COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK     1      -5.459   1.657  -3.887  1.00  0.00           N  
HETATM    2  C   UNK     1      -5.479   1.779  -2.589  1.00  0.00           C  
HETATM    3  N   UNK     1      -6.183   0.879  -1.825  1.00  0.00           N  
HETATM    4  C   UNK     1      -6.911  -0.218  -2.469  1.00  0.00           C  
HETATM    5  C   UNK     1      -7.604  -1.067  -1.401  1.00  0.00           C  
HETATM    6  C   UNK     1      -8.364  -2.212  -2.073  1.00  0.00           C  
HETATM    7  C   UNK     1      -9.056  -3.061  -1.005  1.00  0.00           C  
HETATM    8  N   UNK     1      -8.043  -3.709  -0.162  1.00  0.00           N  
HETATM    9  C   UNK     1      -9.904  -4.114  -1.672  1.00  0.00           C  
HETATM   10  O   UNK     1      -9.493  -5.246  -1.771  1.00  0.00           O  
HETATM   11  O   UNK     1     -11.114  -3.794  -2.155  1.00  0.00           O  
HETATM   12  N   UNK     1      -4.796   2.807  -1.985  1.00  0.00           N  
HETATM   13  C   UNK     1      -4.913   3.015  -0.540  1.00  0.00           C  
HETATM   14  O   UNK     1      -3.848   2.338   0.137  1.00  0.00           O  
HETATM   15  C   UNK     1      -3.028   3.288   0.836  1.00  0.00           C  
HETATM   16  C   UNK     1      -2.546   2.700   2.163  1.00  0.00           C  
HETATM   17  O   UNK     1      -1.607   1.653   1.907  1.00  0.00           O  
HETATM   18  P   UNK     1      -0.894   0.809   3.079  1.00  0.00           P  
HETATM   19  O   UNK     1      -2.002  -0.043   3.878  1.00  0.00           O  
HETATM   20  O   UNK     1      -0.217   1.737   4.012  1.00  0.00           O  
HETATM   21  O   UNK     1       0.191  -0.191   2.435  1.00  0.00           O  
HETATM   22  P   UNK     1       1.415  -1.049   3.034  1.00  0.00           P  
HETATM   23  O   UNK     1       0.846  -2.396   3.709  1.00  0.00           O  
HETATM   24  O   UNK     1       2.126  -0.248   4.055  1.00  0.00           O  
HETATM   25  O   UNK     1       2.433  -1.433   1.847  1.00  0.00           O  
HETATM   26  C   UNK     1       3.674  -2.104   2.073  1.00  0.00           C  
HETATM   27  C   UNK     1       4.391  -2.313   0.738  1.00  0.00           C  
HETATM   28  O   UNK     1       4.852  -1.050   0.211  1.00  0.00           O  
HETATM   29  C   UNK     1       5.897  -1.387  -0.727  1.00  0.00           C  
HETATM   30  N   UNK     1       6.765  -0.230  -0.960  1.00  0.00           N  
HETATM   31  C   UNK     1       6.945   0.826  -0.118  1.00  0.00           C  
HETATM   32  N   UNK     1       7.785   1.673  -0.639  1.00  0.00           N  
HETATM   33  C   UNK     1       8.196   1.215  -1.846  1.00  0.00           C  
HETATM   34  C   UNK     1       9.073   1.689  -2.836  1.00  0.00           C  
HETATM   35  N   UNK     1       9.741   2.890  -2.675  1.00  0.00           N  
HETATM   36  N   UNK     1       9.245   0.957  -3.932  1.00  0.00           N  
HETATM   37  C   UNK     1       8.613  -0.191  -4.095  1.00  0.00           C  
HETATM   38  N   UNK     1       7.783  -0.674  -3.194  1.00  0.00           N  
HETATM   39  C   UNK     1       7.551  -0.014  -2.064  1.00  0.00           C  
HETATM   40  C   UNK     1       6.688  -2.524  -0.044  1.00  0.00           C  
HETATM   41  O   UNK     1       7.108  -3.491  -1.009  1.00  0.00           O  
HETATM   42  C   UNK     1       5.675  -3.148   0.941  1.00  0.00           C  
HETATM   43  O   UNK     1       5.438  -4.519   0.615  1.00  0.00           O  
HETATM   44  C   UNK     1      -3.949   4.507   1.091  1.00  0.00           C  
HETATM   45  O   UNK     1      -3.188   5.709   1.224  1.00  0.00           O  
HETATM   46  C   UNK     1      -4.793   4.520  -0.215  1.00  0.00           C  
HETATM   47  O   UNK     1      -4.103   5.210  -1.259  1.00  0.00           O  
HETATM   48  H   UNK     1      -5.024   2.332  -4.431  1.00  0.00           H  
HETATM   49  H   UNK     1      -6.198   0.969  -0.859  1.00  0.00           H  
HETATM   50  H   UNK     1      -7.658   0.192  -3.148  1.00  0.00           H  
HETATM   51  H   UNK     1      -6.212  -0.838  -3.029  1.00  0.00           H  
HETATM   52  H   UNK     1      -6.856  -1.476  -0.721  1.00  0.00           H  
HETATM   53  H   UNK     1      -8.303  -0.446  -0.840  1.00  0.00           H  
HETATM   54  H   UNK     1      -9.111  -1.802  -2.753  1.00  0.00           H  
HETATM   55  H   UNK     1      -7.664  -2.832  -2.633  1.00  0.00           H  
HETATM   56  H   UNK     1      -9.689  -2.423  -0.387  1.00  0.00           H  
HETATM   57  H   UNK     1      -7.444  -4.306  -0.712  1.00  0.00           H  
HETATM   58  H   UNK     1      -7.503  -3.024   0.346  1.00  0.00           H  
HETATM   59  H   UNK     1     -11.621  -4.503  -2.574  1.00  0.00           H  
HETATM   60  H   UNK     1      -4.237   3.396  -2.516  1.00  0.00           H  
HETATM   61  H   UNK     1      -5.873   2.637  -0.189  1.00  0.00           H  
HETATM   62  H   UNK     1      -2.178   3.579   0.219  1.00  0.00           H  
HETATM   63  H   UNK     1      -2.066   3.481   2.754  1.00  0.00           H  
HETATM   64  H   UNK     1      -3.397   2.299   2.713  1.00  0.00           H  
HETATM   65  H   UNK     1      -2.486  -0.673   3.327  1.00  0.00           H  
HETATM   66  H   UNK     1       0.367  -2.971   3.096  1.00  0.00           H  
