COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.795   0.194  -0.546  1.00  0.00           C  
HETATM    2  C   UNL     1       3.153  -1.055   0.070  1.00  0.00           C  
HETATM    3  C   UNL     1       3.901  -1.399   1.359  1.00  0.00           C  
HETATM    4  C   UNL     1       3.078   0.516  -1.857  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.160  -4.901  -0.486  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.464  -3.747  -1.210  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.608  -3.933  -2.722  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.096  -2.446  -0.803  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.483  -1.443  -0.218  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.532  -2.090  -1.089  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.605  -0.563  -0.963  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.497  -0.378   0.105  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.140  -0.482   1.487  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.867   0.946  -0.172  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.862   1.494   0.454  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.441   2.924   0.109  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.640   3.769  -0.322  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.188   5.057  -0.745  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.237   5.930  -1.170  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.896   3.436   1.444  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.051   2.283   2.445  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.922   1.048   1.515  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.853  -0.221   2.292  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.751  -0.209   3.536  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.957  -1.530   1.559  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.039  -2.330   2.051  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.000  -1.395   0.054  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.342  -0.267  -0.503  1.00  0.00           O  
HETATM   29  C   UNL     1       1.022  -0.506  -0.855  1.00  0.00           C  
HETATM   30  O   UNL     1       1.776  -0.787   0.328  1.00  0.00           O  
HETATM   31  O   UNL     1       5.291  -1.553   1.045  1.00  0.00           O  
HETATM   32  C   UNL     1       5.887  -0.409   0.431  1.00  0.00           C  
HETATM   33  C   UNL     1       7.345  -0.720   0.087  1.00  0.00           C  
HETATM   34  C   UNL     1       5.835   0.773   1.401  1.00  0.00           C  
HETATM   35  O   UNL     1       5.181  -0.069  -0.768  1.00  0.00           O  
HETATM   36  O   UNL     1       3.628   1.705  -2.427  1.00  0.00           O  
HETATM   37  C   UNL     1       1.589   0.730  -1.556  1.00  0.00           C  
HETATM   38  O   UNL     1       0.883   0.950  -2.778  1.00  0.00           O  
HETATM   39  H   UNL     1       3.691   1.033   0.141  1.00  0.00           H  
HETATM   40  H   UNL     1       3.236  -1.888  -0.628  1.00  0.00           H  
HETATM   41  H   UNL     1       3.775  -0.594   2.083  1.00  0.00           H  
HETATM   42  H   UNL     1       3.512  -2.329   1.773  1.00  0.00           H  
HETATM   43  H   UNL     1       3.198  -0.314  -2.554  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.702  -5.845  -0.781  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.058  -4.768   0.591  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.217  -4.912  -0.752  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.407  -3.737  -0.945  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.665  -3.944  -2.988  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.112  -3.111  -3.238  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.149  -4.877  -3.017  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.792  -2.391  -2.101  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.186  -2.560  -0.363  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.325  -0.073  -1.885  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.560  -0.240  -0.573  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.854  -1.306   1.494  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.368  -0.665   2.235  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.657   0.449   1.719  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.286   1.498  -1.036  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.670   2.907  -0.657  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.155   3.276  -1.146  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.326   3.882   0.518  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.812   6.886  -1.475  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.764   5.481  -2.012  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.934   6.088  -0.348  1.00  0.00           H  
HETATM   65  H   UNL     1       0.156   3.696   1.341  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.470   4.297   1.778  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.248   2.291   3.169  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.032   2.318   2.900  1.00  0.00           H  
HETATM   69  H   UNL     1       0.107   1.183   1.069  1.00  0.00           H  
HETATM   70  H   UNL     1       0.195  -0.232   2.736  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.709   0.249   3.289  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.914  -1.232   3.876  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.268   0.364   4.328  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.032  -2.117   1.807  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.136  -3.181   1.602  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.513  -2.296  -0.396  1.00  0.00           H  
HETATM   77  H   UNL     1       1.077  -1.361  -1.530  1.00  0.00           H  
HETATM   78  H   UNL     1       7.384  -1.564  -0.601  1.00  0.00           H  
HETATM   79  H   UNL     1       7.801   0.152  -0.382  1.00  0.00           H  
HETATM   80  H   UNL     1       7.888  -0.968   0.998  1.00  0.00           H  
HETATM   81  H   UNL     1       6.382   0.521   2.309  1.00  0.00           H  
HETATM   82  H   UNL     1       6.289   1.647   0.933  1.00  0.00           H  
HETATM   83  H   UNL     1       4.797   0.993   1.651  1.00  0.00           H  
HETATM   84  H   UNL     1       3.218   1.967  -3.262  1.00  0.00           H  
HETATM   85  H   UNL     1       1.472   1.599  -0.909  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.066   1.093  -2.664  1.00  0.00           H  
CONECT    1   35    2    4   39                                       
CONECT    2    3    1   30   40                                       
CONECT    3   31    2   41   42                                       
CONECT    4    1   36   37   43                                       
CONECT    5    6   44   45   46                                       
CONECT    6    5    7    8   47                                       
CONECT    7    6   48   49   50                                       
CONECT    8   10    6    9    9                                       
CONECT    9    8    8   12   27                                       
CONECT   10   11    8   51   52                                       
CONECT   11   10   12   53   54                                       
CONECT   12   11   14    9   13                                       
CONECT   13   12   55   56   57                                       
CONECT   14   12   15   15   58                                       
CONECT   15   16   14   14   22                                       
CONECT   16   15   20   17   59                                       
CONECT   17   18   16   60   61                                       
CONECT   18   19   17                                                 
CONECT   19   18   62   63   64                                       
CONECT   20   16   21   65   66                                       
CONECT   21   20   22   67   68                                       
CONECT   22   15   21   23   69                                       
CONECT   23   22   25   24   70                                       
CONECT   24   23   71   72   73                                       
CONECT   25   27   23   26   74                                       
CONECT   26   25   75                                                 
CONECT   27    9   25   28   76                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   37   77                                       
CONECT   30    2   29                                                 
CONECT   31   32    3                                                 
CONECT   32   33   31   34   35                                       
CONECT   33   32   78   79   80                                       
CONECT   34   32   81   82   83                                       
CONECT   35   32    1                                                 
CONECT   36    4   84                                                 
CONECT   37   29    4   38   85                                       
CONECT   38   37   86                                                 
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   29                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
