COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.554  -1.191  -1.457  1.00  0.00           O  
HETATM    2  C   UNL     1       0.064  -0.132  -0.899  1.00  0.00           C  
HETATM    3  C   UNL     1       0.026   0.059   0.559  1.00  0.00           C  
HETATM    4  C   UNL     1       1.026  -0.497   1.371  1.00  0.00           C  
HETATM    5  O   UNL     1       2.035  -1.214   0.814  1.00  0.00           O  
HETATM    6  C   UNL     1       3.073  -0.534   0.271  1.00  0.00           C  
HETATM    7  N   UNL     1       4.016  -1.204  -0.370  1.00  0.00           N  
HETATM    8  C   UNL     1       5.049  -0.571  -0.917  1.00  0.00           C  
HETATM    9  O   UNL     1       6.011  -1.265  -1.572  1.00  0.00           O  
HETATM   10  C   UNL     1       5.855  -2.684  -1.642  1.00  0.00           C  
HETATM   11  C   UNL     1       5.130   0.813  -0.807  1.00  0.00           C  
HETATM   12  C   UNL     1       4.120   1.482  -0.125  1.00  0.00           C  
HETATM   13  O   UNL     1       4.154   2.831   0.002  1.00  0.00           O  
HETATM   14  C   UNL     1       3.072   3.444   0.705  1.00  0.00           C  
HETATM   15  N   UNL     1       3.114   0.783   0.391  1.00  0.00           N  
HETATM   16  C   UNL     1       0.980  -0.311   2.743  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.047   0.419   3.313  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.038   0.971   2.522  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.008   0.802   1.147  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.979   1.349   0.373  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.046   0.579   0.051  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.056  -0.692   0.417  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.088  -1.477   0.123  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.091  -2.778   0.503  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.947  -3.247   1.221  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.163  -0.946  -0.579  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.116   0.394  -0.947  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.142   0.954  -1.633  1.00  0.00           O  
HETATM   29  C   UNL     1      -6.017   2.336  -1.974  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.051   1.118  -0.618  1.00  0.00           N  
HETATM   31  O   UNL     1       0.654   0.666  -1.601  1.00  0.00           O  
HETATM   32  H   UNL     1      -0.501  -1.274  -2.419  1.00  0.00           H  
HETATM   33  H   UNL     1       6.691  -3.115  -2.192  1.00  0.00           H  
HETATM   34  H   UNL     1       5.832  -3.096  -0.633  1.00  0.00           H  
HETATM   35  H   UNL     1       4.922  -2.922  -2.153  1.00  0.00           H  
HETATM   36  H   UNL     1       5.958   1.354  -1.240  1.00  0.00           H  
HETATM   37  H   UNL     1       3.034   3.056   1.723  1.00  0.00           H  
HETATM   38  H   UNL     1       3.223   4.524   0.734  1.00  0.00           H  
HETATM   39  H   UNL     1       2.135   3.222   0.195  1.00  0.00           H  
HETATM   40  H   UNL     1       1.748  -0.738   3.370  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.075   0.559   4.383  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.836   1.539   2.977  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.836  -2.674   2.141  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.078  -4.302   1.464  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.056  -3.124   0.606  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.015  -1.559  -0.832  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.904   2.658  -2.519  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.916   2.927  -1.064  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.135   2.477  -2.599  1.00  0.00           H  
CONECT    1    2   32                                                 
CONECT    2   31   31    1    3                                       
CONECT    3    2    4    4   19                                       
CONECT    4    5    3    3   16                                       
CONECT    5    6    4                                                 
CONECT    6   15    5    7    7                                       
CONECT    7    6    6    8                                            
CONECT    8   11   11    7    9                                       
CONECT    9    8   10                                                 
CONECT   10    9   33   34   35                                       
CONECT   11   12    8    8   36                                       
CONECT   12   13   15   15   11                                       
CONECT   13   14   12                                                 
CONECT   14   13   37   38   39                                       
CONECT   15   12   12    6                                            
CONECT   16    4   17   17   40                                       
CONECT   17   16   16   18   41                                       
CONECT   18   19   19   17   42                                       
CONECT   19    3   20   18   18                                       
CONECT   20   21   19                                                 
CONECT   21   22   22   30   20                                       
CONECT   22   23   21   21                                            
CONECT   23   24   26   26   22                                       
CONECT   24   25   23                                                 
CONECT   25   24   43   44   45                                       
CONECT   26   23   23   27   46                                       
CONECT   27   26   28   30   30                                       
CONECT   28   27   29                                                 
CONECT   29   28   47   48   49                                       
CONECT   30   27   27   21                                            
CONECT   31    2    2                                                 
CONECT   32    1                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
