COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.224  -0.696  -8.635  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.954  -1.289  -8.287  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.243  -2.230  -9.138  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.270  -2.296 -10.080  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.057  -3.105 -11.221  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.857  -3.971 -11.531  1.00  0.00           O  
HETATM    7  N   UNL     1       1.051  -2.889 -11.962  1.00  0.00           N  
HETATM    8  C   UNL     1       1.941  -1.921 -11.603  1.00  0.00           C  
HETATM    9  N   UNL     1       3.062  -1.728 -12.372  1.00  0.00           N  
HETATM   10  N   UNL     1       1.755  -1.164 -10.546  1.00  0.00           N  
HETATM   11  C   UNL     1       0.677  -1.315  -9.767  1.00  0.00           C  
HETATM   12  O   UNL     1       0.413   1.078  -3.750  1.00  0.00           O  
HETATM   13  C   UNL     1       0.003   1.996  -4.765  1.00  0.00           C  
HETATM   14  C   UNL     1       0.790   1.722  -6.048  1.00  0.00           C  
HETATM   15  O   UNL     1       0.522   0.386  -6.526  1.00  0.00           O  
HETATM   16  C   UNL     1       0.311   2.651  -7.185  1.00  0.00           C  
HETATM   17  O   UNL     1       1.185   3.774  -7.316  1.00  0.00           O  
HETATM   18  C   UNL     1       0.375   1.763  -8.450  1.00  0.00           C  
HETATM   19  O   UNL     1       1.289   2.312  -9.401  1.00  0.00           O  
HETATM   20  C   UNL     1       0.883   0.402  -7.925  1.00  0.00           C  
HETATM   21  P   UNL     1      -0.450   1.422  -2.435  1.00  0.00           P  
HETATM   22  O   UNL     1      -0.182   2.817  -2.020  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.017   1.252  -2.762  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.038   0.420  -1.245  1.00  0.00           O  
HETATM   25  P   UNL     1      -0.935   0.819   0.030  1.00  0.00           P  
HETATM   26  O   UNL     1      -2.368   0.672  -0.307  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.635   2.347   0.440  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.573  -0.148   1.265  1.00  0.00           O  
HETATM   29  P   UNL     1      -1.501   0.305   2.500  1.00  0.00           P  
HETATM   30  O   UNL     1      -2.926   0.165   2.123  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.192   1.841   2.868  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.190  -0.625   3.776  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.041  -0.176   4.832  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.793  -1.024   6.082  1.00  0.00           C  
HETATM   35  O   UNL     1      -0.432  -0.869   6.516  1.00  0.00           O  
HETATM   36  C   UNL     1      -2.701  -0.542   7.230  1.00  0.00           C  
HETATM   37  O   UNL     1      -3.567  -1.591   7.666  1.00  0.00           O  
HETATM   38  C   UNL     1      -1.708  -0.154   8.357  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.194  -0.578   9.632  1.00  0.00           O  
HETATM   40  C   UNL     1      -0.438  -0.947   7.957  1.00  0.00           C  
HETATM   41  N   UNL     1       0.762  -0.317   8.513  1.00  0.00           N  
HETATM   42  C   UNL     1       1.473   0.701   7.949  1.00  0.00           C  
HETATM   43  N   UNL     1       2.480   1.012   8.713  1.00  0.00           N  
HETATM   44  C   UNL     1       2.475   0.214   9.808  1.00  0.00           C  
HETATM   45  C   UNL     1       3.304   0.102  10.949  1.00  0.00           C  
HETATM   46  O   UNL     1       4.271   0.830  11.092  1.00  0.00           O  
HETATM   47  N   UNL     1       2.997  -0.832  11.875  1.00  0.00           N  
HETATM   48  C   UNL     1       1.913  -1.640  11.705  1.00  0.00           C  
HETATM   49  N   UNL     1       1.626  -2.580  12.663  1.00  0.00           N  
HETATM   50  N   UNL     1       1.135  -1.546  10.650  1.00  0.00           N  
HETATM   51  C   UNL     1       1.373  -0.640   9.694  1.00  0.00           C  
HETATM   52  H   UNL     1      -1.557  -1.019  -7.432  1.00  0.00           H  
HETATM   53  H   UNL     1       1.219  -3.431 -12.749  1.00  0.00           H  
HETATM   54  H   UNL     1       3.702  -1.041 -12.132  1.00  0.00           H  
HETATM   55  H   UNL     1       3.215  -2.282 -13.154  1.00  0.00           H  
HETATM   56  H   UNL     1       0.196   3.016  -4.432  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.061   1.873  -4.959  1.00  0.00           H  
HETATM   58  H   UNL     1       1.858   1.855  -5.874  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.710   2.983  -7.002  1.00  0.00           H  
HETATM   60  H   UNL     1       0.837   4.317  -8.037  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.614   1.655  -8.892  1.00  0.00           H  
HETATM   62  H   UNL     1       0.950   3.184  -9.644  1.00  0.00           H  
HETATM   63  H   UNL     1       1.965   0.331  -8.038  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.148   0.331  -3.028  1.00  0.00           H  
