COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -0.641   0.962   1.181  1.00  0.00           P  
HETATM    2  O   UNL     1       0.012   0.207  -0.081  1.00  0.00           O  
HETATM    3  O   UNL     1       0.284   2.013   1.661  1.00  0.00           O  
HETATM    4  O   UNL     1      -2.036   1.635   0.742  1.00  0.00           O  
HETATM    5  O   UNL     1      -0.906  -0.098   2.363  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.483   0.628   3.449  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.761  -0.327   4.611  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.540  -0.927   5.034  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.380   0.452   5.775  1.00  0.00           C  
HETATM   10  S   UNL     1      -1.210   1.709   6.360  1.00  0.00           S  
HETATM   11  C   UNL     1      -2.693  -0.526   6.912  1.00  0.00           C  
HETATM   12  S   UNL     1      -3.246   0.395   8.373  1.00  0.00           S  
HETATM   13  C   UNL     1      -1.429  -1.315   7.254  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.411  -0.408   7.805  1.00  0.00           N  
HETATM   15  C   UNL     1       0.920  -0.876   7.885  1.00  0.00           C  
HETATM   16  C   UNL     1       1.863  -0.220   8.682  1.00  0.00           C  
HETATM   17  O   UNL     1       1.555   0.772   9.325  1.00  0.00           O  
HETATM   18  N   UNL     1       3.121  -0.710   8.729  1.00  0.00           N  
HETATM   19  C   UNL     1       3.452  -1.813   8.004  1.00  0.00           C  
HETATM   20  N   UNL     1       4.736  -2.292   8.064  1.00  0.00           N  
HETATM   21  N   UNL     1       2.569  -2.435   7.252  1.00  0.00           N  
HETATM   22  C   UNL     1       1.306  -2.000   7.168  1.00  0.00           C  
HETATM   23  N   UNL     1       0.386  -2.664   6.371  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.851  -1.963   5.988  1.00  0.00           C  
HETATM   25  P   UNL     1       0.249   1.322  -1.218  1.00  0.00           P  
HETATM   26  O   UNL     1       1.160   2.368  -0.701  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.160   1.989  -1.617  1.00  0.00           O  
HETATM   28  O   UNL     1       0.904   0.633  -2.517  1.00  0.00           O  
HETATM   29  C   UNL     1       1.089   1.668  -3.485  1.00  0.00           C  
HETATM   30  C   UNL     1       1.711   1.077  -4.751  1.00  0.00           C  
HETATM   31  O   UNL     1       0.827   0.096  -5.318  1.00  0.00           O  
HETATM   32  C   UNL     1       0.978   0.171  -6.752  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.193  -0.394  -7.425  1.00  0.00           N  
HETATM   34  C   UNL     1      -0.212  -0.982  -8.660  1.00  0.00           C  
HETATM   35  N   UNL     1       0.719  -1.235  -9.587  1.00  0.00           N  
HETATM   36  C   UNL     1       0.410  -1.837 -10.714  1.00  0.00           C  
HETATM   37  N   UNL     1       1.398  -2.072 -11.637  1.00  0.00           N  
HETATM   38  N   UNL     1      -0.863  -2.236 -10.992  1.00  0.00           N  
HETATM   39  C   UNL     1      -1.856  -2.018 -10.102  1.00  0.00           C  
HETATM   40  O   UNL     1      -2.998  -2.371 -10.342  1.00  0.00           O  
HETATM   41  C   UNL     1      -1.537  -1.372  -8.885  1.00  0.00           C  
HETATM   42  N   UNL     1      -2.255  -1.002  -7.796  1.00  0.00           N  
HETATM   43  C   UNL     1      -1.467  -0.427  -6.936  1.00  0.00           C  
HETATM   44  C   UNL     1       1.086   1.693  -7.025  1.00  0.00           C  
HETATM   45  O   UNL     1       1.786   1.944  -8.245  1.00  0.00           O  
HETATM   46  C   UNL     1       1.908   2.184  -5.804  1.00  0.00           C  
HETATM   47  O   UNL     1       3.288   2.315  -6.151  1.00  0.00           O  
HETATM   48  H   UNL     1      -2.608   0.918   0.437  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.417   1.086   3.124  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.791   1.405   3.775  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.454  -1.103   4.285  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.300   0.934   5.444  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.076   2.442   5.240  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.478  -1.213   6.596  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.336   1.001   7.868  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.667  -2.088   7.986  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.645   0.483   8.105  1.00  0.00           H  
HETATM   58  H   UNL     1       3.791  -0.271   9.276  1.00  0.00           H  
HETATM   59  H   UNL     1       4.984  -3.080   7.555  1.00  0.00           H  
HETATM   60  H   UNL     1       5.397  -1.841   8.611  1.00  0.00           H  
HETATM   61  H   UNL     1       0.557  -3.570   6.066  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.560  -2.669   5.556  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.723   1.276  -1.948  1.00  0.00           H  
