COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.339   4.809   1.552  1.00  0.00           C  
HETATM    2  C   UNL     1       4.205   5.686   2.610  1.00  0.00           C  
HETATM    3  N   UNL     1       5.202   5.895   3.447  1.00  0.00           N  
HETATM    4  C   UNL     1       6.364   5.285   3.318  1.00  0.00           C  
HETATM    5  C   UNL     1       6.587   4.392   2.289  1.00  0.00           C  
HETATM    6  C   UNL     1       5.556   4.138   1.376  1.00  0.00           C  
HETATM    7  C   UNL     1       5.746   3.192   0.260  1.00  0.00           C  
HETATM    8  O   UNL     1       4.845   2.986  -0.518  1.00  0.00           O  
HETATM    9  C   UNL     1       7.065   2.482   0.090  1.00  0.00           C  
HETATM   10  C   UNL     1       7.292   2.203  -1.368  1.00  0.00           C  
HETATM   11  C   UNL     1       7.128   0.969  -1.878  1.00  0.00           C  
HETATM   12  C   UNL     1       7.685   3.260  -2.223  1.00  0.00           C  
HETATM   13  O   UNL     1       7.872   3.048  -3.407  1.00  0.00           O  
HETATM   14  N   UNL     1       7.852   4.502  -1.726  1.00  0.00           N  
HETATM   15  C   UNL     1       7.044   1.207   0.883  1.00  0.00           C  
HETATM   16  C   UNL     1       6.897   0.035   0.306  1.00  0.00           C  
HETATM   17  N   UNL     1       6.758  -0.070  -1.072  1.00  0.00           N  
HETATM   18  C   UNL     1       6.215  -1.296  -1.661  1.00  0.00           C  
HETATM   19  O   UNL     1       4.996  -1.685  -0.992  1.00  0.00           O  
HETATM   20  C   UNL     1       7.166  -2.493  -1.406  1.00  0.00           C  
HETATM   21  O   UNL     1       8.172  -2.571  -2.418  1.00  0.00           O  
HETATM   22  C   UNL     1       6.199  -3.700  -1.494  1.00  0.00           C  
HETATM   23  O   UNL     1       6.260  -4.295  -2.792  1.00  0.00           O  
HETATM   24  C   UNL     1       4.807  -3.088  -1.245  1.00  0.00           C  
HETATM   25  C   UNL     1       4.156  -3.753  -0.031  1.00  0.00           C  
HETATM   26  O   UNL     1       2.828  -3.250   0.132  1.00  0.00           O  
HETATM   27  P   UNL     1       1.847  -3.733   1.314  1.00  0.00           P  
HETATM   28  O   UNL     1       2.456  -3.281   2.735  1.00  0.00           O  
HETATM   29  O   UNL     1       1.718  -5.207   1.278  1.00  0.00           O  
HETATM   30  O   UNL     1       0.397  -3.062   1.115  1.00  0.00           O  
HETATM   31  P   UNL     1      -1.063  -3.351   1.731  1.00  0.00           P  
HETATM   32  O   UNL     1      -1.680  -4.673   1.050  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.950  -3.555   3.192  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.027  -2.095   1.437  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.359  -2.001   1.946  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.991  -0.688   1.480  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.240  -0.727   0.058  1.00  0.00           O  
HETATM   38  C   UNL     1      -5.385  -0.505   2.120  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.305   0.357   3.257  1.00  0.00           O  
HETATM   40  C   UNL     1      -6.228   0.148   1.003  1.00  0.00           C  
HETATM   41  O   UNL     1      -6.695   1.435   1.416  1.00  0.00           O  
HETATM   42  P   UNL     1      -8.257   1.821   1.483  1.00  0.00           P  
HETATM   43  O   UNL     1      -8.983   0.924   2.606  1.00  0.00           O  
HETATM   44  O   UNL     1      -8.408   3.379   1.860  1.00  0.00           O  
HETATM   45  O   UNL     1      -8.885   1.568   0.167  1.00  0.00           O  
HETATM   46  C   UNL     1      -5.244   0.283  -0.180  1.00  0.00           C  
HETATM   47  N   UNL     1      -5.933   0.029  -1.448  1.00  0.00           N  
HETATM   48  C   UNL     1      -6.038  -1.173  -2.082  1.00  0.00           C  
HETATM   49  N   UNL     1      -6.717  -1.036  -3.184  1.00  0.00           N  
HETATM   50  C   UNL     1      -7.089   0.258  -3.326  1.00  0.00           C  
HETATM   51  C   UNL     1      -6.596   0.956  -2.212  1.00  0.00           C  
HETATM   52  N   UNL     1      -6.834   2.260  -2.109  1.00  0.00           N  
HETATM   53  C   UNL     1      -7.525   2.891  -3.034  1.00  0.00           C  
HETATM   54  N   UNL     1      -8.011   2.277  -4.098  1.00  0.00           N  
HETATM   55  C   UNL     1      -7.817   0.977  -4.291  1.00  0.00           C  
HETATM   56  N   UNL     1      -8.332   0.342  -5.407  1.00  0.00           N  
HETATM   57  H   UNL     1       3.516   4.639   0.873  1.00  0.00           H  
HETATM   58  H   UNL     1       3.271   6.208   2.755  1.00  0.00           H  
HETATM   59  H   UNL     1       7.153   5.488   4.028  1.00  0.00           H  
HETATM   60  H   UNL     1       7.541   3.897   2.190  1.00  0.00           H  
HETATM   61  H   UNL     1       7.866   3.121   0.462  1.00  0.00           H  
HETATM   62  H   UNL     1       7.291   0.799  -2.932  1.00  0.00           H  
HETATM   63  H   UNL     1       7.702   4.671  -0.782  1.00  0.00           H  
HETATM   64  H   UNL     1       8.121   5.226  -2.312  1.00  0.00           H  
HETATM   65  H   UNL     1       7.154   1.253   1.956  1.00  0.00           H  
HETATM   66  H   UNL     1       6.883  -0.859   0.912  1.00  0.00           H  
HETATM   67  H   UNL     1       6.043  -1.164  -2.730  1.00  0.00           H  
HETATM   68  H   UNL     1       7.616  -2.427  -0.415  1.00  0.00           H  
HETATM   69  H   UNL     1       8.791  -3.304  -2.301  1.00  0.00           H  
HETATM   70  H   UNL     1       6.436  -4.435  -0.725  1.00  0.00           H  
HETATM   71  H   UNL     1       7.130  -4.645  -3.024  1.00  0.00           H  
HETATM   72  H   UNL     1       4.180  -3.224  -2.126  1.00  0.00           H  
HETATM   73  H   UNL     1       4.120  -4.831  -0.183  1.00  0.00           H  
