COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      52.854   3.944  38.699  1.00  0.00           O  
HETATM    2  C   UNL     1      51.812   3.277  38.747  1.00  0.00           C  
HETATM    3  N   UNL     1      51.902   1.958  38.288  1.00  0.00           N  
HETATM    4  C   UNL     1      50.803   1.170  38.307  1.00  0.00           C  
HETATM    5  N   UNL     1      50.958  -0.077  37.923  1.00  0.00           N  
HETATM    6  N   UNL     1      49.629   1.665  38.710  1.00  0.00           N  
HETATM    7  C   UNL     1      49.526   2.958  39.106  1.00  0.00           C  
HETATM    8  C   UNL     1      50.604   3.773  39.113  1.00  0.00           C  
HETATM    9  N   UNL     1      50.203   4.980  39.563  1.00  0.00           N  
HETATM   10  C   UNL     1      48.887   4.874  39.815  1.00  0.00           C  
HETATM   11  N   UNL     1      48.470   3.638  39.499  1.00  0.00           N  
HETATM   12  C   UNL     1      47.115   3.071  39.616  1.00  0.00           C  
HETATM   13  O   UNL     1      46.183   4.065  40.123  1.00  0.00           O  
HETATM   14  C   UNL     1      47.040   1.880  40.630  1.00  0.00           C  
HETATM   15  O   UNL     1      46.599   0.659  39.991  1.00  0.00           O  
HETATM   16  C   UNL     1      46.017   2.309  41.608  1.00  0.00           C  
HETATM   17  O   UNL     1      45.255   1.176  42.080  1.00  0.00           O  
HETATM   18  C   UNL     1      45.171   3.215  40.716  1.00  0.00           C  
HETATM   19  C   UNL     1      44.176   3.980  41.547  1.00  0.00           C  
HETATM   20  O   UNL     1      44.829   5.238  41.729  1.00  0.00           O  
HETATM   21  P   UNL     1      45.152   5.917  43.128  1.00  0.00           P  
HETATM   22  O   UNL     1      45.733   7.203  42.698  1.00  0.00           O  
HETATM   23  O   UNL     1      43.858   6.014  43.853  1.00  0.00           O  
HETATM   24  N   UNL     1      46.166   4.988  43.866  1.00  0.00           N  
HETATM   25  C   UNL     1      47.486   4.922  43.957  1.00  0.00           C  
HETATM   26  N   UNL     1      48.388   5.619  43.254  1.00  0.00           N  
HETATM   27  C   UNL     1      45.625   4.126  44.737  1.00  0.00           C  
HETATM   28  C   UNL     1      46.607   3.493  45.341  1.00  0.00           C  
HETATM   29  N   UNL     1      47.741   3.978  44.858  1.00  0.00           N  
HETATM   30  P   UNL     1      49.055   3.520  45.340  1.00  0.00           P  
HETATM   31  O   UNL     1      48.813   2.976  46.852  1.00  0.00           O  
HETATM   32  O   UNL     1      50.171   4.496  45.289  1.00  0.00           O  
HETATM   33  O   UNL     1      49.365   2.139  44.601  1.00  0.00           O  
HETATM   34  C   UNL     1      48.580   1.706  43.515  1.00  0.00           C  
HETATM   35  C   UNL     1      49.108   0.326  43.056  1.00  0.00           C  
HETATM   36  O   UNL     1      49.578   0.121  41.636  1.00  0.00           O  
HETATM   37  C   UNL     1      50.288   0.008  43.934  1.00  0.00           C  
HETATM   38  O   UNL     1      49.885  -0.879  44.943  1.00  0.00           O  
HETATM   39  C   UNL     1      51.196  -0.713  43.106  1.00  0.00           C  
HETATM   40  O   UNL     1      50.661  -1.997  43.149  1.00  0.00           O  
HETATM   41  C   UNL     1      51.005  -0.012  41.768  1.00  0.00           C  
HETATM   42  N   UNL     1      51.800   1.253  41.748  1.00  0.00           N  
HETATM   43  C   UNL     1      51.593   2.564  41.959  1.00  0.00           C  
HETATM   44  N   UNL     1      52.726   3.219  41.782  1.00  0.00           N  
HETATM   45  C   UNL     1      53.660   2.331  41.527  1.00  0.00           C  
HETATM   46  C   UNL     1      53.101   1.115  41.489  1.00  0.00           C  
HETATM   47  N   UNL     1      53.822   0.005  41.246  1.00  0.00           N  
HETATM   48  C   UNL     1      55.146   0.152  40.978  1.00  0.00           C  
HETATM   49  N   UNL     1      55.727   1.395  41.009  1.00  0.00           N  
HETATM   50  C   UNL     1      54.960   2.475  41.286  1.00  0.00           C  
HETATM   51  N   UNL     1      55.421   3.756  41.318  1.00  0.00           N  
HETATM   52  H   UNL     1      52.772   1.601  37.949  1.00  0.00           H  
HETATM   53  H   UNL     1      50.177  -0.701  37.924  1.00  0.00           H  
HETATM   54  H   UNL     1      51.857  -0.402  37.630  1.00  0.00           H  
HETATM   55  H   UNL     1      48.262   5.661  40.210  1.00  0.00           H  
HETATM   56  H   UNL     1      46.779   2.711  38.632  1.00  0.00           H  
HETATM   57  H   UNL     1      48.017   1.747  41.118  1.00  0.00           H  
HETATM   58  H   UNL     1      46.565  -0.040  40.633  1.00  0.00           H  
HETATM   59  H   UNL     1      46.463   2.881  42.435  1.00  0.00           H  
HETATM   60  H   UNL     1      44.604   1.470  42.706  1.00  0.00           H  
HETATM   61  H   UNL     1      44.654   2.617  39.951  1.00  0.00           H  
HETATM   62  H   UNL     1      43.222   4.101  41.014  1.00  0.00           H  
HETATM   63  H   UNL     1      43.997   3.482  42.511  1.00  0.00           H  
HETATM   64  H   UNL     1      43.603   6.926  43.926  1.00  0.00           H  
HETATM   65  H   UNL     1      49.365   5.448  43.385  1.00  0.00           H  
HETATM   66  H   UNL     1      48.085   6.310  42.598  1.00  0.00           H  
