COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.228  -5.185   0.113  1.00  0.00           O  
HETATM    2  P   UNL     1       3.916  -3.690   0.626  1.00  0.00           P  
HETATM    3  O   UNL     1       4.215  -3.593   2.072  1.00  0.00           O  
HETATM    4  O   UNL     1       4.833  -2.643  -0.184  1.00  0.00           O  
HETATM    5  C   UNL     1       6.258  -2.616  -0.083  1.00  0.00           C  
HETATM    6  C   UNL     1       6.812  -1.506  -0.977  1.00  0.00           C  
HETATM    7  C   UNL     1       8.357  -1.538  -0.981  1.00  0.00           C  
HETATM    8  O   UNL     1       8.840  -2.220  -2.140  1.00  0.00           O  
HETATM    9  C   UNL     1       8.763  -0.048  -1.017  1.00  0.00           C  
HETATM   10  O   UNL     1       9.514   0.238  -2.200  1.00  0.00           O  
HETATM   11  C   UNL     1       7.417   0.708  -1.031  1.00  0.00           C  
HETATM   12  N   UNL     1       7.510   1.931  -0.230  1.00  0.00           N  
HETATM   13  C   UNL     1       7.915   3.164  -0.675  1.00  0.00           C  
HETATM   14  N   UNL     1       8.326   3.653  -1.840  1.00  0.00           N  
HETATM   15  C   UNL     1       8.656   4.922  -1.956  1.00  0.00           C  
HETATM   16  N   UNL     1       8.601   5.765  -0.942  1.00  0.00           N  
HETATM   17  C   UNL     1       8.202   5.367   0.262  1.00  0.00           C  
HETATM   18  N   UNL     1       8.146   6.258   1.320  1.00  0.00           N  
HETATM   19  C   UNL     1       7.838   4.021   0.436  1.00  0.00           C  
HETATM   20  N   UNL     1       7.398   3.281   1.482  1.00  0.00           N  
HETATM   21  C   UNL     1       7.205   2.054   1.093  1.00  0.00           C  
HETATM   22  O   UNL     1       6.472  -0.209  -0.439  1.00  0.00           O  
HETATM   23  O   UNL     1       2.363  -3.349   0.374  1.00  0.00           O  
HETATM   24  P   UNL     1       1.000  -3.704   1.155  1.00  0.00           P  
HETATM   25  O   UNL     1       1.193  -3.490   2.606  1.00  0.00           O  
HETATM   26  O   UNL     1       0.612  -5.243   0.886  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.185  -2.751   0.624  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.495  -2.749   1.194  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.370  -1.732   0.458  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.547  -2.149  -0.897  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.733  -1.639   1.146  1.00  0.00           C  
HETATM   32  O   UNL     1      -3.556  -1.221   2.501  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.608  -0.622   0.409  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.785  -1.039  -0.946  1.00  0.00           O  
HETATM   35  C   UNL     1      -5.971  -0.529   1.097  1.00  0.00           C  
HETATM   36  N   UNL     1      -6.808   0.445   0.392  1.00  0.00           N  
HETATM   37  C   UNL     1      -7.603   0.041  -0.628  1.00  0.00           C  
HETATM   38  N   UNL     1      -7.827  -1.230  -0.828  1.00  0.00           N  
HETATM   39  C   UNL     1      -8.713  -1.666  -1.731  1.00  0.00           C  
HETATM   40  O   UNL     1      -8.789  -2.860  -1.954  1.00  0.00           O  
HETATM   41  C   UNL     1      -6.791   1.791   0.776  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.852   2.247   1.690  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.852   3.574   2.075  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.830   4.066   3.067  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.784   4.454   1.555  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.779   5.897   1.988  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.721   4.011   0.638  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.721   2.686   0.243  1.00  0.00           C  
HETATM   49  N   UNL     1      -8.637   2.221  -0.717  1.00  0.00           N  
HETATM   50  C   UNL     1      -8.208   1.082  -1.534  1.00  0.00           C  
HETATM   51  O   UNL     1      -7.210   1.526  -2.455  1.00  0.00           O  
HETATM   52  C   UNL     1      -9.345   0.508  -2.321  1.00  0.00           C  
HETATM   53  N   UNL     1      -9.521  -0.824  -2.397  1.00  0.00           N  
HETATM   54  O   UNL     1     -10.114   1.250  -2.894  1.00  0.00           O  
HETATM   55  H   UNL     1       4.054  -5.321  -0.829  1.00  0.00           H  
HETATM   56  H   UNL     1       6.546  -2.427   0.952  1.00  0.00           H  
HETATM   57  H   UNL     1       6.664  -3.576  -0.402  1.00  0.00           H  
HETATM   58  H   UNL     1       6.428  -1.610  -1.992  1.00  0.00           H  
HETATM   59  H   UNL     1       8.731  -2.014  -0.075  1.00  0.00           H  
HETATM   60  H   UNL     1       9.805  -2.270  -2.193  1.00  0.00           H  
HETATM   61  H   UNL     1       9.339   0.213  -0.129  1.00  0.00           H  
HETATM   62  H   UNL     1      10.342  -0.257  -2.269  1.00  0.00           H  
HETATM   63  H   UNL     1       7.125   0.946  -2.054  1.00  0.00           H  
HETATM   64  H   UNL     1       8.986   5.287  -2.918  1.00  0.00           H  
HETATM   65  H   UNL     1       8.400   7.185   1.187  1.00  0.00           H  
HETATM   66  H   UNL     1       7.854   5.956   2.194  1.00  0.00           H  
HETATM   67  H   UNL     1       6.851   1.252   1.724  1.00  0.00           H  
