COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      10.417  -1.193  -5.663  1.00  0.00           N  
HETATM    2  C   UNL     1      11.182  -2.292  -6.115  1.00  0.00           C  
HETATM    3  O   UNL     1      11.347  -2.567  -7.306  1.00  0.00           O  
HETATM    4  N   UNL     1      11.760  -3.072  -5.107  1.00  0.00           N  
HETATM    5  C   UNL     1      11.656  -2.875  -3.738  1.00  0.00           C  
HETATM    6  O   UNL     1      12.192  -3.601  -2.905  1.00  0.00           O  
HETATM    7  C   UNL     1      10.836  -1.701  -3.337  1.00  0.00           C  
HETATM    8  C   UNL     1      10.283  -0.953  -4.299  1.00  0.00           C  
HETATM    9  C   UNL     1      10.676  -1.421  -1.877  1.00  0.00           C  
HETATM   10  C   UNL     1       7.775   1.729  -4.858  1.00  0.00           C  
HETATM   11  O   UNL     1       8.547   2.622  -4.072  1.00  0.00           O  
HETATM   12  C   UNL     1       8.429   1.580  -6.226  1.00  0.00           C  
HETATM   13  O   UNL     1       9.739   1.016  -6.033  1.00  0.00           O  
HETATM   14  C   UNL     1       7.668   0.625  -7.138  1.00  0.00           C  
HETATM   15  C   UNL     1       8.329  -0.705  -6.862  1.00  0.00           C  
HETATM   16  C   UNL     1       9.767  -0.307  -6.584  1.00  0.00           C  
HETATM   17  N   UNL     1       7.908   1.004  -8.536  1.00  0.00           N  
HETATM   18  N   UNL     1       7.060   1.758  -9.042  1.00  0.00           N1+
HETATM   19  N   UNL     1       6.287   2.450  -9.516  1.00  0.00           N1-
HETATM   20  P   UNL     1       8.061   2.958  -2.547  1.00  0.00           P  
HETATM   21  O   UNL     1       7.698   1.671  -1.838  1.00  0.00           O  
HETATM   22  O   UNL     1       9.051   3.926  -1.936  1.00  0.00           O1-
HETATM   23  O   UNL     1       6.689   3.777  -2.886  1.00  0.00           O  
HETATM   24  P   UNL     1       5.601   4.462  -1.880  1.00  0.00           P  
HETATM   25  O   UNL     1       4.424   4.947  -2.697  1.00  0.00           O  
HETATM   26  O   UNL     1       6.333   5.394  -0.940  1.00  0.00           O1-
HETATM   27  O   UNL     1       5.138   3.135  -1.051  1.00  0.00           O  
HETATM   28  P   UNL     1       4.065   2.922   0.161  1.00  0.00           P  
HETATM   29  O   UNL     1       2.677   3.188  -0.379  1.00  0.00           O  
HETATM   30  O   UNL     1       4.571   3.633   1.396  1.00  0.00           O1-
HETATM   31  O   UNL     1       4.240   1.314   0.371  1.00  0.00           O  
HETATM   32  P   UNL     1       3.506   0.298   1.415  1.00  0.00           P  
HETATM   33  O   UNL     1       2.041   0.206   1.054  1.00  0.00           O  
HETATM   34  O   UNL     1       3.947   0.643   2.820  1.00  0.00           O1-
HETATM   35  O   UNL     1       4.246  -1.083   0.957  1.00  0.00           O  
HETATM   36  P   UNL     1       4.074  -2.606   1.520  1.00  0.00           P  
HETATM   37  O   UNL     1       2.682  -3.089   1.176  1.00  0.00           O  
HETATM   38  O   UNL     1       4.590  -2.653   2.942  1.00  0.00           O1-
HETATM   39  O   UNL     1       5.153  -3.341   0.536  1.00  0.00           O  
HETATM   40  C   UNL     1       4.857  -3.405  -0.848  1.00  0.00           C  
HETATM   41  C   UNL     1       5.986  -4.125  -1.563  1.00  0.00           C  
HETATM   42  O   UNL     1       6.091  -5.472  -1.074  1.00  0.00           O  
HETATM   43  C   UNL     1       5.767  -4.261  -3.060  1.00  0.00           C  
HETATM   44  O   UNL     1       6.109  -3.082  -3.757  1.00  0.00           O  
HETATM   45  C   UNL     1       6.647  -5.446  -3.408  1.00  0.00           C  
HETATM   46  O   UNL     1       7.999  -5.042  -3.617  1.00  0.00           O  
HETATM   47  C   UNL     1       6.568  -6.310  -2.148  1.00  0.00           C  
HETATM   48  N   UNL     1       5.689  -7.472  -2.287  1.00  0.00           N  
HETATM   49  C   UNL     1       4.336  -7.492  -2.069  1.00  0.00           C  
HETATM   50  N   UNL     1       3.816  -8.684  -2.274  1.00  0.00           N  
HETATM   51  C   UNL     1       4.878  -9.472  -2.641  1.00  0.00           C  
HETATM   52  C   UNL     1       4.973 -10.817  -2.985  1.00  0.00           C  
HETATM   53  N   UNL     1       3.832 -11.638  -2.996  1.00  0.00           N  
HETATM   54  N   UNL     1       6.184 -11.330  -3.310  1.00  0.00           N  
HETATM   55  C   UNL     1       7.247 -10.490  -3.281  1.00  0.00           C  
HETATM   56  N   UNL     1       7.281  -9.177  -2.966  1.00  0.00           N  
HETATM   57  C   UNL     1       6.052  -8.737  -2.656  1.00  0.00           C  
HETATM   58  H   UNL     1      12.314  -3.867  -5.411  1.00  0.00           H  
HETATM   59  H   UNL     1       9.677  -0.087  -4.049  1.00  0.00           H  
HETATM   60  H   UNL     1      10.527  -2.356  -1.338  1.00  0.00           H  
HETATM   61  H   UNL     1       9.816  -0.772  -1.718  1.00  0.00           H  
HETATM   62  H   UNL     1      11.569  -0.925  -1.497  1.00  0.00           H  
HETATM   63  H   UNL     1       7.727   0.762  -4.348  1.00  0.00           H  
HETATM   64  H   UNL     1       6.763   2.133  -4.958  1.00  0.00           H  
HETATM   65  H   UNL     1       8.547   2.575  -6.669  1.00  0.00           H  
HETATM   66  H   UNL     1       6.589   0.616  -6.959  1.00  0.00           H  
HETATM   67  H   UNL     1       7.877  -1.158  -5.970  1.00  0.00           H  
HETATM   68  H   UNL     1       8.248  -1.429  -7.679  1.00  0.00           H  
HETATM   69  H   UNL     1      10.363  -0.281  -7.502  1.00  0.00           H  
HETATM   70  H   UNL     1       3.913  -3.943  -0.983  1.00  0.00           H  
