COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.790  -4.880   2.503  1.00  0.00           O  
HETATM    2  C   UNL     1      -8.289  -4.346   1.373  1.00  0.00           C  
HETATM    3  O   UNL     1      -8.393  -4.944   0.321  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.614  -3.033   1.412  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.483  -2.336   2.619  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.841  -1.109   2.602  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.355  -0.617   1.405  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.090  -2.468   0.248  1.00  0.00           C  
HETATM    9  N   UNL     1      -6.493  -1.296   0.282  1.00  0.00           N1+
HETATM   10  C   UNL     1      -5.962  -0.731  -0.961  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.932   0.332  -1.537  1.00  0.00           C  
HETATM   12  O   UNL     1      -7.930  -0.280  -2.357  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.983   1.212  -2.385  1.00  0.00           C  
HETATM   14  O   UNL     1      -6.039   0.827  -3.760  1.00  0.00           O  
HETATM   15  O   UNL     1      -4.755   0.019  -0.704  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.584   0.929  -1.803  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.954   2.232  -1.307  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.621   1.977  -0.861  1.00  0.00           O  
HETATM   19  P   UNL     1      -1.658   3.125  -0.271  1.00  0.00           P  
HETATM   20  O   UNL     1      -1.551   4.230  -1.251  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.274   3.688   1.106  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.197   2.510   0.006  1.00  0.00           O  
HETATM   23  P   UNL     1       1.253   3.153   0.287  1.00  0.00           P  
HETATM   24  O   UNL     1       1.857   3.733  -1.088  1.00  0.00           O  
HETATM   25  O   UNL     1       1.123   4.251   1.271  1.00  0.00           O  
HETATM   26  O   UNL     1       2.238   2.022   0.871  1.00  0.00           O  
HETATM   27  C   UNL     1       3.566   2.301   1.318  1.00  0.00           C  
HETATM   28  C   UNL     1       4.221   1.009   1.809  1.00  0.00           C  
HETATM   29  C   UNL     1       5.614   1.317   2.392  1.00  0.00           C  
HETATM   30  O   UNL     1       5.678   0.927   3.765  1.00  0.00           O  
HETATM   31  C   UNL     1       6.581   0.459   1.540  1.00  0.00           C  
HETATM   32  O   UNL     1       7.590  -0.137   2.358  1.00  0.00           O  
HETATM   33  C   UNL     1       5.631  -0.620   0.959  1.00  0.00           C  
HETATM   34  O   UNL     1       4.410   0.107   0.705  1.00  0.00           O  
HETATM   35  N   UNL     1       6.174  -1.169  -0.286  1.00  0.00           N  
HETATM   36  C   UNL     1       5.869  -0.757  -1.549  1.00  0.00           C  
HETATM   37  N   UNL     1       6.532  -1.462  -2.419  1.00  0.00           N  
HETATM   38  C   UNL     1       7.303  -2.368  -1.771  1.00  0.00           C  
HETATM   39  C   UNL     1       7.087  -2.187  -0.395  1.00  0.00           C  
HETATM   40  C   UNL     1       8.205  -3.366  -2.176  1.00  0.00           C  
HETATM   41  N   UNL     1       8.463  -3.586  -3.517  1.00  0.00           N  
HETATM   42  N   UNL     1       8.806  -4.094  -1.240  1.00  0.00           N  
HETATM   43  C   UNL     1       8.566  -3.891   0.043  1.00  0.00           C  
HETATM   44  N   UNL     1       7.738  -2.960   0.468  1.00  0.00           N  
HETATM   45  H   UNL     1      -9.223  -5.741   2.428  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.872  -2.744   3.540  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.722  -0.543   3.514  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.854   0.340   1.389  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.180  -2.996  -0.690  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.778  -1.519  -1.691  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.391   0.913  -0.737  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.561   0.344  -2.740  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.239   2.266  -2.274  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.913   0.929  -4.162  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.951   0.476  -2.565  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.933   2.958  -2.119  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.544   2.629  -0.480  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.374   3.017   1.795  1.00  0.00           H  
HETATM   59  H   UNL     1       1.970   3.068  -1.780  1.00  0.00           H  
HETATM   60  H   UNL     1       4.147   2.713   0.493  1.00  0.00           H  
HETATM   61  H   UNL     1       3.530   3.023   2.134  1.00  0.00           H  
HETATM   62  H   UNL     1       3.595   0.540   2.567  1.00  0.00           H  
HETATM   63  H   UNL     1       5.848   2.376   2.284  1.00  0.00           H  
HETATM   64  H   UNL     1       6.550   1.045   4.167  1.00  0.00           H  
HETATM   65  H   UNL     1       7.028   1.053   0.743  1.00  0.00           H  
HETATM   66  H   UNL     1       8.154   0.502   2.815  1.00  0.00           H  
HETATM   67  H   UNL     1       5.461  -1.413   1.687  1.00  0.00           H  
HETATM   68  H   UNL     1       5.178   0.037  -1.792  1.00  0.00           H  
HETATM   69  H   UNL     1       8.019  -3.048  -4.191  1.00  0.00           H  
HETATM   70  H   UNL     1       9.088  -4.279  -3.784  1.00  0.00           H  
HETATM   71  H   UNL     1       9.076  -4.505   0.771  1.00  0.00           H  
CONECT    1    2   45                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    5    8                                       
CONECT    5    4    4    6   46                                       
CONECT    6    5    7    7   47                                       
CONECT    7    6    6    9   48                                       
CONECT    8    4    9    9   49                                       
CONECT    9    8    8    7   10                                       
CONECT   10    9   11   15   50                                       
CONECT   11   10   12   13   51                                       
CONECT   12   11   52                                                 
CONECT   13   11   16   14   53                                       
CONECT   14   13   54                                                 
CONECT   15   10   16                                                 
CONECT   16   15   13   17   55                                       
CONECT   17   18   16   56   57                                       
CONECT   18   19   17                                                 
CONECT   19   20   20   18   21                                       
CONECT   19   22                                                      
CONECT   20   19   19                                                 
CONECT   21   19   58                                                 
CONECT   22   19   23                                                 
CONECT   23   22   25   25   26                                       
CONECT   23   24                                                      
CONECT   24   23   59                                                 
CONECT   25   23   23                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   60   61                                       
CONECT   28   29   27   34   62                                       
CONECT   29   30   31   28   63                                       
CONECT   30   29   64                                                 
CONECT   31   32   29   33   65                                       
CONECT   32   31   66                                                 
CONECT   33   31   34   35   67                                       
CONECT   34   28   33                                                 
CONECT   35   33   36   39                                            
CONECT   36   35   37   37   68                                       
CONECT   37   36   36   38                                            
CONECT   38   39   37   40   40                                       
CONECT   39   35   44   44   38                                       
CONECT   40   38   38   42   41                                       
CONECT   41   40   69   70                                            
CONECT   42   43   43   40                                            
CONECT   43   44   42   42   71                                       
CONECT   44   39   39   43                                            
CONECT   45    1                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   21                                                      
CONECT   59   24                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   36                                                      
CONECT   69   41                                                      
CONECT   70   41                                                      
CONECT   71   43                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