HETATM   68  H   UNL     1       0.471  -5.456  -0.047  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.935  -3.742   1.099  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.433  -2.478   2.248  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.886  -0.756   0.477  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.974  -3.013  -0.990  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.217  -2.615   1.127  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.129  -0.358   2.594  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.124   0.354   0.428  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.211  -1.903  -1.039  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.455  -1.505   1.078  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.836  -0.210   2.131  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.122   1.564   2.101  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.942   4.409   2.534  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.249   4.892   3.642  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.558   3.254   3.741  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.134   6.474   1.325  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.793   6.294   1.943  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.406   5.969   3.010  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.449   4.698   0.233  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.509   2.631  -0.831  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.519   2.199  -3.076  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.240  -1.182  -2.941  1.00  0.00           H  
CONECT    1   55    2                                                 
CONECT    2    3    3   23    1                                       
CONECT    2    4                                                      
CONECT    3    2    2                                                 
CONECT    4    2    5                                                 
CONECT    5    4   56   57    6                                       
CONECT    6    7    5   58   22                                       
CONECT    7    6   59    8    9                                       
CONECT    8    7   60                                                 
CONECT    9    7   61   10   11                                       
CONECT   10    9   62                                                 
CONECT   11   22    9   63   12                                       
CONECT   12   21   11   13                                            
CONECT   13   12   14   14   19                                       
CONECT   14   13   13   15                                            
CONECT   15   14   64   16   16                                       
CONECT   16   15   15   17                                            
CONECT   17   16   19   19   18                                       
CONECT   18   17   65   66                                            
CONECT   19   17   17   13   20                                       
CONECT   20   19   21   21                                            
CONECT   21   12   20   20   67                                       
CONECT   22   11    6                                                 
CONECT   23    2   24                                                 
CONECT   24   23   26   27   25                                       
CONECT   24   25                                                      
CONECT   25   24   24                                                 
CONECT   26   24   68                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   69   70                                       
CONECT   29   28   31   71   30                                       
CONECT   30   29   72                                                 
CONECT   31   29   32   33   73                                       
CONECT   32   31   74                                                 
CONECT   33   31   35   75   34                                       
CONECT   34   33   76                                                 
CONECT   35   33   36   77   78                                       
CONECT   36   35   37   41                                            
CONECT   37   36   38   38   50                                       
CONECT   38   37   37   39                                            
CONECT   39   38   40   40   53                                       
CONECT   40   39   39                                                 
CONECT   41   36   48   48   42                                       
CONECT   42   41   79   43   43                                       
CONECT   43   42   42   45   44                                       
CONECT   44   43   80   81   82                                       
CONECT   45   43   47   47   46                                       
CONECT   46   45   83   84   85                                       
CONECT   47   45   45   48   86                                       
CONECT   48   41   41   47   49                                       
CONECT   49   48   50   87                                            
CONECT   50   37   49   52   51                                       
CONECT   51   50   88                                                 
CONECT   52   50   53   54   54                                       
CONECT   53   39   52   89                                            
CONECT   54   52   52                                                 
CONECT   55    1                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   15                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   21                                                      
CONECT   68   26                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   42                                                      
CONECT   80   44                                                      
CONECT   81   44                                                      
CONECT   82   44                                                      
CONECT   83   46                                                      
CONECT   84   46                                                      
CONECT   85   46                                                      
CONECT   86   47                                                      
CONECT   87   49                                                      
CONECT   88   51                                                      
CONECT   89   53                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
