COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.779  -1.069   1.030  1.00  0.00           C  
HETATM    2  C   UNL     1       2.567  -1.271   0.441  1.00  0.00           C  
HETATM    3  C   UNL     1       0.456   0.098   0.717  1.00  0.00           C  
HETATM    4  C   UNL     1       0.547   1.252  -0.313  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.742   2.056  -0.014  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.655   1.049   0.712  1.00  0.00           C  
HETATM    7  C   UNL     1       2.852  -2.508  -0.162  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.967   0.886  -0.059  1.00  0.00           C  
HETATM    9  C   UNL     1       4.175  -2.979  -0.116  1.00  0.00           C  
HETATM   10  C   UNL     1       0.732  -2.136  -0.423  1.00  0.00           C  
HETATM   11  C   UNL     1       2.245   2.649  -1.267  1.00  0.00           C  
HETATM   12  C   UNL     1       3.481   3.476  -0.905  1.00  0.00           C  
HETATM   13  C   UNL     1       5.713   3.283  -0.054  1.00  0.00           C  
HETATM   14  N   UNL     1       5.095  -2.228   0.482  1.00  0.00           N  
HETATM   15  N   UNL     1       3.552  -0.592   1.019  1.00  0.00           N  
HETATM   16  N   UNL     1       4.516  -4.191  -0.691  1.00  0.00           N  
HETATM   17  N   UNL     1       1.689  -2.983  -0.669  1.00  0.00           N  
HETATM   18  N   UNL     1       1.223  -1.064   0.260  1.00  0.00           N  
HETATM   19  O   UNL     1       1.710   2.050  -0.085  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.452   3.169   0.833  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.955  -0.205   0.761  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.852   0.043   0.680  1.00  0.00           O  
HETATM   23  O   UNL     1       4.509   2.608  -0.422  1.00  0.00           O  
HETATM   24  O   UNL     1      -6.311   0.915   0.354  1.00  0.00           O  
HETATM   25  P   UNL     1      -5.327  -0.346   0.165  1.00  0.00           P  
HETATM   26  S   UNL     1      -5.254  -0.811  -1.638  1.00  0.00           S  
HETATM   27  H   UNL     1       5.557  -0.492   1.509  1.00  0.00           H  
HETATM   28  H   UNL     1       0.808   0.428   1.695  1.00  0.00           H  
HETATM   29  H   UNL     1       0.537   0.865  -1.332  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.205   2.394  -0.942  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.861   1.398   1.724  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.429   1.863  -0.200  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.764   0.437  -1.031  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.299  -2.265  -0.716  1.00  0.00           H  
HETATM   35  H   UNL     1       1.493   3.298  -1.717  1.00  0.00           H  
HETATM   36  H   UNL     1       2.524   1.870  -1.975  1.00  0.00           H  
HETATM   37  H   UNL     1       3.836   4.004  -1.789  1.00  0.00           H  
HETATM   38  H   UNL     1       3.221   4.197  -0.130  1.00  0.00           H  
HETATM   39  H   UNL     1       6.115   3.807  -0.921  1.00  0.00           H  
HETATM   40  H   UNL     1       5.500   4.001   0.738  1.00  0.00           H  
HETATM   41  H   UNL     1       6.443   2.556   0.301  1.00  0.00           H  
HETATM   42  H   UNL     1       3.838  -4.726  -1.133  1.00  0.00           H  
HETATM   43  H   UNL     1       5.433  -4.505  -0.652  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.224   3.708   1.053  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.397   1.212   1.271  1.00  0.00           H  
HETATM   46  O   UNL     1      -5.883  -1.592   1.019  1.00  0.00           O  
HETATM   47  H   UNL     1      -6.769  -1.881   0.762  1.00  0.00           H  
CONECT    1   14   14   15   27                                       
CONECT    2    7   18   15   15                                       
CONECT    3   18   21    4   28                                       
CONECT    4    5    3   19   29                                       
CONECT    5    6   20    4   30                                       
CONECT    6    8   21    5   31                                       
CONECT    7   17    9    9    2                                       
CONECT    8   22    6   32   33                                       
CONECT    9   16    7    7   14                                       
CONECT   10   17   17   18   34                                       
CONECT   11   19   12   35   36                                       
CONECT   12   11   23   37   38                                       
CONECT   13   23   39   40   41                                       
CONECT   14    9    1    1                                            
CONECT   15    2    2    1                                            
CONECT   16    9   42   43                                            
CONECT   17   10   10    7                                            
CONECT   18   10    2    3                                            
CONECT   19    4   11                                                 
CONECT   20    5   44                                                 
CONECT   21    6    3                                                 
CONECT   22   25    8                                                 
CONECT   23   12   13                                                 
CONECT   24   25   45                                                 
CONECT   25   26   26   24   22                                       
CONECT   25   46                                                      
CONECT   26   25   25                                                 
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   20                                                      
CONECT   45   24                                                      
CONECT   46   25   47                                                 
CONECT   47   46                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
