COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -1.682  -0.610  -3.229  1.00  0.00           P  
HETATM    2  O   UNL     1      -0.797  -1.789  -3.360  1.00  0.00           O  
HETATM    3  O   UNL     1      -3.195  -1.100  -2.979  1.00  0.00           O  
HETATM    4  O   UNL     1      -1.617   0.261  -4.581  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.057  -0.587  -5.642  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.019   0.184  -6.962  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.671   0.590  -7.253  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.485  -0.725  -8.115  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.642  -0.181  -8.755  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.281  -0.741  -9.093  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.725  -0.664 -10.449  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.517   0.545  -8.688  1.00  0.00           C  
HETATM   13  N   UNL     1       0.897   0.445  -9.051  1.00  0.00           N  
HETATM   14  C   UNL     1       1.884  -0.127  -8.304  1.00  0.00           C  
HETATM   15  N   UNL     1       3.022  -0.041  -8.930  1.00  0.00           N  
HETATM   16  C   UNL     1       2.839   0.589 -10.115  1.00  0.00           C  
HETATM   17  C   UNL     1       3.679   0.955 -11.180  1.00  0.00           C  
HETATM   18  N   UNL     1       5.032   0.667 -11.145  1.00  0.00           N  
HETATM   19  N   UNL     1       3.144   1.584 -12.221  1.00  0.00           N  
HETATM   20  C   UNL     1       1.854   1.863 -12.263  1.00  0.00           C  
HETATM   21  N   UNL     1       1.029   1.540 -11.289  1.00  0.00           N  
HETATM   22  C   UNL     1       1.472   0.904 -10.209  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.021   0.399   8.317  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.891   1.078   9.061  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.056   1.094   8.706  1.00  0.00           O  
HETATM   26  N   UNL     1      -2.564   1.746  10.177  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.290   1.773  10.632  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.991   2.379  11.643  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.276   1.035   9.847  1.00  0.00           C  
HETATM   30  N   UNL     1       0.983   0.994  10.197  1.00  0.00           N  
HETATM   31  C   UNL     1       1.875   0.315   9.463  1.00  0.00           C  
HETATM   32  C   UNL     1       3.227   0.283   9.857  1.00  0.00           C  
HETATM   33  C   UNL     1       4.136  -0.406   9.112  1.00  0.00           C  
HETATM   34  C   UNL     1       5.580  -0.436   9.540  1.00  0.00           C  
HETATM   35  C   UNL     1       3.746  -1.078   7.959  1.00  0.00           C  
HETATM   36  C   UNL     1       4.772  -1.832   7.152  1.00  0.00           C  
HETATM   37  C   UNL     1       2.431  -1.069   7.551  1.00  0.00           C  
HETATM   38  C   UNL     1       1.480  -0.373   8.294  1.00  0.00           C  
HETATM   39  N   UNL     1       0.163  -0.356   7.887  1.00  0.00           N  
HETATM   40  C   UNL     1      -0.739   0.334   8.638  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.256  -1.066   6.676  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.147  -0.129   5.471  1.00  0.00           C  
HETATM   43  O   UNL     1       1.206   0.303   5.325  1.00  0.00           O  
HETATM   44  C   UNL     1      -0.585  -0.870   4.207  1.00  0.00           C  
HETATM   45  O   UNL     1       0.257  -2.006   4.005  1.00  0.00           O  
HETATM   46  C   UNL     1      -0.476   0.066   3.002  1.00  0.00           C  
HETATM   47  O   UNL     1      -1.319   1.202   3.205  1.00  0.00           O  
HETATM   48  C   UNL     1      -0.914  -0.675   1.738  1.00  0.00           C  
HETATM   49  O   UNL     1      -0.812   0.200   0.613  1.00  0.00           O  
HETATM   50  P   UNL     1      -1.286  -0.641  -0.675  1.00  0.00           P  
HETATM   51  O   UNL     1      -2.683  -1.090  -0.484  1.00  0.00           O  
HETATM   52  O   UNL     1      -0.330  -1.923  -0.860  1.00  0.00           O  
HETATM   53  O   UNL     1      -1.196   0.289  -1.986  1.00  0.00           O  
HETATM   54  H   UNL     1      -3.737  -0.303  -2.899  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.400  -1.455  -5.710  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.077  -0.918  -5.444  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.665   1.060  -6.898  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.691  -1.731  -7.748  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.847  -0.761  -9.501  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.663  -1.625  -8.937  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.190  -1.491 -10.638  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.970   1.422  -9.150  1.00  0.00           H  
HETATM   63  H   UNL     1       1.742  -0.584  -7.336  1.00  0.00           H  
HETATM   64  H   UNL     1       5.602   0.924 -11.887  1.00  0.00           H  
HETATM   65  H   UNL     1       5.411   0.207 -10.380  1.00  0.00           H  
HETATM   66  H   UNL     1       1.461   2.376 -13.128  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.254   2.219  10.667  1.00  0.00           H  
HETATM   68  H   UNL     1       3.543   0.804  10.748  1.00  0.00           H  
HETATM   69  H   UNL     1       5.746  -1.286  10.201  1.00  0.00           H  
