COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       0.245  -3.153  -0.038  1.00  0.00           P  
HETATM    2  O   UNL     1       0.173  -4.254  -1.024  1.00  0.00           O  
HETATM    3  O   UNL     1       0.777  -3.727   1.369  1.00  0.00           O  
HETATM    4  O   UNL     1       1.256  -2.019  -0.572  1.00  0.00           O  
HETATM    5  C   UNL     1       2.607  -2.295  -0.946  1.00  0.00           C  
HETATM    6  C   UNL     1       3.283  -1.002  -1.405  1.00  0.00           C  
HETATM    7  O   UNL     1       3.409  -0.096  -0.296  1.00  0.00           O  
HETATM    8  C   UNL     1       4.707  -1.306  -1.911  1.00  0.00           C  
HETATM    9  O   UNL     1       4.843  -0.921  -3.281  1.00  0.00           O  
HETATM   10  C   UNL     1       5.623  -0.442  -1.011  1.00  0.00           C  
HETATM   11  O   UNL     1       6.672   0.155  -1.775  1.00  0.00           O  
HETATM   12  C   UNL     1       4.639   0.636  -0.487  1.00  0.00           C  
HETATM   13  N   UNL     1       5.112   1.190   0.784  1.00  0.00           N  
HETATM   14  C   UNL     1       4.811   0.724   2.029  1.00  0.00           C  
HETATM   15  N   UNL     1       5.401   1.453   2.932  1.00  0.00           N  
HETATM   16  C   UNL     1       6.115   2.431   2.325  1.00  0.00           C  
HETATM   17  C   UNL     1       6.929   3.485   2.775  1.00  0.00           C  
HETATM   18  N   UNL     1       7.140   3.689   4.127  1.00  0.00           N  
HETATM   19  N   UNL     1       7.491   4.280   1.871  1.00  0.00           N  
HETATM   20  C   UNL     1       7.296   4.093   0.578  1.00  0.00           C  
HETATM   21  N   UNL     1       6.542   3.121   0.112  1.00  0.00           N  
HETATM   22  C   UNL     1       5.943   2.271   0.940  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.220  -2.515   0.162  1.00  0.00           O  
HETATM   24  P   UNL     1      -2.692  -3.135   0.363  1.00  0.00           P  
HETATM   25  O   UNL     1      -3.209  -3.681  -0.987  1.00  0.00           O1-
HETATM   26  O   UNL     1      -2.631  -4.284   1.393  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.689  -1.989   0.895  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.044  -2.248   1.269  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.704  -0.946   1.727  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.819  -0.040   0.616  1.00  0.00           O  
HETATM   31  C   UNL     1      -7.131  -1.232   2.233  1.00  0.00           C  
HETATM   32  O   UNL     1      -7.263  -0.843   3.602  1.00  0.00           O  
HETATM   33  C   UNL     1      -8.037  -0.358   1.332  1.00  0.00           C  
HETATM   34  O   UNL     1      -9.079   0.252   2.095  1.00  0.00           O  
HETATM   35  C   UNL     1      -7.041   0.706   0.806  1.00  0.00           C  
HETATM   36  N   UNL     1      -7.506   1.265  -0.466  1.00  0.00           N1+
HETATM   37  C   UNL     1      -8.033   2.471  -0.480  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.487   3.034  -1.674  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.078   4.388  -1.690  1.00  0.00           C  
HETATM   40  O   UNL     1      -9.173   5.021  -0.658  1.00  0.00           O  
HETATM   41  C   UNL     1      -8.373   2.293  -2.857  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.811   1.030  -2.788  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.381   0.546  -1.566  1.00  0.00           C  
HETATM   44  P   UNL     1       8.233  -0.087  -1.461  1.00  0.00           P  
HETATM   45  O   UNL     1       8.512   0.265  -0.050  1.00  0.00           O  
HETATM   46  O   UNL     1       8.597  -1.635  -1.710  1.00  0.00           O  
HETATM   47  O   UNL     1       9.125   0.838  -2.431  1.00  0.00           O  
HETATM   48  O   UNL     1      -9.513   4.919  -2.849  1.00  0.00           O  
HETATM   49  H   UNL     1       0.849  -3.058   2.064  1.00  0.00           H  
HETATM   50  H   UNL     1       3.145  -2.703  -0.090  1.00  0.00           H  
HETATM   51  H   UNL     1       2.618  -3.020  -1.760  1.00  0.00           H  
HETATM   52  H   UNL     1       2.697  -0.538  -2.198  1.00  0.00           H  
HETATM   53  H   UNL     1       4.938  -2.364  -1.787  1.00  0.00           H  
HETATM   54  H   UNL     1       4.250  -1.390  -3.883  1.00  0.00           H  
HETATM   55  H   UNL     1       6.029  -1.031  -0.190  1.00  0.00           H  
HETATM   56  H   UNL     1       4.506   1.426  -1.225  1.00  0.00           H  
HETATM   57  H   UNL     1       4.177  -0.126   2.237  1.00  0.00           H  
HETATM   58  H   UNL     1       6.724   3.101   4.777  1.00  0.00           H  
HETATM   59  H   UNL     1       7.704   4.419   4.425  1.00  0.00           H  
