COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -0.318  -1.061   0.687  1.00  0.00           P  
HETATM    2  O   UNL     1       0.196  -0.446   1.931  1.00  0.00           O  
HETATM    3  O   UNL     1      -1.026  -2.465   1.036  1.00  0.00           O  
HETATM    4  O   UNL     1      -1.391  -0.074   0.004  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.384   0.205   0.993  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.439   1.144   0.405  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.171   0.469  -0.632  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.450   1.545   1.497  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.454   2.962   1.688  1.00  0.00           O  
HETATM   10  C   UNL     1      -5.816   1.069   0.938  1.00  0.00           C  
HETATM   11  O   UNL     1      -6.837   2.036   1.196  1.00  0.00           O  
HETATM   12  C   UNL     1      -5.527   0.963  -0.581  1.00  0.00           C  
HETATM   13  N   UNL     1      -6.445   0.017  -1.220  1.00  0.00           N  
HETATM   14  C   UNL     1      -6.237  -1.320  -1.389  1.00  0.00           C  
HETATM   15  N   UNL     1      -7.257  -1.856  -1.993  1.00  0.00           N  
HETATM   16  C   UNL     1      -8.182  -0.900  -2.250  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.446  -0.887  -2.863  1.00  0.00           C  
HETATM   18  N   UNL     1     -10.000  -2.051  -3.367  1.00  0.00           N  
HETATM   19  N   UNL     1     -10.098   0.268  -2.947  1.00  0.00           N  
HETATM   20  C   UNL     1      -9.578   1.383  -2.468  1.00  0.00           C  
HETATM   21  N   UNL     1      -8.397   1.419  -1.887  1.00  0.00           N  
HETATM   22  C   UNL     1      -7.674   0.312  -1.752  1.00  0.00           C  
HETATM   23  O   UNL     1       0.903  -1.315  -0.331  1.00  0.00           O  
HETATM   24  P   UNL     1       2.101  -1.959   0.530  1.00  0.00           P  
HETATM   25  O   UNL     1       1.835  -3.467   0.734  1.00  0.00           O  
HETATM   26  O   UNL     1       2.181  -1.260   1.905  1.00  0.00           O1-
HETATM   27  O   UNL     1       3.493  -1.761  -0.255  1.00  0.00           O  
HETATM   28  C   UNL     1       4.525  -2.244   0.607  1.00  0.00           C  
HETATM   29  C   UNL     1       5.881  -2.083  -0.082  1.00  0.00           C  
HETATM   30  O   UNL     1       6.199  -0.684  -0.247  1.00  0.00           O  
HETATM   31  C   UNL     1       7.011  -2.642   0.811  1.00  0.00           C  
HETATM   32  O   UNL     1       7.363  -3.966   0.404  1.00  0.00           O  
HETATM   33  C   UNL     1       8.191  -1.670   0.578  1.00  0.00           C  
HETATM   34  O   UNL     1       9.309  -2.364   0.021  1.00  0.00           O  
HETATM   35  C   UNL     1       7.632  -0.638  -0.427  1.00  0.00           C  
HETATM   36  N   UNL     1       8.141   0.701  -0.120  1.00  0.00           N1+
HETATM   37  C   UNL     1       9.125   1.192  -0.844  1.00  0.00           C  
HETATM   38  C   UNL     1       9.638   2.462  -0.575  1.00  0.00           C  
HETATM   39  C   UNL     1      10.744   3.012  -1.384  1.00  0.00           C  
HETATM   40  S   UNL     1      11.971   1.973  -1.973  1.00  0.00           S  
HETATM   41  N   UNL     1      10.789   4.330  -1.658  1.00  0.00           N  
HETATM   42  C   UNL     1       9.082   3.209   0.471  1.00  0.00           C  
HETATM   43  C   UNL     1       8.047   2.649   1.198  1.00  0.00           C  
HETATM   44  C   UNL     1       7.598   1.381   0.872  1.00  0.00           C  
HETATM   45  P   UNL     1      -8.043   1.257   1.924  1.00  0.00           P  
HETATM   46  O   UNL     1      -7.526   0.560   3.124  1.00  0.00           O  
HETATM   47  O   UNL     1      -9.176   2.313   2.363  1.00  0.00           O  
HETATM   48  O   UNL     1      -8.677   0.180   0.909  1.00  0.00           O  
HETATM   49  H   UNL     1      -1.347  -2.831   0.200  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.858  -0.725   1.304  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.914   0.680   1.854  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.959   2.034  -0.001  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.222   1.036   2.433  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.583   3.199   2.035  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.090   0.098   1.351  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.596   1.942  -1.055  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.356  -1.855  -1.068  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.515  -2.888  -3.300  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.874  -2.029  -3.788  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.141   2.300  -2.558  1.00  0.00           H  
HETATM   61  H   UNL     1       4.352  -3.297   0.827  1.00  0.00           H  
HETATM   62  H   UNL     1       4.520  -1.673   1.535  1.00  0.00           H  
HETATM   63  H   UNL     1       5.877  -2.588  -1.049  1.00  0.00           H  