HETATM   70  H   UNL     1       6.218  -0.529   8.661  1.00  0.00           H  
HETATM   71  H   UNL     1       5.822   0.486  10.067  1.00  0.00           H  
HETATM   72  H   UNL     1       5.199  -1.171   6.398  1.00  0.00           H  
HETATM   73  H   UNL     1       5.562  -2.189   7.812  1.00  0.00           H  
HETATM   74  H   UNL     1       4.296  -2.682   6.663  1.00  0.00           H  
HETATM   75  H   UNL     1       2.138  -1.596   6.656  1.00  0.00           H  
HETATM   76  H   UNL     1       0.387  -1.932   6.521  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.289  -1.396   6.787  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.790   0.737   5.626  1.00  0.00           H  
HETATM   79  H   UNL     1       1.741  -0.491   5.191  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.618  -1.200   4.318  1.00  0.00           H  
HETATM   81  H   UNL     1       1.160  -1.671   3.911  1.00  0.00           H  
HETATM   82  H   UNL     1       0.556   0.396   2.891  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.222   0.867   3.299  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.271  -1.541   1.584  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.947  -1.004   1.849  1.00  0.00           H  
HETATM   86  H   UNL     1       0.568  -1.586  -0.981  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1   53                                                      
CONECT    2    1    1                                                 
CONECT    3    1   54                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6   55   56                                       
CONECT    6    5    7    8   57                                       
CONECT    7    6   12                                                 
CONECT    8    6    9   10   58                                       
CONECT    9    8   59                                                 
CONECT   10    8   11   12   60                                       
CONECT   11   10   61                                                 
CONECT   12    7   10   13   62                                       
CONECT   13   12   14   22                                            
CONECT   14   13   15   15   63                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   22   22                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   64   65                                            
CONECT   19   17   17   20                                            
CONECT   20   19   21   21   66                                       
CONECT   21   20   20   22                                            
CONECT   22   13   16   16   21                                       
CONECT   23   24   40   40                                            
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   67                                            
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   30   40                                       
CONECT   30   29   29   31                                            
CONECT   31   30   32   32   38                                       
CONECT   32   31   31   33   68                                       
CONECT   33   32   34   35   35                                       
CONECT   34   33   69   70   71                                       
CONECT   35   33   33   36   37                                       
CONECT   36   35   72   73   74                                       
CONECT   37   35   38   38   75                                       
CONECT   38   31   37   37   39                                       
CONECT   39   38   40   41                                            
CONECT   40   23   23   29   39                                       
CONECT   41   39   42   76   77                                       
CONECT   42   41   43   44   78                                       
CONECT   43   42   79                                                 
CONECT   44   42   45   46   80                                       
CONECT   45   44   81                                                 
CONECT   46   44   47   48   82                                       
CONECT   47   46   83                                                 
CONECT   48   46   49   84   85                                       
CONECT   49   48   50                                                 
CONECT   50   49   51   51   52                                       
CONECT   50   53                                                      
CONECT   51   50   50                                                 
CONECT   52   50   86                                                 
CONECT   53    1   50                                                 
CONECT   54    3                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   14                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   20                                                      
CONECT   67   26                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
CONECT   81   45                                                      
CONECT   82   46                                                      
CONECT   83   47                                                      
CONECT   84   48                                                      
CONECT   85   48                                                      
CONECT   86   52                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