HETATM   64  H   UNL     1       0.124   2.114  -3.728  1.00  0.00           H  
HETATM   65  H   UNL     1       1.750   2.433  -3.077  1.00  0.00           H  
HETATM   66  H   UNL     1       2.671   0.618  -4.513  1.00  0.00           H  
HETATM   67  H   UNL     1       1.886  -0.340  -7.070  1.00  0.00           H  
HETATM   68  H   UNL     1       2.309  -1.794 -11.453  1.00  0.00           H  
HETATM   69  H   UNL     1       1.186  -2.515 -12.473  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.057  -2.678 -11.833  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.774  -0.034  -5.978  1.00  0.00           H  
HETATM   72  H   UNL     1       0.099   2.156  -7.043  1.00  0.00           H  
HETATM   73  H   UNL     1       1.819   2.904  -8.356  1.00  0.00           H  
HETATM   74  H   UNL     1       1.516   3.133  -5.438  1.00  0.00           H  
HETATM   75  H   UNL     1       3.338   2.977  -6.854  1.00  0.00           H  
CONECT    1    2    3    3    4                                       
CONECT    1    5                                                      
CONECT    2    1   25                                                 
CONECT    3    1    1                                                 
CONECT    4    1   48                                                 
CONECT    5    1    6                                                 
CONECT    6    5    7   49   50                                       
CONECT    7    6    8    9   51                                       
CONECT    8    7   24                                                 
CONECT    9    7   10   11   52                                       
CONECT   10    9   53                                                 
CONECT   11    9   12   13   54                                       
CONECT   12   11   55                                                 
CONECT   13   11   14   24   56                                       
CONECT   14   13   15   57                                            
CONECT   15   14   16   22   22                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   58                                            
CONECT   19   18   20   21   21                                       
CONECT   20   19   59   60                                            
CONECT   21   19   19   22                                            
CONECT   22   15   15   21   23                                       
CONECT   23   22   24   61                                            
CONECT   24    8   13   23   62                                       
CONECT   25    2   26   26   27                                       
CONECT   25   28                                                      
CONECT   26   25   25                                                 
CONECT   27   25   63                                                 
CONECT   28   25   29                                                 
CONECT   29   28   30   64   65                                       
CONECT   30   29   31   46   66                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   44   67                                       
CONECT   33   32   34   43                                            
CONECT   34   33   35   41   41                                       
CONECT   35   34   36   36                                            
CONECT   36   35   35   37   38                                       
CONECT   37   36   68   69                                            
CONECT   38   36   39   70                                            
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   34   34   39   42                                       
CONECT   42   41   43   43                                            
CONECT   43   33   42   42   71                                       
CONECT   44   32   45   46   72                                       
CONECT   45   44   73                                                 
CONECT   46   30   44   47   74                                       
CONECT   47   46   75                                                 
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   18                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   27                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   32                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
CONECT   71   43                                                      
CONECT   72   44                                                      
CONECT   73   45                                                      
CONECT   74   46                                                      
CONECT   75   47                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
