COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -9.980  -1.405  -1.604  1.00  0.00           O  
HETATM    2  P   UNL     1      -8.736  -2.163  -2.289  1.00  0.00           P  
HETATM    3  O   UNL     1      -9.279  -3.397  -3.169  1.00  0.00           O  
HETATM    4  O   UNL     1      -8.003  -1.219  -3.162  1.00  0.00           O  
HETATM    5  O   UNL     1      -7.747  -2.714  -1.144  1.00  0.00           O  
HETATM    6  C   UNL     1      -7.020  -1.854  -0.264  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.193  -2.687   0.681  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.221  -4.066   0.605  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.501  -4.804   1.428  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.729  -4.264   2.350  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.926  -5.153   3.264  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.648  -2.886   2.487  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.851  -2.334   3.440  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.391  -2.077   1.633  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.332  -0.576   1.747  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.256  -0.061   0.890  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.252   1.408   0.874  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.715   1.903  -0.471  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.643   1.436  -1.594  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.658   3.331  -0.463  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.352   1.929   1.998  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.887   1.533   3.262  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.294   3.458   1.923  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.600   3.997   2.141  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.794   3.875   0.537  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.468   3.380   0.341  1.00  0.00           O  
HETATM   27  P   UNL     1      -0.382   4.126  -0.585  1.00  0.00           P  
HETATM   28  O   UNL     1      -0.227   5.527  -0.132  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.880   4.109  -2.116  1.00  0.00           O  
HETATM   30  O   UNL     1       1.033   3.366  -0.472  1.00  0.00           O  
HETATM   31  P   UNL     1       2.556   3.786  -0.780  1.00  0.00           P  
HETATM   32  O   UNL     1       2.818   5.133  -0.224  1.00  0.00           O  
HETATM   33  O   UNL     1       2.796   3.806  -2.371  1.00  0.00           O  
HETATM   34  O   UNL     1       3.554   2.722  -0.099  1.00  0.00           O  
HETATM   35  C   UNL     1       4.975   2.875  -0.104  1.00  0.00           C  
HETATM   36  C   UNL     1       5.617   1.692   0.624  1.00  0.00           C  
HETATM   37  O   UNL     1       5.466   0.482  -0.151  1.00  0.00           O  
HETATM   38  C   UNL     1       7.144   1.897   0.742  1.00  0.00           C  
HETATM   39  O   UNL     1       7.482   2.408   2.033  1.00  0.00           O  
HETATM   40  C   UNL     1       7.729   0.480   0.550  1.00  0.00           C  
HETATM   41  O   UNL     1       8.447   0.073   1.717  1.00  0.00           O  
HETATM   42  C   UNL     1       6.487  -0.414   0.340  1.00  0.00           C  
HETATM   43  N   UNL     1       6.770  -1.455  -0.651  1.00  0.00           N  
HETATM   44  C   UNL     1       6.554  -1.370  -1.996  1.00  0.00           C  
HETATM   45  N   UNL     1       6.920  -2.478  -2.572  1.00  0.00           N  
HETATM   46  C   UNL     1       7.306  -2.689  -0.398  1.00  0.00           C  
HETATM   47  C   UNL     1       7.391  -3.336  -1.636  1.00  0.00           C  
HETATM   48  C   UNL     1       7.916  -4.649  -1.678  1.00  0.00           C  
HETATM   49  O   UNL     1       8.009  -5.251  -2.734  1.00  0.00           O  
HETATM   50  N   UNL     1       7.716  -3.318   0.709  1.00  0.00           N  
HETATM   51  C   UNL     1       8.204  -4.538   0.656  1.00  0.00           C  
HETATM   52  N   UNL     1       8.313  -5.220  -0.519  1.00  0.00           N  
HETATM   53  N   UNL     1       8.612  -5.143   1.818  1.00  0.00           N  
HETATM   54  H   UNL     1     -10.507  -1.964  -1.016  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.882  -3.139  -3.879  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.365  -1.207  -0.847  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.720  -1.243   0.307  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.841  -4.546  -0.137  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.951  -5.347   2.818  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.794  -4.660   4.227  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.453  -6.096   3.409  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.948  -2.156   3.142  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.284  -0.150   1.430  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.137  -0.297   2.783  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.359  -0.422   1.180  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.268   1.776   1.019  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.716   1.500  -0.634  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.619   1.907  -1.478  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.217   1.716  -2.558  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.754   0.353  -1.547  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.348   1.520   1.881  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.366   1.830   4.021  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.612   3.835   2.685  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.637   4.962   2.108  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.791   4.962   0.463  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.003   3.222  -2.480  1.00  0.00           H  
