COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.236  -6.970  -0.742  1.00  0.00           O  
HETATM    2  P   UNL     1       2.833  -5.423  -0.553  1.00  0.00           P  
HETATM    3  O   UNL     1       1.958  -4.938  -1.815  1.00  0.00           O  
HETATM    4  O   UNL     1       2.040  -5.267   0.686  1.00  0.00           O  
HETATM    5  O   UNL     1       4.169  -4.529  -0.452  1.00  0.00           O  
HETATM    6  C   UNL     1       4.148  -3.127  -0.177  1.00  0.00           C  
HETATM    7  C   UNL     1       5.560  -2.599  -0.151  1.00  0.00           C  
HETATM    8  C   UNL     1       5.806  -1.244   0.100  1.00  0.00           C  
HETATM    9  C   UNL     1       4.696  -0.303   0.345  1.00  0.00           C  
HETATM   10  C   UNL     1       7.141  -0.807   0.113  1.00  0.00           C  
HETATM   11  O   UNL     1       7.438   0.495   0.352  1.00  0.00           O  
HETATM   12  C   UNL     1       8.150  -1.730  -0.122  1.00  0.00           C  
HETATM   13  C   UNL     1       9.588  -1.280  -0.112  1.00  0.00           C  
HETATM   14  N   UNL     1       7.867  -2.996  -0.353  1.00  0.00           N  
HETATM   15  C   UNL     1       6.627  -3.446  -0.368  1.00  0.00           C  
HETATM   16  O   UNL     1      -9.197  -1.845   3.459  1.00  0.00           O  
HETATM   17  C   UNL     1      -8.372  -1.849   2.562  1.00  0.00           C  
HETATM   18  N   UNL     1      -8.329  -0.837   1.673  1.00  0.00           N  
HETATM   19  C   UNL     1      -7.418  -0.842   0.683  1.00  0.00           C  
HETATM   20  O   UNL     1      -7.390   0.078  -0.112  1.00  0.00           O  
HETATM   21  C   UNL     1      -7.447  -2.915   2.447  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.470  -4.056   3.431  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.543  -2.895   1.444  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.536  -1.851   0.559  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.556  -1.830  -0.529  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.840  -0.583  -0.517  1.00  0.00           O  
HETATM   27  C   UNL     1      -6.278  -1.931  -1.887  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.850  -0.648  -2.641  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.580  -0.931  -4.015  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.552  -0.250  -1.892  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.285   1.250  -2.039  1.00  0.00           C  
HETATM   32  O   UNL     1      -3.079   1.588  -1.351  1.00  0.00           O  
HETATM   33  P   UNL     1      -2.492   3.086  -1.296  1.00  0.00           P  
HETATM   34  O   UNL     1      -3.510   4.032  -0.484  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.329   3.603  -2.673  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.063   3.075  -0.554  1.00  0.00           O  
HETATM   37  P   UNL     1       0.148   4.131  -0.443  1.00  0.00           P  
HETATM   38  O   UNL     1      -0.211   5.245   0.662  1.00  0.00           O  
HETATM   39  O   UNL     1       0.354   4.785  -1.755  1.00  0.00           O  
HETATM   40  O   UNL     1       1.494   3.360  -0.011  1.00  0.00           O  
HETATM   41  O   UNL     1       3.903   1.486   3.204  1.00  0.00           O  
HETATM   42  C   UNL     1       4.000   2.506   2.207  1.00  0.00           C  
HETATM   43  C   UNL     1       2.890   3.538   2.421  1.00  0.00           C  
HETATM   44  O   UNL     1       2.954   4.524   1.389  1.00  0.00           O  
HETATM   45  C   UNL     1       3.074   4.211   3.782  1.00  0.00           C  
HETATM   46  C   UNL     1       3.844   1.879   0.818  1.00  0.00           C  
HETATM   47  N   UNL     1       4.946   0.945   0.575  1.00  0.00           N  
HETATM   48  C   UNL     1       3.872   2.990  -0.237  1.00  0.00           C  
HETATM   49  O   UNL     1       3.655   2.425  -1.531  1.00  0.00           O  
HETATM   50  C   UNL     1       2.767   4.004   0.071  1.00  0.00           C  
HETATM   51  H   UNL     1       2.479  -7.568  -0.811  1.00  0.00           H  
HETATM   52  H   UNL     1       2.416  -5.012  -2.663  1.00  0.00           H  
HETATM   53  H   UNL     1       3.582  -2.613  -0.954  1.00  0.00           H  
HETATM   54  H   UNL     1       3.677  -2.953   0.791  1.00  0.00           H  
HETATM   55  H   UNL     1       3.676  -0.656   0.332  1.00  0.00           H  
HETATM   56  H   UNL     1       7.572   0.704   1.286  1.00  0.00           H  
HETATM   57  H   UNL     1       9.990  -1.367   0.897  1.00  0.00           H  
HETATM   58  H   UNL     1      10.169  -1.905  -0.790  1.00  0.00           H  
HETATM   59  H   UNL     1       9.645  -0.241  -0.437  1.00  0.00           H  
HETATM   60  H   UNL     1       6.444  -4.492  -0.562  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.957  -0.101   1.747  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.265  -3.891   4.160  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.653  -4.990   2.900  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.511  -4.111   3.946  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.830  -3.699   1.341  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.859  -2.661  -0.417  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.950  -2.819  -2.428  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.358  -1.949  -1.744  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.608   0.129  -2.547  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.342  -1.270  -4.504  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.705  -0.829  -2.259  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.184   1.500  -3.095  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.116   1.810  -1.611  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.665   3.752   0.429  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.359   4.887   1.548  1.00  0.00           H  
