COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       8.166   0.831   0.869  1.00  0.00           O  
HETATM    2  P   UNL     1       7.436   0.197  -0.419  1.00  0.00           P  
HETATM    3  O   UNL     1       8.125   0.764  -1.759  1.00  0.00           O  
HETATM    4  O   UNL     1       7.567  -1.277  -0.384  1.00  0.00           O  
HETATM    5  O   UNL     1       5.877   0.598  -0.405  1.00  0.00           O  
HETATM    6  P   UNL     1       4.603   0.105   0.447  1.00  0.00           P  
HETATM    7  O   UNL     1       4.667  -1.363   0.625  1.00  0.00           O  
HETATM    8  O   UNL     1       4.612   0.822   1.889  1.00  0.00           O  
HETATM    9  O   UNL     1       3.251   0.493  -0.336  1.00  0.00           O  
HETATM   10  C   UNL     1       1.952   0.098   0.111  1.00  0.00           C  
HETATM   11  C   UNL     1       0.896   0.630  -0.860  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.474   0.215  -0.389  1.00  0.00           C  
HETATM   13  S   UNL     1      -1.309  -1.321  -0.706  1.00  0.00           S  
HETATM   14  C   UNL     1      -1.316   0.911   0.357  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.947   2.291   0.838  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.527   0.363   0.687  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.785  -0.920   0.202  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.861  -1.248   1.227  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.020  -2.977  -0.353  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.680  -5.428  -0.190  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.125  -5.446  -1.314  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.315  -6.575   0.405  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.500   1.084   1.510  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.045   2.255   0.734  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.868   3.548   1.186  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.361   4.554   0.477  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.013   4.337  -0.648  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.555   5.513  -1.419  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.204   3.121  -1.116  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.735   2.061  -0.464  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.536  -4.120   0.543  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.933   0.783  -0.963  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.876  -1.669   0.380  1.00  0.00           C  
HETATM   34  H   UNL     1       8.120   1.796   0.911  1.00  0.00           H  
HETATM   35  H   UNL     1       4.572   1.787   1.849  1.00  0.00           H  
HETATM   36  H   UNL     1       1.896  -0.989   0.149  1.00  0.00           H  
HETATM   37  H   UNL     1       1.771   0.507   1.105  1.00  0.00           H  
HETATM   38  H   UNL     1       0.952   1.718  -0.899  1.00  0.00           H  
HETATM   39  H   UNL     1       1.077   0.221  -1.854  1.00  0.00           H  
HETATM   40  H   UNL     1       0.060   2.536   0.502  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.652   3.017   0.432  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.984   2.319   1.927  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.317   0.415   1.778  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.013   1.444   2.417  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.643  -1.816   1.233  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.422  -2.951  -1.264  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.068  -3.136  -0.610  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.489  -3.961   0.800  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.134  -4.146   1.454  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.426  -7.389  -0.105  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.336   3.738   2.106  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.803   5.859  -2.129  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.452   5.211  -1.959  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.801   6.319  -0.728  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.673   0.011  -0.436  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.331   0.661  -1.839  1.00  0.00           H  
HETATM   57  H   UNL     1       9.066   0.559  -1.835  1.00  0.00           H  
CONECT    1    2   34                                                 
CONECT    2    1    4    4    3                                       
CONECT    2    5                                                      
CONECT    3    2   57                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6                                                 
CONECT    6    5    7    7    8                                       
CONECT    6    9                                                      
CONECT    7    6    6                                                 
CONECT    8    6   35                                                 
CONECT    9    6   10                                                 
CONECT   10    9   11   36   37                                       
CONECT   11   10   12   38   39                                       
CONECT   12   11   13   14   14                                       
CONECT   13   12   17                                                 
CONECT   14   12   12   15   16                                       
CONECT   15   14   40   41   42                                       
CONECT   16   14   17   23                                            
CONECT   17   13   16   33   33                                       
CONECT   18   33   45                                                 
CONECT   19   31   33   46   47                                       
CONECT   20   21   21   22   31                                       
CONECT   21   20   20                                                 
CONECT   22   20   50                                                 
CONECT   23   16   24   43   44                                       
CONECT   24   23   25   30   30                                       
CONECT   25   24   26   26   51                                       
CONECT   26   25   25   27                                            
CONECT   27   26   28   29   29                                       
CONECT   28   27   52   53   54                                       
CONECT   29   27   27   30                                            
CONECT   30   24   24   29   32                                       
CONECT   31   19   20   48   49                                       
CONECT   32   30   55   56                                            
CONECT   33   17   17   18   19                                       
CONECT   34    1                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   31                                                      
CONECT   49   31                                                      
CONECT   50   22                                                      
CONECT   51   25                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
CONECT   57    3                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
