COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       2.107   6.110  -2.438  1.00  0.00           P  
HETATM    2  O   UNL     1       0.715   5.886  -1.925  1.00  0.00           O  
HETATM    3  O   UNL     1       3.252   6.191  -1.301  1.00  0.00           O  
HETATM    4  O   UNL     1       2.314   7.470  -3.286  1.00  0.00           O  
HETATM    5  P   UNL     1       2.092   4.419  -4.858  1.00  0.00           P  
HETATM    6  O   UNL     1       0.699   3.863  -4.838  1.00  0.00           O  
HETATM    7  O   UNL     1       2.306   5.683  -5.843  1.00  0.00           O  
HETATM    8  O   UNL     1       2.640   4.957  -3.437  1.00  0.00           O  
HETATM    9  P   UNL     1       3.769   1.990  -4.649  1.00  0.00           P  
HETATM   10  S   UNL     1       5.135   1.035  -5.646  1.00  0.00           S  
HETATM   11  O   UNL     1       4.213   2.444  -3.155  1.00  0.00           O  
HETATM   12  O   UNL     1       3.261   3.391  -5.284  1.00  0.00           O  
HETATM   13  O   UNL     1       2.393   1.188  -4.339  1.00  0.00           O  
HETATM   14  C   UNL     1       2.420   0.051  -3.493  1.00  0.00           C  
HETATM   15  C   UNL     1       1.519   0.303  -2.298  1.00  0.00           C  
HETATM   16  O   UNL     1       2.017   1.423  -1.547  1.00  0.00           O  
HETATM   17  C   UNL     1       1.465  -0.865  -1.325  1.00  0.00           C  
HETATM   18  O   UNL     1       0.501  -1.829  -1.694  1.00  0.00           O  
HETATM   19  C   UNL     1       1.083  -0.170  -0.038  1.00  0.00           C  
HETATM   20  C   UNL     1       1.873   1.125  -0.144  1.00  0.00           C  
HETATM   21  N   UNL     1       1.257   2.259   0.534  1.00  0.00           N  
HETATM   22  C   UNL     1       0.318   3.108   0.004  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.051   4.040   0.858  1.00  0.00           N  
HETATM   24  C   UNL     1       0.680   3.788   1.992  1.00  0.00           C  
HETATM   25  C   UNL     1       0.736   4.418   3.231  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.061   5.544   3.500  1.00  0.00           N  
HETATM   27  N   UNL     1       1.572   3.932   4.180  1.00  0.00           N  
HETATM   28  C   UNL     1       2.315   2.844   3.862  1.00  0.00           C  
HETATM   29  N   UNL     1       2.348   2.150   2.703  1.00  0.00           N  
HETATM   30  C   UNL     1       1.499   2.685   1.812  1.00  0.00           C  
HETATM   31  H   UNL     1       3.104   6.762  -0.517  1.00  0.00           H  
HETATM   32  H   UNL     1       1.967   8.313  -2.923  1.00  0.00           H  
HETATM   33  H   UNL     1       1.673   6.432  -5.798  1.00  0.00           H  
HETATM   34  H   UNL     1       4.286   1.759  -2.457  1.00  0.00           H  
HETATM   35  H   UNL     1       2.073  -0.818  -4.059  1.00  0.00           H  
HETATM   36  H   UNL     1       3.450  -0.121  -3.168  1.00  0.00           H  
HETATM   37  H   UNL     1       0.517   0.560  -2.662  1.00  0.00           H  
HETATM   38  H   UNL     1       2.442  -1.350  -1.222  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.371  -1.402  -1.641  1.00  0.00           H  
HETATM   40  H   UNL     1       0.002   0.014  -0.002  1.00  0.00           H  
HETATM   41  H   UNL     1       1.337  -0.751   0.854  1.00  0.00           H  
HETATM   42  H   UNL     1       2.876   1.023   0.284  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.055   2.995  -1.005  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.929   5.428   3.988  1.00  0.00           H  
HETATM   45  H   UNL     1       0.201   6.434   3.121  1.00  0.00           H  
HETATM   46  H   UNL     1       2.973   2.482   4.644  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1    8                                                      
CONECT    2    1    1                                                 
CONECT    3    1   31                                                 
CONECT    4    1   32                                                 
CONECT    5    6    6    7    8                                       
CONECT    5   12                                                      
CONECT    6    5    5                                                 
CONECT    7    5   33                                                 
CONECT    8    1    5                                                 
CONECT    9   10   10   11   12                                       
CONECT    9   13                                                      
CONECT   10    9    9                                                 
CONECT   11    9   34                                                 
CONECT   12    5    9                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   35   36                                       
CONECT   15   14   16   17   37                                       
CONECT   16   15   20                                                 
CONECT   17   15   18   19   38                                       
CONECT   18   17   39                                                 
CONECT   19   17   20   40   41                                       
CONECT   20   16   19   21   42                                       
CONECT   21   20   22   30                                            
CONECT   22   21   23   23   43                                       
CONECT   23   22   22   24                                            
CONECT   24   23   25   30   30                                       
CONECT   25   24   26   27   27                                       
CONECT   26   25   44   45                                            
CONECT   27   25   25   28                                            
CONECT   28   27   29   29   46                                       
CONECT   29   28   28   30                                            
CONECT   30   21   24   24   29                                       
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34   11                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   28                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
