COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.036  -3.868  -0.514  1.00  0.00           O  
HETATM    2  P   UNL     1      -6.251  -2.772   0.367  1.00  0.00           P  
HETATM    3  O   UNL     1      -6.034  -1.437  -0.506  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.656  -0.184   0.068  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.538   0.868  -1.036  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.477   0.430  -2.047  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.886   1.018  -1.744  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.133   2.209  -0.421  1.00  0.00           C  
HETATM    9  O   UNL     1      -6.184   2.683   0.423  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.877   2.030   0.393  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.701   1.801  -0.224  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.500   1.523   0.567  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.312   1.301  -0.370  1.00  0.00           C  
HETATM   14  C   UNL     1       0.924   1.015   0.445  1.00  0.00           C  
HETATM   15  N   UNL     1       2.100   0.786  -0.172  1.00  0.00           N  
HETATM   16  C   UNL     1       3.300   0.508   0.620  1.00  0.00           C  
HETATM   17  C   UNL     1       4.489   0.286  -0.317  1.00  0.00           C  
HETATM   18  S   UNL     1       5.973  -0.058   0.661  1.00  0.00           S  
HETATM   19  C   UNL     1       7.151  -0.266  -0.632  1.00  0.00           C  
HETATM   20  C   UNL     1       8.549  -0.572  -0.309  1.00  0.00           C  
HETATM   21  C   UNL     1       9.572  -0.760  -1.214  1.00  0.00           C  
HETATM   22  C   UNL     1      10.729  -1.026  -0.475  1.00  0.00           C  
HETATM   23  C   UNL     1      10.400  -0.998   0.838  1.00  0.00           C  
HETATM   24  N   UNL     1       9.079  -0.717   0.953  1.00  0.00           N  
HETATM   25  O   UNL     1       6.805  -0.157  -1.794  1.00  0.00           O  
HETATM   26  O   UNL     1       0.859   0.991   1.656  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.925   2.092   1.603  1.00  0.00           O  
HETATM   28  O   UNL     1      -7.043  -2.449   1.574  1.00  0.00           O  
HETATM   29  H   UNL     1      -7.202  -4.700  -0.050  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.412   0.128   0.788  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.696  -0.291   0.573  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.810  -0.476  -2.554  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.325   1.221  -2.781  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.539   0.231  -1.527  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.664   1.213  -1.007  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.836   1.849  -2.448  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.117   0.099  -2.283  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.951   2.933  -1.216  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.400   2.088   1.154  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.650   1.820  -1.193  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.294   2.369   1.223  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.661   0.628   1.169  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.519   0.455  -1.025  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.151   2.196  -0.971  1.00  0.00           H  
HETATM   45  H   UNL     1       2.151   0.805  -1.140  1.00  0.00           H  
HETATM   46  H   UNL     1       3.507   1.354   1.275  1.00  0.00           H  
HETATM   47  H   UNL     1       3.140  -0.387   1.221  1.00  0.00           H  
HETATM   48  H   UNL     1       4.282  -0.560  -0.973  1.00  0.00           H  
HETATM   49  H   UNL     1       4.650   1.181  -0.919  1.00  0.00           H  
HETATM   50  H   UNL     1       9.494  -0.711  -2.290  1.00  0.00           H  
HETATM   51  H   UNL     1      11.710  -1.225  -0.881  1.00  0.00           H  
HETATM   52  H   UNL     1      11.080  -1.166   1.660  1.00  0.00           H  
HETATM   53  H   UNL     1       8.587  -0.637   1.785  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.988  -3.294   0.755  1.00  0.00           H  
CONECT    1    2   29                                                 
CONECT    2   28   28    3    1                                       
CONECT    2   54                                                      
CONECT    3    4    2                                                 
CONECT    4    3    5   30   31                                       
CONECT    5    8    4    7    6                                       
CONECT    6    5   32   33   34                                       
CONECT    7    5   35   36   37                                       
CONECT    8   10    9    5   38                                       
CONECT    9    8   39                                                 
CONECT   10   11   27   27    8                                       
CONECT   11   12   10   40                                            
CONECT   12   13   11   41   42                                       
CONECT   13   14   12   43   44                                       
CONECT   14   15   26   26   13                                       
CONECT   15   16   14   45                                            
CONECT   16   17   15   46   47                                       
CONECT   17   18   16   48   49                                       
CONECT   18   19   17                                                 
CONECT   19   20   18   25   25                                       
CONECT   20   21   21   24   19                                       
CONECT   21   22   20   20   50                                       
CONECT   22   23   23   21   51                                       
CONECT   23   22   22   24   52                                       
CONECT   24   23   20   53                                            
CONECT   25   19   19                                                 
CONECT   26   14   14                                                 
CONECT   27   10   10                                                 
CONECT   28    2    2                                                 
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54    2                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
