COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -9.480  -2.218   0.096  1.00  0.00           P  
HETATM    2  N   UNL     1      -1.933   2.908   0.090  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.855   4.187  -0.294  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.759   4.948  -0.003  1.00  0.00           O  
HETATM    5  N   UNL     1      -0.807   4.656  -0.991  1.00  0.00           N  
HETATM    6  C   UNL     1       0.295   3.904  -1.173  1.00  0.00           C  
HETATM    7  O   UNL     1       1.210   4.331  -1.844  1.00  0.00           O  
HETATM    8  N   UNL     1       0.942   1.560  -1.493  1.00  0.00           N  
HETATM    9  C   UNL     1       1.782  -0.714  -1.559  1.00  0.00           C  
HETATM   10  C   UNL     1       1.689  -2.033  -1.150  1.00  0.00           C  
HETATM   11  C   UNL     1       0.678  -2.424  -0.291  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.251  -1.505   0.160  1.00  0.00           C  
HETATM   13  P   UNL     1       6.312  -0.450   0.715  1.00  0.00           P  
HETATM   14  P   UNL     1       7.787  -2.853  -0.198  1.00  0.00           P  
HETATM   15  C   UNL     1      -2.296   0.302   0.936  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.948   2.068  -0.078  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.118   0.751   0.190  1.00  0.00           N  
HETATM   18  C   UNL     1       4.451   1.462   0.580  1.00  0.00           C  
HETATM   19  O   UNL     1       5.320   0.539  -0.079  1.00  0.00           O  
HETATM   20  C   UNL     1       3.650   2.243  -0.464  1.00  0.00           C  
HETATM   21  C   UNL     1       1.327   2.630   0.662  1.00  0.00           C  
HETATM   22  C   UNL     1       0.721   3.574   1.703  1.00  0.00           C  
HETATM   23  C   UNL     1       2.992   4.405   0.461  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.499   3.017   2.197  1.00  0.00           O  
HETATM   25  C   UNL     1       2.673   3.155   0.231  1.00  0.00           C  
HETATM   26  O   UNL     1       7.421   0.416   1.496  1.00  0.00           O  
HETATM   27  O   UNL     1       8.603  -2.866   1.036  1.00  0.00           O  
HETATM   28  O   UNL     1      -9.289  -3.612   0.879  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.430  -0.012  -0.042  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.757   1.164  -0.786  1.00  0.00           O  
HETATM   31  O   UNL     1       5.536  -1.251   1.688  1.00  0.00           O  
HETATM   32  O   UNL     1       6.693  -4.032  -0.132  1.00  0.00           O  
HETATM   33  O   UNL     1     -10.417  -2.452  -1.193  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.660  -0.480   0.738  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.333  -1.656   1.481  1.00  0.00           O  
HETATM   36  O   UNL     1       7.039  -1.434  -0.332  1.00  0.00           O  
HETATM   37  O   UNL     1       8.742  -3.079  -1.475  1.00  0.00           O  
HETATM   38  O   UNL     1     -10.116  -1.230   0.995  1.00  0.00           O  
HETATM   39  C   UNL     1      -5.794  -0.794  -0.240  1.00  0.00           C  
HETATM   40  O   UNL     1      -6.121   0.381  -0.984  1.00  0.00           O  
HETATM   41  C   UNL     1       0.400   2.546  -0.552  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.025  -1.263   0.539  1.00  0.00           C  
HETATM   43  O   UNL     1      -8.044  -1.667  -0.377  1.00  0.00           O  
HETATM   44  C   UNL     1       0.860   0.211  -1.105  1.00  0.00           C  
HETATM   45  C   UNL     1       2.691  -3.045  -1.642  1.00  0.00           C  
HETATM   46  C   UNL     1       0.589  -3.861   0.156  1.00  0.00           C  
HETATM   47  C   UNL     1      -0.169  -0.182  -0.246  1.00  0.00           C  
HETATM   48  H   UNL     1      -0.845   5.548  -1.370  1.00  0.00           H  
HETATM   49  H   UNL     1       1.337   1.824  -2.339  1.00  0.00           H  
HETATM   50  H   UNL     1       2.571  -0.409  -2.230  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.039  -1.817   0.829  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.046  -0.595   1.503  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.614   1.089   1.621  1.00  0.00           H  
HETATM   54  H   UNL     1       3.766   0.917   1.230  1.00  0.00           H  
HETATM   55  H   UNL     1       5.043   2.156   1.177  1.00  0.00           H  
HETATM   56  H   UNL     1       4.331   2.837  -1.074  1.00  0.00           H  
HETATM   57  H   UNL     1       3.106   1.546  -1.101  1.00  0.00           H  
HETATM   58  H   UNL     1       1.447   1.638   1.097  1.00  0.00           H  
HETATM   59  H   UNL     1       1.422   3.703   2.528  1.00  0.00           H  
HETATM   60  H   UNL     1       0.519   4.541   1.242  1.00  0.00           H  
HETATM   61  H   UNL     1       2.292   5.059   0.959  1.00  0.00           H  
HETATM   62  H   UNL     1       3.956   4.781   0.152  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.939   3.563   2.862  1.00  0.00           H  
HETATM   64  H   UNL     1       7.968   0.967   0.920  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.876  -4.308   0.349  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.112  -0.798  -0.726  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.048   1.907  -0.239  1.00  0.00           H  
