COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.671   1.962   0.258  1.00  0.00           O  
HETATM    2  C   UNL     1       0.350   0.721  -1.917  1.00  0.00           C  
HETATM    3  C   UNL     1       1.706   1.327  -1.552  1.00  0.00           C  
HETATM    4  C   UNL     1       2.402   0.436  -0.521  1.00  0.00           C  
HETATM    5  C   UNL     1       3.821   0.952  -0.275  1.00  0.00           C  
HETATM    6  C   UNL     1       5.773   0.368   1.092  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.492  -1.755   0.181  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.449  -2.466   0.890  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.787  -3.747   0.499  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.172  -4.321  -0.599  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.217  -3.614  -1.307  1.00  0.00           C  
HETATM   12  C   UNL     1       0.123  -2.332  -0.920  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.298   1.552  -2.941  1.00  0.00           N  
HETATM   14  N   UNL     1       4.487   0.099   0.712  1.00  0.00           N  
HETATM   15  N   UNL     1       6.420   1.406   0.564  1.00  0.00           N  
HETATM   16  N   UNL     1       6.379  -0.408   1.989  1.00  0.00           N1+
HETATM   17  O   UNL     1      -0.162  -0.492   0.560  1.00  0.00           O  
HETATM   18  P   UNL     1      -0.706   0.653  -0.433  1.00  0.00           P  
HETATM   19  H   UNL     1       0.495  -0.287  -2.306  1.00  0.00           H  
HETATM   20  H   UNL     1       2.325   1.399  -2.446  1.00  0.00           H  
HETATM   21  H   UNL     1       1.558   2.322  -1.131  1.00  0.00           H  
HETATM   22  H   UNL     1       1.841   0.456   0.414  1.00  0.00           H  
HETATM   23  H   UNL     1       2.446  -0.586  -0.895  1.00  0.00           H  
HETATM   24  H   UNL     1       4.381   0.932  -1.210  1.00  0.00           H  
HETATM   25  H   UNL     1       3.776   1.975   0.099  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.929  -2.018   1.748  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.532  -4.301   1.051  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.437  -5.323  -0.903  1.00  0.00           H  
HETATM   29  H   UNL     1       0.262  -4.065  -2.164  1.00  0.00           H  
HETATM   30  H   UNL     1       0.868  -1.781  -1.474  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.444   2.492  -2.605  1.00  0.00           H  
HETATM   32  H   UNL     1       0.236   1.553  -3.797  1.00  0.00           H  
HETATM   33  H   UNL     1       4.016  -0.657   1.096  1.00  0.00           H  
HETATM   34  H   UNL     1       5.979   1.971  -0.090  1.00  0.00           H  
HETATM   35  H   UNL     1       7.332   1.597   0.834  1.00  0.00           H  
HETATM   36  H   UNL     1       5.908  -1.164   2.374  1.00  0.00           H  
HETATM   37  O   UNL     1      -2.219   0.315  -0.865  1.00  0.00           O  
HETATM   38  C   UNL     1      -3.157   0.752   0.016  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.690   2.027  -0.112  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.643   2.469   0.785  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.065   1.643   1.810  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.535   0.373   1.940  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.586  -0.077   1.042  1.00  0.00           C  
HETATM   44  H   UNL     1      -3.360   2.672  -0.913  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.058   3.461   0.685  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.810   1.991   2.510  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.866  -0.270   2.742  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.173  -1.069   1.144  1.00  0.00           H  
HETATM   49  H   UNL     1       7.291  -0.217   2.259  1.00  0.00           H  
CONECT    1   18   18                                                 
CONECT    2   13   18    3   19                                       
CONECT    3    2    4   20   21                                       
CONECT    4    3    5   22   23                                       
CONECT    5    4   14   24   25                                       
CONECT    6   14   16   16   15                                       
CONECT    7   17    8    8   12                                       
CONECT    8    7    7    9   26                                       
CONECT    9    8   10   10   27                                       
CONECT   10    9    9   11   28                                       
CONECT   11   12   12   10   29                                       
CONECT   12    7   11   11   30                                       
CONECT   13    2   31   32                                            
CONECT   14    5    6   33                                            
CONECT   15    6   34   35                                            
CONECT   16    6    6   36   49                                       
CONECT   17    7   18                                                 
CONECT   18   17    2    1    1                                       
CONECT   18   37                                                      
CONECT   19    2                                                      
CONECT   20    3                                                      
CONECT   21    3                                                      
CONECT   22    4                                                      
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25    5                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   18   38                                                 
CONECT   38   37   39   43   43                                       
CONECT   39   38   40   40   44                                       
CONECT   40   39   39   41   45                                       
CONECT   41   40   42   42   46                                       
CONECT   42   41   41   43   47                                       
CONECT   43   42   38   38   48                                       
CONECT   44   39                                                      
CONECT   45   40                                                      
CONECT   46   41                                                      
CONECT   47   42                                                      
CONECT   48   43                                                      
CONECT   49   16                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