HETATM   76  H   UNL     1       3.988   1.813   4.110  1.00  0.00           H  
HETATM   77  H   UNL     1       4.971   2.995   2.280  1.00  0.00           H  
HETATM   78  H   UNL     1       1.920   3.041   2.389  1.00  0.00           H  
HETATM   79  H   UNL     1       4.043   4.708   3.814  1.00  0.00           H  
HETATM   80  H   UNL     1       2.283   4.946   3.934  1.00  0.00           H  
HETATM   81  H   UNL     1       3.026   3.458   4.569  1.00  0.00           H  
HETATM   82  H   UNL     1       2.894   1.348   0.762  1.00  0.00           H  
HETATM   83  H   UNL     1       4.841   3.489  -0.214  1.00  0.00           H  
HETATM   84  H   UNL     1       3.660   3.073  -2.249  1.00  0.00           H  
HETATM   85  H   UNL     1       2.810   4.819  -0.651  1.00  0.00           H  
CONECT    1    2   51                                                 
CONECT    2    1    5    4    4                                       
CONECT    2    3                                                      
CONECT    3    2   52                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6                                                 
CONECT    6    5    7   53   54                                       
CONECT    7    6   15   15    8                                       
CONECT    8    7   10   10    9                                       
CONECT    9    8   47   47   55                                       
CONECT   10    8    8   12   11                                       
CONECT   11   10   56                                                 
CONECT   12   10   13   14   14                                       
CONECT   13   12   57   58   59                                       
CONECT   14   12   12   15                                            
CONECT   15    7    7   14   60                                       
CONECT   16   17   17                                                 
CONECT   17   16   16   21   18                                       
CONECT   18   17   19   61                                            
CONECT   19   18   24   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   17   23   23   22                                       
CONECT   22   21   62   63   64                                       
CONECT   23   21   21   24   65                                       
CONECT   24   19   23   25                                            
CONECT   25   24   26   27   66                                       
CONECT   26   25   30                                                 
CONECT   27   25   28   67   68                                       
CONECT   28   27   30   29   69                                       
CONECT   29   28   70                                                 
CONECT   30   26   28   31   71                                       
CONECT   31   30   32   72   73                                       
CONECT   32   31   33                                                 
CONECT   33   32   36   35   35                                       
CONECT   33   34                                                      
CONECT   34   33   74                                                 
CONECT   35   33   33                                                 
CONECT   36   33   37                                                 
CONECT   37   36   40   39   39                                       
CONECT   37   38                                                      
CONECT   38   37   75                                                 
CONECT   39   37   37                                                 
CONECT   40   37   50                                                 
CONECT   41   42   76                                                 
CONECT   42   41   46   43   77                                       
CONECT   43   42   44   45   78                                       
CONECT   44   43   50                                                 
CONECT   45   43   79   80   81                                       
CONECT   46   42   47   48   82                                       
CONECT   47    9    9   46                                            
CONECT   48   46   49   50   83                                       
CONECT   49   48   84                                                 
CONECT   50   40   44   48   85                                       
CONECT   51    1                                                      
CONECT   52    3                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    9                                                      
CONECT   56   11                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   15                                                      
CONECT   61   18                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   25                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   34                                                      
CONECT   75   38                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   45                                                      
CONECT   80   45                                                      
CONECT   81   45                                                      
CONECT   82   46                                                      
CONECT   83   48                                                      
CONECT   84   49                                                      
CONECT   85   50                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
