COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.955  -2.146  -0.069  1.00  0.00           N  
HETATM    2  C   UNL     1       6.972  -1.451  -0.543  1.00  0.00           C  
HETATM    3  C   UNL     1       8.065  -2.157  -1.304  1.00  0.00           C  
HETATM    4  C   UNL     1       7.046  -0.087  -0.355  1.00  0.00           C  
HETATM    5  C   UNL     1       6.029   0.556   0.350  1.00  0.00           C  
HETATM    6  N   UNL     1       6.065   1.931   0.561  1.00  0.00           N  
HETATM    7  C   UNL     1       4.974  -0.216   0.838  1.00  0.00           C  
HETATM    8  C   UNL     1       4.975  -1.575   0.608  1.00  0.00           C  
HETATM    9  C   UNL     1       3.849   0.428   1.607  1.00  0.00           C  
HETATM   10  N   UNL     1       2.848   0.942   0.669  1.00  0.00           N1+
HETATM   11  C   UNL     1       2.914   2.195   0.282  1.00  0.00           C  
HETATM   12  S   UNL     1       1.555   2.319  -0.792  1.00  0.00           S  
HETATM   13  C   UNL     1       0.984   0.633  -0.637  1.00  0.00           C  
HETATM   14  C   UNL     1       1.905   0.136   0.227  1.00  0.00           C  
HETATM   15  C   UNL     1       1.843  -1.301   0.679  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.191  -0.050  -1.290  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.428   0.105  -0.403  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.541  -0.542  -1.022  1.00  0.00           O  
HETATM   19  P   UNL     1      -3.801  -0.341  -0.040  1.00  0.00           P  
HETATM   20  O   UNL     1      -3.532  -1.116   1.345  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.990   1.102   0.231  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.126  -0.933  -0.738  1.00  0.00           O  
HETATM   23  P   UNL     1      -6.385  -0.254   0.001  1.00  0.00           P  
HETATM   24  O   UNL     1      -7.712  -0.484  -0.880  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.573  -0.896   1.393  1.00  0.00           O1-
HETATM   26  O   UNL     1      -6.130   1.262   0.163  1.00  0.00           O  
HETATM   27  H   UNL     1       8.843  -2.476  -0.610  1.00  0.00           H  
HETATM   28  H   UNL     1       7.650  -3.029  -1.810  1.00  0.00           H  
HETATM   29  H   UNL     1       8.491  -1.478  -2.041  1.00  0.00           H  
HETATM   30  H   UNL     1       7.879   0.476  -0.749  1.00  0.00           H  
HETATM   31  H   UNL     1       6.804   2.455   0.216  1.00  0.00           H  
HETATM   32  H   UNL     1       5.351   2.365   1.053  1.00  0.00           H  
HETATM   33  H   UNL     1       4.163  -2.180   0.982  1.00  0.00           H  
HETATM   34  H   UNL     1       3.387  -0.311   2.262  1.00  0.00           H  
HETATM   35  H   UNL     1       4.241   1.249   2.206  1.00  0.00           H  
HETATM   36  H   UNL     1       3.630   2.954   0.560  1.00  0.00           H  
HETATM   37  H   UNL     1       2.502  -1.906   0.056  1.00  0.00           H  
HETATM   38  H   UNL     1       2.164  -1.368   1.719  1.00  0.00           H  
HETATM   39  H   UNL     1       0.820  -1.666   0.590  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.381   0.405  -2.262  1.00  0.00           H  
HETATM   41  H   UNL     1       0.032  -1.109  -1.422  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.237  -0.350   0.569  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.650   1.164  -0.271  1.00  0.00           H  
HETATM   44  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   45  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
CONECT    1    2    2    8                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   27   28   29                                       
CONECT    4    2    5    5   30                                       
CONECT    5    4    4    6    7                                       
CONECT    6    5   31   32                                            
CONECT    7    5    8    8    9                                       
CONECT    8    1    7    7   33                                       
CONECT    9    7   10   34   35                                       
CONECT   10    9   11   11   14                                       
CONECT   11   10   10   12   36                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   14   16                                       
CONECT   14   10   13   13   15                                       
CONECT   15   14   37   38   39                                       
CONECT   16   13   17   40   41                                       
CONECT   17   16   18   42   43                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   20   21                                       
CONECT   19   22                                                      
CONECT   20   19   19                                                 
CONECT   21   19   44                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24   24   25                                       
CONECT   23   26                                                      
CONECT   24   23   23                                                 
CONECT   25   23                                                      
CONECT   26   23   45                                                 
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   21                                                      
CONECT   45   26                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
