COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.058  -2.684  -0.228  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.889  -2.877   0.465  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.868  -2.084   0.228  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.711  -2.231   0.883  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.580  -3.244   1.840  1.00  0.00           C  
HETATM    6  N   UNL     1       0.677  -3.164   2.341  1.00  0.00           N  
HETATM    7  C   UNL     1       1.310  -2.186   1.762  1.00  0.00           C  
HETATM    8  N   UNL     1       0.492  -1.579   0.854  1.00  0.00           N  
HETATM    9  C   UNL     1       0.838  -0.439   0.002  1.00  0.00           C  
HETATM   10  O   UNL     1       2.272  -0.295  -0.097  1.00  0.00           O  
HETATM   11  C   UNL     1       2.531   1.064  -0.486  1.00  0.00           C  
HETATM   12  C   UNL     1       3.828   1.552   0.163  1.00  0.00           C  
HETATM   13  O   UNL     1       4.933   0.823  -0.375  1.00  0.00           O  
HETATM   14  P   UNL     1       6.456   1.076   0.081  1.00  0.00           P  
HETATM   15  O   UNL     1       6.626   0.672   1.630  1.00  0.00           O  
HETATM   16  O   UNL     1       6.793   2.507  -0.095  1.00  0.00           O  
HETATM   17  C   UNL     1       7.574   0.059  -0.938  1.00  0.00           C  
HETATM   18  P   UNL     1       9.298   0.345  -0.421  1.00  0.00           P  
HETATM   19  O   UNL     1       9.665   1.901  -0.613  1.00  0.00           O  
HETATM   20  O   UNL     1       9.454  -0.026   1.003  1.00  0.00           O  
HETATM   21  O   UNL     1      10.285  -0.554  -1.322  1.00  0.00           O  
HETATM   22  P   UNL     1      11.881  -0.757  -1.370  1.00  0.00           P  
HETATM   23  O   UNL     1      12.401  -0.909   0.007  1.00  0.00           O  
HETATM   24  O   UNL     1      12.229  -2.077  -2.223  1.00  0.00           O  
HETATM   25  O   UNL     1      12.564   0.526  -2.063  1.00  0.00           O  
HETATM   26  C   UNL     1       1.346   1.916   0.008  1.00  0.00           C  
HETATM   27  O   UNL     1       0.709   2.571  -1.091  1.00  0.00           O  
HETATM   28  C   UNL     1       0.386   0.891   0.658  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.973   1.185   0.329  1.00  0.00           O  
HETATM   30  P   UNL     1      -2.129   1.344   1.439  1.00  0.00           P  
HETATM   31  O   UNL     1      -2.356  -0.066   2.183  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.724   2.366   2.430  1.00  0.00           O  
HETATM   33  O   UNL     1      -3.499   1.800   0.725  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.684   2.126   1.454  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.793   2.517   0.474  1.00  0.00           C  
HETATM   36  O   UNL     1      -6.173   1.376  -0.313  1.00  0.00           O  
HETATM   37  C   UNL     1      -7.590   1.493  -0.568  1.00  0.00           C  
HETATM   38  N   UNL     1      -8.162   0.188  -0.906  1.00  0.00           N  
HETATM   39  C   UNL     1      -7.655  -1.030  -0.560  1.00  0.00           C  
HETATM   40  N   UNL     1      -8.420  -1.977  -1.020  1.00  0.00           N  
HETATM   41  C   UNL     1      -9.463  -1.429  -1.689  1.00  0.00           C  
HETATM   42  C   UNL     1     -10.575  -1.943  -2.377  1.00  0.00           C  
HETATM   43  N   UNL     1     -10.779  -3.309  -2.474  1.00  0.00           N  
HETATM   44  N   UNL     1     -11.428  -1.088  -2.932  1.00  0.00           N  
HETATM   45  C   UNL     1     -11.242   0.217  -2.844  1.00  0.00           C  
HETATM   46  N   UNL     1     -10.215   0.743  -2.210  1.00  0.00           N  
HETATM   47  C   UNL     1      -9.310  -0.034  -1.624  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.157   2.010   0.778  1.00  0.00           C  
HETATM   49  O   UNL     1      -9.386   2.711   0.578  1.00  0.00           O  
HETATM   50  C   UNL     1      -7.042   2.973   1.252  1.00  0.00           C  
HETATM   51  O   UNL     1      -7.373   4.323   0.919  1.00  0.00           O  
HETATM   52  C   UNL     1      -1.686  -4.091   2.085  1.00  0.00           C  
HETATM   53  O   UNL     1      -1.617  -4.986   2.909  1.00  0.00           O  
HETATM   54  N   UNL     1      -2.823  -3.881   1.384  1.00  0.00           N  
HETATM   55  H   UNL     1      -4.821  -3.259  -0.061  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.122  -1.971  -0.882  1.00  0.00           H  
HETATM   57  H   UNL     1       2.329  -1.896   1.970  1.00  0.00           H  
HETATM   58  H   UNL     1       0.393  -0.550  -0.987  1.00  0.00           H  
HETATM   59  H   UNL     1       2.609   1.131  -1.571  1.00  0.00           H  
HETATM   60  H   UNL     1       3.960   2.615  -0.042  1.00  0.00           H  
HETATM   61  H   UNL     1       3.778   1.393   1.240  1.00  0.00           H  
HETATM   62  H   UNL     1       6.422  -0.254   1.820  1.00  0.00           H  
HETATM   63  H   UNL     1       7.325  -0.995  -0.808  1.00  0.00           H  
HETATM   64  H   UNL     1       7.458   0.332  -1.987  1.00  0.00           H  
HETATM   65  H   UNL     1       9.584   2.214  -1.525  1.00  0.00           H  
HETATM   66  H   UNL     1      13.175  -2.261  -2.294  1.00  0.00           H  
HETATM   67  H   UNL     1      12.270   0.687  -2.970  1.00  0.00           H  
HETATM   68  H   UNL     1       1.681   2.646   0.745  1.00  0.00           H  
HETATM   69  H   UNL     1       1.283   3.183  -1.571  1.00  0.00           H  