HETATM   68  H   UNL     1       6.122  -4.083  -0.910  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.300  -2.785  -0.982  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.978   0.306   1.422  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.042  -2.399   0.935  1.00  0.00           H  
HETATM   72  H   UNL     1       9.226  -3.916  -1.461  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.477  -1.581  -0.925  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.413   1.124  -0.438  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.753  -2.106   1.175  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.395  -0.446   1.158  1.00  0.00           H  
HETATM   77  H   UNL     1       3.537  -3.082  -0.955  1.00  0.00           H  
HETATM   78  H   UNL     1       2.221  -4.027  -1.692  1.00  0.00           H  
HETATM   79  H   UNL     1       3.041  -2.758  -2.634  1.00  0.00           H  
HETATM   80  H   UNL     1       1.169  -3.994   1.069  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.453  -4.118   0.347  1.00  0.00           H  
HETATM   82  H   UNL     1       0.986  -4.509  -0.625  1.00  0.00           H  
CONECT    1   28   33   38   38                                       
CONECT    1   43                                                      
CONECT    2    3   16   16                                            
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   48                                            
CONECT    6    5    7    7   41                                       
CONECT    7    6    6                                                 
CONECT    8   41   44   49                                            
CONECT    9   10   10   44   50                                       
CONECT   10    9    9   11   45                                       
CONECT   11   10   12   12   46                                       
CONECT   12   11   11   47   51                                       
CONECT   13   19   26   31   31                                       
CONECT   13   36                                                      
CONECT   14   27   27   32   36                                       
CONECT   14   37                                                      
CONECT   15   17   29   52   53                                       
CONECT   16    2    2   17   41                                       
CONECT   17   15   16   47                                            
CONECT   18   19   20   54   55                                       
CONECT   19   13   18                                                 
CONECT   20   18   25   56   57                                       
CONECT   21   22   25   41   58                                       
CONECT   22   21   24   59   60                                       
CONECT   23   25   25   61   62                                       
CONECT   24   22   63                                                 
CONECT   25   20   21   23   23                                       
CONECT   26   13   64                                                 
CONECT   27   14   14                                                 
CONECT   28    1   65                                                 
CONECT   29   15   30   34   66                                       
CONECT   30   29   67                                                 
CONECT   31   13   13                                                 
CONECT   32   14   68                                                 
CONECT   33    1   69                                                 
CONECT   34   29   35   39   70                                       
CONECT   35   34   71                                                 
CONECT   36   13   14                                                 
CONECT   37   14   72                                                 
CONECT   38    1    1                                                 
CONECT   39   34   40   42   73                                       
CONECT   40   39   74                                                 
CONECT   41    6    8   16   21                                       
CONECT   42   39   43   75   76                                       
CONECT   43    1   42                                                 
CONECT   44    8    9   47   47                                       
CONECT   45   10   77   78   79                                       
CONECT   46   11   80   81   82                                       
CONECT   47   12   17   44   44                                       
CONECT   48    5                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   12                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   26                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   37                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   42                                                      
CONECT   76   42                                                      
CONECT   77   45                                                      
CONECT   78   45                                                      
CONECT   79   45                                                      
CONECT   80   46                                                      
CONECT   81   46                                                      
CONECT   82   46                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