HETATM   74  H   UNL     1       4.740  -3.531   0.862  1.00  0.00           H  
HETATM   75  H   UNL     1       2.569  -2.326   2.829  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.783  -4.610   0.091  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.949  -2.840   1.577  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.334  -2.026   3.036  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.345   0.154   1.731  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.805  -1.470   2.404  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.738   0.023   3.965  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.068  -0.493   0.733  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.622   1.039   3.496  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.325   3.682   1.918  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.791   1.275  -0.185  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.620  -2.102  -1.722  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.701   3.951  -2.920  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.193  -0.610  -5.531  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.833   0.849  -6.065  1.00  0.00           H  
CONECT    1    2    6    6   57                                       
CONECT    2    1    3    3   58                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5   59                                       
CONECT    5    4    4    6   60                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   15   61                                       
CONECT   10    9   12   11   11                                       
CONECT   11   10   10   17   62                                       
CONECT   12   10   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   63   64                                            
CONECT   15    9   16   16   65                                       
CONECT   16   15   15   17   66                                       
CONECT   17   11   16   18                                            
CONECT   18   17   20   19   67                                       
CONECT   19   18   24                                                 
CONECT   20   18   21   22   68                                       
CONECT   21   20   69                                                 
CONECT   22   20   24   23   70                                       
CONECT   23   22   71                                                 
CONECT   24   19   22   25   72                                       
CONECT   25   24   26   73   74                                       
CONECT   26   25   27                                                 
CONECT   27   26   29   29   28                                       
CONECT   27   30                                                      
CONECT   28   27   75                                                 
CONECT   29   27   27                                                 
CONECT   30   27   31                                                 
CONECT   31   30   33   33   32                                       
CONECT   31   34                                                      
CONECT   32   31   76                                                 
CONECT   33   31   31                                                 
CONECT   34   31   35                                                 
CONECT   35   34   36   77   78                                       
CONECT   36   35   38   37   79                                       
CONECT   37   36   46                                                 
CONECT   38   36   39   40   80                                       
CONECT   39   38   81                                                 
CONECT   40   38   41   46   82                                       
CONECT   41   40   42                                                 
CONECT   42   41   45   45   44                                       
CONECT   42   43                                                      
CONECT   43   42   83                                                 
CONECT   44   42   84                                                 
CONECT   45   42   42                                                 
CONECT   46   37   40   47   85                                       
CONECT   47   46   48   51                                            
CONECT   48   47   49   49   86                                       
CONECT   49   48   48   50                                            
CONECT   50   49   51   51   55                                       
CONECT   51   47   50   50   52                                       
CONECT   52   51   53   53                                            
CONECT   53   52   52   54   87                                       
CONECT   54   53   55   55                                            
CONECT   55   50   54   54   56                                       
CONECT   56   55   88   89                                            
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    9                                                      
CONECT   62   11                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   18                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   28                                                      
CONECT   76   32                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   43                                                      
CONECT   84   44                                                      
CONECT   85   46                                                      
CONECT   86   48                                                      
CONECT   87   53                                                      
CONECT   88   56                                                      
CONECT   89   56                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