HETATM   67  H   UNL     1      44.570   3.977  44.912  1.00  0.00           H  
HETATM   68  H   UNL     1      46.507   2.722  46.091  1.00  0.00           H  
HETATM   69  H   UNL     1      49.437   3.385  47.440  1.00  0.00           H  
HETATM   70  H   UNL     1      48.657   2.428  42.689  1.00  0.00           H  
HETATM   71  H   UNL     1      47.529   1.617  43.827  1.00  0.00           H  
HETATM   72  H   UNL     1      48.321  -0.414  43.263  1.00  0.00           H  
HETATM   73  H   UNL     1      50.736   0.928  44.337  1.00  0.00           H  
HETATM   74  H   UNL     1      50.627  -1.083  45.501  1.00  0.00           H  
HETATM   75  H   UNL     1      52.239  -0.654  43.451  1.00  0.00           H  
HETATM   76  H   UNL     1      50.814  -2.376  44.007  1.00  0.00           H  
HETATM   77  H   UNL     1      51.383  -0.675  40.976  1.00  0.00           H  
HETATM   78  H   UNL     1      50.648   3.012  42.231  1.00  0.00           H  
HETATM   79  H   UNL     1      55.745  -0.715  40.739  1.00  0.00           H  
HETATM   80  H   UNL     1      56.399   3.764  41.107  1.00  0.00           H  
HETATM   81  H   UNL     1      54.930   4.304  40.641  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    8                                       
CONECT    3    4    2   52                                            
CONECT    4    5    3    6    6                                       
CONECT    5    4   53   54                                            
CONECT    6    4    4    7                                            
CONECT    7    6    8    8   11                                       
CONECT    8    2    7    7    9                                       
CONECT    9    8   10   10                                            
CONECT   10   11    9    9   55                                       
CONECT   11    7   12   10                                            
CONECT   12   11   13   14   56                                       
CONECT   13   12   18                                                 
CONECT   14   12   15   16   57                                       
CONECT   15   14   58                                                 
CONECT   16   14   18   17   59                                       
CONECT   17   16   60                                                 
CONECT   18   13   19   16   61                                       
CONECT   19   18   20   62   63                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   22   23                                       
CONECT   21   24                                                      
CONECT   22   21   21                                                 
CONECT   23   21   64                                                 
CONECT   24   21   25   27                                            
CONECT   25   26   24   29   29                                       
CONECT   26   25   65   66                                            
CONECT   27   24   28   28   67                                       
CONECT   28   27   27   29   68                                       
CONECT   29   25   25   30   28                                       
CONECT   30   33   29   32   32                                       
CONECT   30   31                                                      
CONECT   31   30   69                                                 
CONECT   32   30   30                                                 
CONECT   33   34   30                                                 
CONECT   34   35   33   70   71                                       
CONECT   35   36   34   37   72                                       
CONECT   36   41   35                                                 
CONECT   37   35   39   38   73                                       
CONECT   38   37   74                                                 
CONECT   39   41   40   37   75                                       
CONECT   40   39   76                                                 
CONECT   41   36   42   39   77                                       
CONECT   42   46   41   43                                            
CONECT   43   42   44   44   78                                       
CONECT   44   45   43   43                                            
CONECT   45   50   50   46   44                                       
CONECT   46   47   47   45   42                                       
CONECT   47   48   46   46                                            
CONECT   48   49   49   47   79                                       
CONECT   49   48   48   50                                            
CONECT   50   49   51   45   45                                       
CONECT   51   50   80   81                                            
CONECT   52    3                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   23                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   31                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   43                                                      
CONECT   79   48                                                      
CONECT   80   51                                                      
CONECT   81   51                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
