  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.439   0.729   0.718  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.915  -2.664   0.443  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.664  -3.301   1.927  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.668  -2.973   0.495  1.00  0.00           H  
HETATM   51  H   UNL     1       0.072  -0.854   1.777  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.961   0.302   2.652  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.744  -1.350   3.279  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.150  -1.839   3.304  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.460  -0.160   2.801  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.154  -1.510   1.871  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.025   1.975   1.025  1.00  0.00           H  
HETATM   58  H   UNL     1       0.556   1.410   1.647  1.00  0.00           H  
HETATM   59  H   UNL     1       1.300   0.194  -1.855  1.00  0.00           H  
HETATM   60  H   UNL     1       2.592   2.518  -1.275  1.00  0.00           H  
HETATM   61  H   UNL     1       1.071   3.691   0.650  1.00  0.00           H  
HETATM   62  H   UNL     1       1.313   4.335  -2.952  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.206   4.981  -2.286  1.00  0.00           H  
HETATM   64  H   UNL     1       1.287   5.045  -1.320  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.245   1.703  -1.293  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.595   3.148  -2.272  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.568   1.853  -2.932  1.00  0.00           H  
HETATM   68  H   UNL     1       3.734  -0.167  -1.475  1.00  0.00           H  
HETATM   69  H   UNL     1       4.112  -1.518   1.086  1.00  0.00           H  
HETATM   70  H   UNL     1       5.927  -1.166  -1.341  1.00  0.00           H  
HETATM   71  H   UNL     1       6.335  -2.139   0.093  1.00  0.00           H  
HETATM   72  H   UNL     1       3.895  -3.290  -0.499  1.00  0.00           H  
HETATM   73  H   UNL     1       6.590  -3.846  -2.003  1.00  0.00           H  
HETATM   74  H   UNL     1       5.191  -5.032  -1.811  1.00  0.00           H  
HETATM   75  H   UNL     1       3.654  -3.416  -3.021  1.00  0.00           H  
HETATM   76  H   UNL     1       5.054  -2.230  -3.214  1.00  0.00           H  
HETATM   77  H   UNL     1       5.402   1.449  -0.598  1.00  0.00           H  
HETATM   78  H   UNL     1       6.163  -0.238   1.639  1.00  0.00           H  
HETATM   79  H   UNL     1       3.270   1.077   3.452  1.00  0.00           H  
HETATM   80  H   UNL     1       4.002  -0.403   3.143  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    8    3    1    1                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    6    7                                       
CONECT    5    4   37   38   39                                       
CONECT    6    4   40   41   42                                       
CONECT    7    4   43   44   45                                       
CONECT    8    9    2   46                                            
CONECT    9   10    8   14   47                                       
CONECT   10   12   13   11    9                                       
CONECT   11   10   48   49   50                                       
CONECT   12   10   51   52   53                                       
CONECT   13   10   54   55   56                                       
CONECT   14    9   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   18                                            
CONECT   17   16   20   57   58                                       
CONECT   18   16   24   19   59                                       
CONECT   19   18   20   21   60                                       
CONECT   20   17   19   21   61                                       
CONECT   21   20   19   23   22                                       
CONECT   22   21   62   63   64                                       
CONECT   23   21   65   66   67                                       
CONECT   24   25   25   26   18                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   68                                            
CONECT   27   28   26   33   69                                       
CONECT   28   29   27   70   71                                       
CONECT   29   30   31   28   72                                       
CONECT   30   31   29   73   74                                       
CONECT   31   30   29   75   76                                       
CONECT   32   33   77                                                 
CONECT   33   27   36   32   78                                       
CONECT   34   36   36                                                 
CONECT   35   36   79   80                                            
CONECT   36   34   34   35   33                                       
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