HETATM   60  H   UNL     1       7.772   4.764  -0.122  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.586  -2.650   0.414  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.063  -2.971   2.085  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.112  -0.488   2.519  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.375  -2.287   2.111  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.157  -0.948   3.956  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.450  -0.944   0.511  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.677  -0.379   2.520  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.897   1.496   1.543  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.116   3.030   0.441  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.714   2.697  -3.799  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.707   0.430  -3.680  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.938  -0.437  -1.510  1.00  0.00           H  
HETATM   73  H   UNL     1       8.439  -1.935  -2.616  1.00  0.00           H  
HETATM   74  H   UNL     1      10.078   0.743  -2.296  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.892   5.808  -2.809  1.00  0.00           H  
CONECT    1   23    2    2    4                                       
CONECT    1    3                                                      
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   10    9   53                                       
CONECT    9    8   54                                                 
CONECT   10    8   12   11   55                                       
CONECT   11   10   44                                                 
CONECT   12    7   13   10   56                                       
CONECT   13   14   12   22                                            
CONECT   14   15   15   13   57                                       
CONECT   15   14   14   16                                            
CONECT   16   15   22   22   17                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   58   59                                            
CONECT   19   17   17   20                                            
CONECT   20   21   21   19   60                                       
CONECT   21   22   20   20                                            
CONECT   22   13   16   16   21                                       
CONECT   23   24    1                                                 
CONECT   24   27   26   26   23                                       
CONECT   24   25                                                      
CONECT   25   24                                                      
CONECT   26   24   24                                                 
CONECT   27   28   24                                                 
CONECT   28   29   27   61   62                                       
CONECT   29   31   30   28   63                                       
CONECT   30   29   35                                                 
CONECT   31   32   33   29   64                                       
CONECT   32   31   65                                                 
CONECT   33   34   31   35   66                                       
CONECT   34   33   67                                                 
CONECT   35   33   30   36   68                                       
CONECT   36   35   37   37   43                                       
CONECT   37   36   36   38   69                                       
CONECT   38   37   39   41   41                                       
CONECT   39   40   40   38   48                                       
CONECT   40   39   39                                                 
CONECT   41   38   38   42   70                                       
CONECT   42   43   43   41   71                                       
CONECT   43   36   42   42   72                                       
CONECT   44   11   45   45   46                                       
CONECT   44   47                                                      
CONECT   45   44   44                                                 
CONECT   46   44   73                                                 
CONECT   47   44   74                                                 
CONECT   48   39   75                                                 
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   42                                                      
CONECT   72   43                                                      
CONECT   73   46                                                      
CONECT   74   47                                                      
CONECT   75   48                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