HETATM   71  H   UNL     1       4.747  -2.387  -1.233  1.00  0.00           H  
HETATM   72  H   UNL     1       6.927  -3.605  -1.345  1.00  0.00           H  
HETATM   73  H   UNL     1       4.719  -4.508  -3.269  1.00  0.00           H  
HETATM   74  H   UNL     1       5.831  -2.342  -3.196  1.00  0.00           H  
HETATM   75  H   UNL     1       6.323  -5.958  -4.320  1.00  0.00           H  
HETATM   76  H   UNL     1       8.510  -5.843  -3.829  1.00  0.00           H  
HETATM   77  H   UNL     1       7.541  -6.720  -1.859  1.00  0.00           H  
HETATM   78  H   UNL     1       3.788  -6.611  -1.763  1.00  0.00           H  
HETATM   79  H   UNL     1       3.207 -11.624  -2.212  1.00  0.00           H  
HETATM   80  H   UNL     1       3.705 -12.295  -3.742  1.00  0.00           H  
HETATM   81  H   UNL     1       8.201 -10.934  -3.546  1.00  0.00           H  
CONECT    1    2    8   16                                            
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   58                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    8    9                                       
CONECT    8    1    7    7   59                                       
CONECT    9    7   60   61   62                                       
CONECT   10   11   12   63   64                                       
CONECT   11   10   20                                                 
CONECT   12   10   13   14   65                                       
CONECT   13   12   16                                                 
CONECT   14   12   15   17   66                                       
CONECT   15   14   16   67   68                                       
CONECT   16    1   13   15   69                                       
CONECT   17   14   18   18                                            
CONECT   18   17   17   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   11   21   21   22                                       
CONECT   20   23                                                      
CONECT   21   20   20                                                 
CONECT   22   20                                                      
CONECT   23   20   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   24   27                                                      
CONECT   25   24   24                                                 
CONECT   26   24                                                      
CONECT   27   24   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28                                                      
CONECT   31   28   32                                                 
CONECT   32   31   33   33   34                                       
CONECT   32   35                                                      
CONECT   33   32   32                                                 
CONECT   34   32                                                      
CONECT   35   32   36                                                 
CONECT   36   35   37   37   38                                       
CONECT   36   39                                                      
CONECT   37   36   36                                                 
CONECT   38   36                                                      
CONECT   39   36   40                                                 
CONECT   40   39   41   70   71                                       
CONECT   41   40   42   43   72                                       
CONECT   42   41   47                                                 
CONECT   43   41   44   45   73                                       
CONECT   44   43   74                                                 
CONECT   45   43   46   47   75                                       
CONECT   46   45   76                                                 
CONECT   47   42   45   48   77                                       
CONECT   48   47   49   57                                            
CONECT   49   48   50   50   78                                       
CONECT   50   49   49   51                                            
CONECT   51   50   52   57   57                                       
CONECT   52   51   53   54   54                                       
CONECT   53   52   79   80                                            
CONECT   54   52   52   55                                            
CONECT   55   54   56   56   81                                       
CONECT   56   55   55   57                                            
CONECT   57   48   51   51   56                                       
CONECT   58    4                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   12                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   40                                                      
CONECT   71   40                                                      
CONECT   72   41                                                      
CONECT   73   43                                                      
CONECT   74   44                                                      
CONECT   75   45                                                      
CONECT   76   46                                                      
CONECT   77   47                                                      
CONECT   78   49                                                      
CONECT   79   53                                                      
CONECT   80   53                                                      
CONECT   81   55                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
