COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.658  -2.933   1.185  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.814  -3.447   0.095  1.00  0.00           C  
HETATM    3  N   UNL     1      -8.223  -4.728   0.006  1.00  0.00           N  
HETATM    4  C   UNL     1      -7.561  -2.664  -1.134  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.133  -1.340  -1.045  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.745  -3.251  -2.388  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.508  -2.519  -3.533  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.089  -1.204  -3.445  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.893  -0.615  -2.202  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.405   1.381  -0.816  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.079   1.279  -0.282  1.00  0.00           O  
HETATM   12  C   UNL     1      -6.728   2.882  -0.977  1.00  0.00           C  
HETATM   13  O   UNL     1      -6.489   3.312  -2.319  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.724   3.544   0.006  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.387   4.867  -0.414  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.511   2.589  -0.126  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.650   2.647   1.137  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.510   1.800   0.976  1.00  0.00           O  
HETATM   19  P   UNL     1      -1.386   1.617   2.114  1.00  0.00           P  
HETATM   20  O   UNL     1      -0.621   3.016   2.342  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.027   1.193   3.379  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.327   0.497   1.647  1.00  0.00           O  
HETATM   23  P   UNL     1       0.741  -0.424   2.423  1.00  0.00           P  
HETATM   24  O   UNL     1      -0.016  -1.680   3.088  1.00  0.00           O  
HETATM   25  O   UNL     1       1.401   0.371   3.483  1.00  0.00           O  
HETATM   26  O   UNL     1       1.848  -0.955   1.382  1.00  0.00           O  
HETATM   27  C   UNL     1       2.992  -1.713   1.781  1.00  0.00           C  
HETATM   28  C   UNL     1       3.833  -2.054   0.549  1.00  0.00           C  
HETATM   29  C   UNL     1       5.011  -2.961   0.954  1.00  0.00           C  
HETATM   30  O   UNL     1       4.941  -4.210   0.262  1.00  0.00           O  
HETATM   31  C   UNL     1       6.267  -2.169   0.518  1.00  0.00           C  
HETATM   32  O   UNL     1       7.241  -3.038  -0.065  1.00  0.00           O  
HETATM   33  C   UNL     1       5.688  -1.199  -0.542  1.00  0.00           C  
HETATM   34  O   UNL     1       4.391  -0.853  -0.009  1.00  0.00           O  
HETATM   35  N   UNL     1       6.530  -0.006  -0.665  1.00  0.00           N  
HETATM   36  C   UNL     1       7.646   0.122  -1.452  1.00  0.00           C  
HETATM   37  C   UNL     1       8.118   1.429  -1.247  1.00  0.00           C  
HETATM   38  N   UNL     1       7.280   2.021  -0.361  1.00  0.00           N  
HETATM   39  C   UNL     1       6.345   1.182  -0.023  1.00  0.00           C  
HETATM   40  N   UNL     1       8.301  -0.677  -2.289  1.00  0.00           N  
HETATM   41  C   UNL     1       9.377  -0.252  -2.918  1.00  0.00           C  
HETATM   42  N   UNL     1       9.857   0.967  -2.757  1.00  0.00           N  
HETATM   43  C   UNL     1       9.270   1.836  -1.941  1.00  0.00           C  
HETATM   44  N   UNL     1       9.781   3.112  -1.778  1.00  0.00           N  
HETATM   45  N   UNL     1      -6.469   0.714  -2.118  1.00  0.00           N  
HETATM   46  H   UNL     1      -8.392  -5.240   0.812  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.347  -5.138  -0.864  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.990  -0.881  -0.078  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.072  -4.277  -2.461  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.650  -2.974  -4.502  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.904  -0.637  -4.345  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.116   0.922  -0.129  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.756   3.092  -0.682  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.034   2.862  -2.979  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.114   3.545   1.024  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.141   5.472  -0.450  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.917   2.851  -1.002  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.319   3.672   1.305  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.235   2.310   1.992  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.177   3.354   1.553  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.472  -2.247   2.451  1.00  0.00           H  
HETATM   62  H   UNL     1       3.590  -1.128   2.479  1.00  0.00           H  
HETATM   63  H   UNL     1       2.667  -2.634   2.265  1.00  0.00           H  
HETATM   64  H   UNL     1       3.214  -2.556  -0.195  1.00  0.00           H  
HETATM   65  H   UNL     1       5.016  -3.122   2.032  1.00  0.00           H  
HETATM   66  H   UNL     1       5.659  -4.820   0.479  1.00  0.00           H  
HETATM   67  H   UNL     1       6.692  -1.620   1.358  1.00  0.00           H  
HETATM   68  H   UNL     1       7.568  -3.722   0.536  1.00  0.00           H  
HETATM   69  H   UNL     1       5.588  -1.698  -1.506  1.00  0.00           H  
HETATM   70  H   UNL     1       5.541   1.395   0.667  1.00  0.00           H  
HETATM   71  H   UNL     1       9.885  -0.926  -3.591  1.00  0.00           H  
HETATM   72  H   UNL     1       9.344   3.737  -1.179  1.00  0.00           H  
HETATM   73  H   UNL     1      10.577   3.381  -2.263  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.218   1.195  -2.922  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    3    1    1                                       
CONECT    3    2   46   47                                            
CONECT    4    5    5    6    2                                       
CONECT    5    9    4    4   48                                       
CONECT    6    7    7    4   49                                       
CONECT    7    8    6    6   50                                       
CONECT    8    9    9    7   51                                       
CONECT    9   45    8    8    5                                       
CONECT   10   11   45   12   52                                       
CONECT   11   16   10                                                 
CONECT   12   14   13   10   53                                       
CONECT   13   12   54                                                 
CONECT   14   15   16   12   55                                       
CONECT   15   14   56                                                 
CONECT   16   11   14   17   57                                       
CONECT   17   16   18   58   59                                       
CONECT   18   17   19                                                 
CONECT   19   18   21   21   22                                       
CONECT   19   20                                                      
CONECT   20   19   60                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23                                                 
CONECT   23   22   25   25   26                                       
CONECT   23   24                                                      
CONECT   24   23   61                                                 
CONECT   25   23   23                                                 
CONECT   26   27   23                                                 
CONECT   27   28   26   62   63                                       
CONECT   28   27   34   29   64                                       
CONECT   29   28   30   31   65                                       
CONECT   30   29   66                                                 
CONECT   31   32   29   33   67                                       
CONECT   32   31   68                                                 
CONECT   33   34   31   35   69                                       
CONECT   34   28   33                                                 
CONECT   35   33   39   36                                            
CONECT   36   35   40   40   37                                       
CONECT   37   36   38   43   43                                       
CONECT   38   39   39   37                                            
CONECT   39   35   38   38   70                                       
CONECT   40   36   36   41                                            
CONECT   41   40   42   42   71                                       
CONECT   42   41   41   43                                            
CONECT   43   37   37   42   44                                       
CONECT   44   43   72   73                                            
CONECT   45   10    9   74                                            
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   20                                                      
CONECT   61   24                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   39                                                      
CONECT   71   41                                                      
CONECT   72   44                                                      
CONECT   73   44                                                      
CONECT   74   45                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