HETATM   77  H   UNL     1       2.643   2.955  -2.803  1.00  0.00           H  
HETATM   78  H   UNL     1       5.334   2.906  -1.132  1.00  0.00           H  
HETATM   79  H   UNL     1       5.242   3.802   0.403  1.00  0.00           H  
HETATM   80  H   UNL     1       5.174   1.569   1.612  1.00  0.00           H  
HETATM   81  H   UNL     1       7.500   2.567  -0.041  1.00  0.00           H  
HETATM   82  H   UNL     1       8.429   2.556   2.161  1.00  0.00           H  
HETATM   83  H   UNL     1       8.377   0.450  -0.325  1.00  0.00           H  
HETATM   84  H   UNL     1       9.203   0.637   1.931  1.00  0.00           H  
HETATM   85  H   UNL     1       6.176  -0.863   1.283  1.00  0.00           H  
HETATM   86  H   UNL     1       6.140  -0.512  -2.505  1.00  0.00           H  
HETATM   87  H   UNL     1       8.677  -6.119  -0.523  1.00  0.00           H  
HETATM   88  H   UNL     1       8.539  -4.671   2.663  1.00  0.00           H  
HETATM   89  H   UNL     1       8.974  -6.043   1.795  1.00  0.00           H  
CONECT    1    2   54                                                 
CONECT    2    5    4    4    1                                       
CONECT    2    3                                                      
CONECT    3    2   55                                                 
CONECT    4    2    2                                                 
CONECT    5    6    2                                                 
CONECT    6    7    5   56   57                                       
CONECT    7    8    8   14    6                                       
CONECT    8    9    7    7   58                                       
CONECT    9   10   10    8                                            
CONECT   10   11    9    9   12                                       
CONECT   11   10   59   60   61                                       
CONECT   12   10   13   14   14                                       
CONECT   13   12   62                                                 
CONECT   14   12   12    7   15                                       
CONECT   15   14   16   63   64                                       
CONECT   16   15   17   65                                            
CONECT   17   16   18   21   66                                       
CONECT   18   19   17   20   67                                       
CONECT   19   18   68   69   70                                       
CONECT   20   18   25                                                 
CONECT   21   17   22   23   71                                       
CONECT   22   21   72                                                 
CONECT   23   21   25   24   73                                       
CONECT   24   23   74                                                 
CONECT   25   20   23   26   75                                       
CONECT   26   25   27                                                 
CONECT   27   28   28   26   30                                       
CONECT   27   29                                                      
CONECT   28   27   27                                                 
CONECT   29   27   76                                                 
CONECT   30   27   31                                                 
CONECT   31   30   34   32   32                                       
CONECT   31   33                                                      
CONECT   32   31   31                                                 
CONECT   33   31   77                                                 
CONECT   34   35   31                                                 
CONECT   35   36   34   78   79                                       
CONECT   36   37   35   38   80                                       
CONECT   37   36   42                                                 
CONECT   38   36   39   40   81                                       
CONECT   39   38   82                                                 
CONECT   40   42   38   41   83                                       
CONECT   41   40   84                                                 
CONECT   42   37   43   40   85                                       
CONECT   43   42   46   44                                            
CONECT   44   43   45   45   86                                       
CONECT   45   44   44   47                                            
CONECT   46   43   50   47   47                                       
CONECT   47   46   46   45   48                                       
CONECT   48   47   52   49   49                                       
CONECT   49   48   48                                                 
CONECT   50   46   51   51                                            
CONECT   51   50   50   53   52                                       
CONECT   52   51   48   87                                            
CONECT   53   51   88   89                                            
CONECT   54    1                                                      
CONECT   55    3                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    8                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   13                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   29                                                      
CONECT   77   33                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   44                                                      
CONECT   87   52                                                      
CONECT   88   53                                                      
CONECT   89   53                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
