COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.954   2.453  -2.252  1.00  0.00           C  
HETATM    2  C   UNL     1       3.647   3.377  -3.181  1.00  0.00           C  
HETATM    3  O   UNL     1       3.456   2.789  -4.460  1.00  0.00           O  
HETATM    4  C   UNL     1       5.139   3.470  -2.846  1.00  0.00           C  
HETATM    5  C   UNL     1       2.584   0.819  -0.738  1.00  0.00           C  
HETATM    6  O   UNL     1       5.340   4.448  -1.831  1.00  0.00           O  
HETATM    7  C   UNL     1       5.749   2.128  -2.389  1.00  0.00           C  
HETATM    8  N   UNL     1       3.575   1.543  -1.399  1.00  0.00           N1+
HETATM    9  O   UNL     1       5.747   1.236  -3.506  1.00  0.00           O  
HETATM   10  C   UNL     1       5.012   1.452  -1.207  1.00  0.00           C  
HETATM   11  C   UNL     1       5.387   2.069   0.142  1.00  0.00           C  
HETATM   12  O   UNL     1       6.778   1.904   0.335  1.00  0.00           O  
HETATM   13  N   UNL     1       1.594   2.269  -2.089  1.00  0.00           N  
HETATM   14  CA  UNL     1       1.387   1.265  -1.162  1.00  0.00           C  
HETATM   15  C   UNL     1       0.079   0.803  -0.744  1.00  0.00           C  
HETATM   16  O   UNL     1       0.202  -0.186   0.174  1.00  0.00           O  
HETATM   17  OXT UNL     1      -0.990   1.240  -1.159  1.00  0.00           O  
HETATM   18  H   UNL     1       3.156   4.355  -3.162  1.00  0.00           H  
HETATM   19  H   UNL     1       0.840   2.748  -2.561  1.00  0.00           H  
HETATM   20  H   UNL     1       4.327   2.753  -4.889  1.00  0.00           H  
HETATM   21  H   UNL     1       5.676   3.812  -3.739  1.00  0.00           H  
HETATM   22  H   UNL     1       6.298   4.557  -1.746  1.00  0.00           H  
HETATM   23  H   UNL     1       6.798   2.280  -2.108  1.00  0.00           H  
HETATM   24  H   UNL     1       2.839   0.056  -0.021  1.00  0.00           H  
HETATM   25  H   UNL     1       5.293   0.392  -1.181  1.00  0.00           H  
HETATM   26  H   UNL     1       4.828   1.176  -3.805  1.00  0.00           H  
HETATM   27  H   UNL     1       4.846   1.563   0.939  1.00  0.00           H  
HETATM   28  H   UNL     1       5.142   3.129   0.141  1.00  0.00           H  
HETATM   29  H   UNL     1       6.994   0.985   0.098  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.666  -0.525   0.482  1.00  0.00           H  
CONECT    1    2    8    8   13                                       
CONECT    2    1    3    4   18                                       
CONECT    3    2   20                                                 
CONECT    4    2    6    7   21                                       
CONECT    5    8   14   14   24                                       
CONECT    6    4   22                                                 
CONECT    7    4    9   10   23                                       
CONECT    8    1    1    5   10                                       
CONECT    9    7   26                                                 
CONECT   10    7    8   11   25                                       
CONECT   11   10   12   27   28                                       
CONECT   12   11   29                                                 
CONECT   13    1   14   19                                            
CONECT   14    5    5   13   15                                       
CONECT   15   14   16   17   17                                       
CONECT   16   15   30                                                 
CONECT   17   15   15                                                 
CONECT   18    2                                                      
CONECT   19   13                                                      
CONECT   20    3                                                      
CONECT   21    4                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    5                                                      
CONECT   25   10                                                      
CONECT   26    9                                                      
CONECT   27   11                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   16                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