HETATM   67  H   UNK     1       4.299  -1.501   2.731  1.00  0.00           H  
HETATM   68  H   UNK     1       3.484  -3.072   2.538  1.00  0.00           H  
HETATM   69  H   UNK     1       3.728  -2.804   0.024  1.00  0.00           H  
HETATM   70  H   UNK     1       5.466  -1.735  -1.666  1.00  0.00           H  
HETATM   71  H   UNK     1       6.462   0.943   0.841  1.00  0.00           H  
HETATM   72  H   UNK     1       9.606   3.415  -1.870  1.00  0.00           H  
HETATM   73  H   UNK     1      10.343   3.207  -3.366  1.00  0.00           H  
HETATM   74  H   UNK     1       8.782  -0.754  -5.001  1.00  0.00           H  
HETATM   75  H   UNK     1       7.547  -2.123   0.494  1.00  0.00           H  
HETATM   76  H   UNK     1       7.610  -4.228  -0.634  1.00  0.00           H  
HETATM   77  H   UNK     1       6.032  -3.055   1.967  1.00  0.00           H  
HETATM   78  H   UNK     1       6.211  -5.089   0.725  1.00  0.00           H  
HETATM   79  H   UNK     1      -4.582   4.346   1.964  1.00  0.00           H  
HETATM   80  H   UNK     1      -3.724   6.498   1.385  1.00  0.00           H  
HETATM   81  H   UNK     1      -5.772   4.964  -0.040  1.00  0.00           H  
HETATM   82  H   UNK     1      -4.588   5.245  -2.095  1.00  0.00           H  
CONECT    1    2    2   48                                            
CONECT    2    3   12    1    1                                       
CONECT    3    4    2   49                                            
CONECT    4    3    5   50   51                                       
CONECT    5    4    6   52   53                                       
CONECT    6    5    7   54   55                                       
CONECT    7    6    8    9   56                                       
CONECT    8    7   57   58                                            
CONECT    9    7   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   59                                                 
CONECT   12    2   13   60                                            
CONECT   13   12   14   46   61                                       
CONECT   14   15   13                                                 
CONECT   15   16   44   14   62                                       
CONECT   16   15   17   63   64                                       
CONECT   17   16   18                                                 
CONECT   18   20   20   17   21                                       
CONECT   18   19                                                      
CONECT   19   18   65                                                 
CONECT   20   18   18                                                 
CONECT   21   22   18                                                 
CONECT   22   25   24   24   21                                       
CONECT   22   23                                                      
CONECT   23   22   66                                                 
CONECT   24   22   22                                                 
CONECT   25   26   22                                                 
CONECT   26   27   25   67   68                                       
CONECT   27   28   42   26   69                                       
CONECT   28   29   27                                                 
CONECT   29   30   28   40   70                                       
CONECT   30   39   29   31                                            
CONECT   31   30   32   32   71                                       
CONECT   32   33   31   31                                            
CONECT   33   34   34   39   32                                       
CONECT   34   36   35   33   33                                       
CONECT   35   34   72   73                                            
CONECT   36   37   37   34                                            
CONECT   37   36   36   38   74                                       
CONECT   38   37   39   39                                            
CONECT   39   38   38   33   30                                       
CONECT   40   29   41   42   75                                       
CONECT   41   40   76                                                 
CONECT   42   40   27   43   77                                       
CONECT   43   42   78                                                 
CONECT   44   45   15   46   79                                       
CONECT   45   44   80                                                 
CONECT   46   44   47   13   81                                       
CONECT   47   46   82                                                 
CONECT   48    1                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   19                                                      
CONECT   66   23                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   31                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   37                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   44                                                      
CONECT   80   45                                                      
CONECT   81   46                                                      
CONECT   82   47                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