HETATM   64  H   UNL     1       6.709  -2.634   1.858  1.00  0.00           H  
HETATM   65  H   UNL     1       8.070  -4.261   0.994  1.00  0.00           H  
HETATM   66  H   UNL     1       8.473  -1.180   1.510  1.00  0.00           H  
HETATM   67  H   UNL     1       9.573  -3.033   0.668  1.00  0.00           H  
HETATM   68  H   UNL     1       7.896  -0.919  -1.446  1.00  0.00           H  
HETATM   69  H   UNL     1       9.543   0.605  -1.648  1.00  0.00           H  
HETATM   70  H   UNL     1      11.515   4.691  -2.189  1.00  0.00           H  
HETATM   71  H   UNL     1      10.091   4.918  -1.327  1.00  0.00           H  
HETATM   72  H   UNL     1       9.452   4.196   0.705  1.00  0.00           H  
HETATM   73  H   UNL     1       7.594   3.195   2.012  1.00  0.00           H  
HETATM   74  H   UNL     1       6.791   0.941   1.438  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.878   1.807   2.795  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.000   0.675   0.144  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1   23                                                      
CONECT    2    1    1                                                 
CONECT    3    1   49                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6   50   51                                       
CONECT    6    5    7    8   52                                       
CONECT    7    6   12                                                 
CONECT    8    6    9   10   53                                       
CONECT    9    8   54                                                 
CONECT   10    8   11   12   55                                       
CONECT   11   10   45                                                 
CONECT   12    7   10   13   56                                       
CONECT   13   12   14   22                                            
CONECT   14   13   15   15   57                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   22   22                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   58   59                                            
CONECT   19   17   17   20                                            
CONECT   20   19   21   21   60                                       
CONECT   21   20   20   22                                            
CONECT   22   13   16   16   21                                       
CONECT   23    1   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   24   27                                                      
CONECT   25   24   24                                                 
CONECT   26   24                                                      
CONECT   27   24   28                                                 
CONECT   28   27   29   61   62                                       
CONECT   29   28   30   31   63                                       
CONECT   30   29   35                                                 
CONECT   31   29   32   33   64                                       
CONECT   32   31   65                                                 
CONECT   33   31   34   35   66                                       
CONECT   34   33   67                                                 
CONECT   35   30   33   36   68                                       
CONECT   36   35   37   44   44                                       
CONECT   37   36   38   38   69                                       
CONECT   38   37   37   39   42                                       
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   70   71                                            
CONECT   42   38   43   43   72                                       
CONECT   43   42   42   44   73                                       
CONECT   44   36   36   43   74                                       
CONECT   45   11   46   46   47                                       
CONECT   45   48                                                      
CONECT   46   45   45                                                 
CONECT   47   45   75                                                 
CONECT   48   45   76                                                 
CONECT   49    3                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   20                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   37                                                      
CONECT   70   41                                                      
CONECT   71   41                                                      
CONECT   72   42                                                      
CONECT   73   43                                                      
CONECT   74   44                                                      
CONECT   75   47                                                      
CONECT   76   48                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