HETATM   70  H   UNL     1       0.525   0.858   1.738  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.624  -0.784   1.593  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.002   1.262   2.036  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.481   2.962   2.124  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.446   3.318  -0.178  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.778   2.212  -1.365  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.753  -1.185   0.012  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.150  -3.923  -2.065  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.550  -3.651  -2.952  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.959   0.876  -3.310  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.290   1.190   1.485  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.781   3.054   1.392  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.881   2.872   2.325  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.185   4.643   1.336  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.596  -4.446   1.539  1.00  0.00           H  
CONECT    1    2   55   56                                            
CONECT    2    3    3   54    1                                       
CONECT    3    4    2    2                                            
CONECT    4    8    5    5    3                                       
CONECT    5    6    4    4   52                                       
CONECT    6    7    7    5                                            
CONECT    7    8    6    6   57                                       
CONECT    8    7    9    4                                            
CONECT    9   10    8   28   58                                       
CONECT   10   11    9                                                 
CONECT   11   10   12   26   59                                       
CONECT   12   11   13   60   61                                       
CONECT   13   12   14                                                 
CONECT   14   17   13   16   16                                       
CONECT   14   15                                                      
CONECT   15   14   62                                                 
CONECT   16   14   14                                                 
CONECT   17   18   14   63   64                                       
CONECT   18   21   20   20   17                                       
CONECT   18   19                                                      
CONECT   19   18   65                                                 
CONECT   20   18   18                                                 
CONECT   21   22   18                                                 
CONECT   22   23   23   25   21                                       
CONECT   22   24                                                      
CONECT   23   22   22                                                 
CONECT   24   22   66                                                 
CONECT   25   22   67                                                 
CONECT   26   11   27   28   68                                       
CONECT   27   26   69                                                 
CONECT   28    9   26   29   70                                       
CONECT   29   28   30                                                 
CONECT   30   29   32   32   31                                       
CONECT   30   33                                                      
CONECT   31   30   71                                                 
CONECT   32   30   30                                                 
CONECT   33   30   34                                                 
CONECT   34   33   35   72   73                                       
CONECT   35   50   34   36   74                                       
CONECT   36   35   37                                                 
CONECT   37   48   38   36   75                                       
CONECT   38   39   47   37                                            
CONECT   39   40   40   38   76                                       
CONECT   40   39   39   41                                            
CONECT   41   40   42   42   47                                       
CONECT   42   43   41   41   44                                       
CONECT   43   42   77   78                                            
CONECT   44   42   45   45                                            
CONECT   45   44   44   46   79                                       
CONECT   46   47   47   45                                            
CONECT   47   41   38   46   46                                       
CONECT   48   50   49   37   80                                       
CONECT   49   48   81                                                 
CONECT   50   51   48   35   82                                       
CONECT   51   50   83                                                 
CONECT   52    5   53   53   54                                       
CONECT   53   52   52                                                 
CONECT   54   52    2   84                                            
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    7                                                      
CONECT   58    9                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   15                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   19                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   31                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   37                                                      
CONECT   76   39                                                      
CONECT   77   43                                                      
CONECT   78   43                                                      
CONECT   79   45                                                      
CONECT   80   48                                                      
CONECT   81   49                                                      
CONECT   82   50                                                      
CONECT   83   51                                                      
CONECT   84   54                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
