COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.957   0.016  -1.738  1.00  0.00           C  
HETATM    2  O   UNL     1       2.293   0.023  -1.989  1.00  0.00           O  
HETATM    3  C   UNL     1       0.488   0.009  -0.418  1.00  0.00           C  
HETATM    4  N   UNL     1       1.337   0.011   0.639  1.00  0.00           N  
HETATM    5  C   UNL     1       0.902   0.006   1.862  1.00  0.00           C  
HETATM    6  C   UNL     1       1.912   0.008   2.980  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.417  -0.007   2.185  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.363  -0.005   1.217  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.549  -0.013   1.491  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.903   0.000  -0.179  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.795  -0.001  -1.250  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.312   0.005  -2.540  1.00  0.00           C  
HETATM   13  C   UNL     1       0.054   0.013  -2.783  1.00  0.00           C  
HETATM   14  H   UNL     1       2.572  -0.900  -2.043  1.00  0.00           H  
HETATM   15  H   UNL     1       2.918   0.015   2.561  1.00  0.00           H  
HETATM   16  H   UNL     1       1.769   0.896   3.597  1.00  0.00           H  
HETATM   17  H   UNL     1       1.779  -0.883   3.592  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.684  -0.012   3.117  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.860  -0.007  -1.069  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.003   0.004  -3.370  1.00  0.00           H  
HETATM   21  H   UNL     1       0.415   0.019  -3.801  1.00  0.00           H  
CONECT    1    2    3   13   13                                       
CONECT    2    1   14                                                 
CONECT    3    1    4   10   10                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4    6    7                                       
CONECT    6    5   15   16   17                                       
CONECT    7    5    8   18                                            
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    3    3    8   11                                       
CONECT   11   10   12   12   19                                       
CONECT   12   11   11   13   20                                       
CONECT   13    1    1   12   21                                       
CONECT   14    2                                                      
CONECT   15    6                                                      
CONECT   16    6                                                      
CONECT   17    6                                                      
CONECT   18    7                                                      
CONECT   19   11                                                      
CONECT   20   12                                                      
CONECT   21   13                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