HETATM   65  H   UNL     1       0.306   2.400   0.653  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.256   1.889   3.107  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.824   0.868   5.054  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.082  -0.274   4.527  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.996  -2.072   5.864  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.282   0.325   6.918  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.064  -1.248   8.422  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.514   0.918   8.354  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.981  -0.049   9.821  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.513  -1.983   8.286  1.00  0.00           H  
HETATM   75  H   UNL     1       1.237   1.178   7.009  1.00  0.00           H  
HETATM   76  H   UNL     1       3.551  -0.927  12.666  1.00  0.00           H  
HETATM   77  H   UNL     1       0.858  -3.163  12.555  1.00  0.00           H  
HETATM   78  H   UNL     1       2.191  -2.662  13.447  1.00  0.00           H  
CONECT    1    2   11   20                                            
CONECT    2    1    3    3   52                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5   11   11                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   53                                            
CONECT    8    7    9   10   10                                       
CONECT    9    8   54   55                                            
CONECT   10    8    8   11                                            
CONECT   11    1    4    4   10                                       
CONECT   12   13   21                                                 
CONECT   13   12   14   56   57                                       
CONECT   14   13   15   16   58                                       
CONECT   15   14   20                                                 
CONECT   16   14   17   18   59                                       
CONECT   17   16   60                                                 
CONECT   18   16   19   20   61                                       
CONECT   19   18   62                                                 
CONECT   20    1   15   18   63                                       
CONECT   21   12   22   22   23                                       
CONECT   21   24                                                      
CONECT   22   21   21                                                 
CONECT   23   21   64                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   26   27                                       
CONECT   25   28                                                      
CONECT   26   25   25                                                 
CONECT   27   25   65                                                 
CONECT   28   25   29                                                 
CONECT   29   28   30   30   31                                       
CONECT   29   32                                                      
CONECT   30   29   29                                                 
CONECT   31   29   66                                                 
CONECT   32   29   33                                                 
CONECT   33   32   34   67   68                                       
CONECT   34   33   35   36   69                                       
CONECT   35   34   40                                                 
CONECT   36   34   37   38   70                                       
CONECT   37   36   71                                                 
CONECT   38   36   39   40   72                                       
CONECT   39   38   73                                                 
CONECT   40   35   38   41   74                                       
CONECT   41   40   42   51                                            
CONECT   42   41   43   43   75                                       
CONECT   43   42   42   44                                            
CONECT   44   43   45   51   51                                       
CONECT   45   44   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47   45   48   76                                            
CONECT   48   47   49   50   50                                       
CONECT   49   48   77   78                                            
CONECT   50   48   48   51                                            
CONECT   51   41   44   44   50                                       
CONECT   52    2                                                      
CONECT   53    7                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   23                                                      
CONECT   65   27                                                      
CONECT   66   31                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   42                                                      
CONECT   76   47                                                      
CONECT   77   49                                                      
CONECT   78   49                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
