COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.175   0.000   5.180  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.233   0.003   4.168  1.00  0.00           C  
HETATM    3  N   UNL     1       0.057   0.009   4.498  1.00  0.00           N  
HETATM    4  C   UNL     1       1.007   0.012   3.578  1.00  0.00           C  
HETATM    5  O   UNL     1       2.312   0.017   3.931  1.00  0.00           O  
HETATM    6  C   UNL     1       0.625   0.009   2.216  1.00  0.00           C  
HETATM    7  N   UNL     1       1.247   0.010   1.050  1.00  0.00           N  
HETATM    8  N   UNL     1       0.364   0.005   0.112  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.833   0.001   0.587  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.767   0.003   1.906  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.650  -0.004   2.918  1.00  0.00           N  
HETATM   12  C   UNL     1       0.668   0.005  -1.254  1.00  0.00           C  
HETATM   13  C   UNL     1       1.994   0.010  -1.671  1.00  0.00           C  
HETATM   14  C   UNL     1       2.300   0.010  -3.019  1.00  0.00           C  
HETATM   15  C   UNL     1       1.290   0.004  -3.960  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.044   0.000  -3.552  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.352  -0.005  -2.191  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.127  -0.006  -4.557  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.826  -0.005  -5.871  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.287  -0.010  -4.200  1.00  0.00           O  
HETATM   21  H   UNL     1      -1.891   0.002   6.108  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.121   0.000   4.963  1.00  0.00           H  
HETATM   23  H   UNL     1       2.586  -0.907   4.004  1.00  0.00           H  
HETATM   24  H   UNL     1       2.788   0.014  -0.939  1.00  0.00           H  
HETATM   25  H   UNL     1       3.332   0.014  -3.337  1.00  0.00           H  
HETATM   26  H   UNL     1       1.533   0.004  -5.013  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.383  -0.009  -1.869  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.535  -0.009  -6.528  1.00  0.00           H  
CONECT    1    2   21   22                                            
CONECT    2    1    3   11   11                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5    6                                       
CONECT    5    4   23                                                 
CONECT    6    4    7    7   10                                       
CONECT    7    6    6    8                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10   10                                            
CONECT   10    6    9    9   11                                       
CONECT   11    2    2   10                                            
CONECT   12    8   13   17   17                                       
CONECT   13   12   14   14   24                                       
CONECT   14   13   13   15   25                                       
CONECT   15   14   16   16   26                                       
CONECT   16   15   15   17   18                                       
CONECT   17   12   12   16   27                                       
CONECT   18   16   19   20   20                                       
CONECT   19   18   28                                                 
CONECT   20   18   18                                                 
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    5                                                      
CONECT   24   13                                                      
CONECT   25   14                                                      
CONECT   26   15                                                      
CONECT   27   17                                                      
CONECT   28   19                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
