COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.144   1.827   0.172  1.00  0.00           C  
HETATM    2  CA  UNL     1      -1.082  -0.220  -0.484  1.00  0.00           C  
HETATM    3  C   UNL     1       1.206   0.555   0.101  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.210   0.400   0.624  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.699   1.877   0.687  1.00  0.00           C  
HETATM    6  C   UNL     1       2.260  -0.476   0.147  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.362  -1.667  -0.169  1.00  0.00           C  
HETATM    8  O   UNL     1       0.145   2.503  -0.297  1.00  0.00           O  
HETATM    9  O   UNL     1       3.483  -0.212  -0.354  1.00  0.00           O  
HETATM   10  OXT UNL     1      -0.435  -2.602  -0.431  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.420  -1.986   0.318  1.00  0.00           O  
HETATM   12  N   UNL     1      -2.341   0.541  -0.512  1.00  0.00           N  
HETATM   13  N   UNL     1       1.332   1.741  -0.390  1.00  0.00           N  
HETATM   14  O   UNL     1       2.026  -1.563   0.637  1.00  0.00           O  
HETATM   15  H   UNL     1      -2.836   1.908   1.010  1.00  0.00           H  
HETATM   16  H   UNL     1      -2.315   2.646  -0.526  1.00  0.00           H  
HETATM   17  HA  UNL     1      -0.576  -0.139  -1.446  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.267  -0.135   1.571  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.614   2.330   1.674  1.00  0.00           H  
HETATM   20  H   UNL     1       4.141  -0.919  -0.301  1.00  0.00           H  
HETATM   21  HXT UNL     1      -0.660  -3.517  -0.212  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.090   0.016  -0.086  1.00  0.00           H  
CONECT    1   12    5   15   16                                       
CONECT    2   12    7    4   17                                       
CONECT    3   13   13    4    6                                       
CONECT    4    5    2    3   18                                       
CONECT    5    1    8    4   19                                       
CONECT    6    3   14   14    9                                       
CONECT    7   11   11    2   10                                       
CONECT    8    5   13                                                 
CONECT    9    6   20                                                 
CONECT   10    7   21                                                 
CONECT   11    7    7                                                 
CONECT   12    1    2   22                                            
CONECT   13    8    3    3                                            
CONECT   14    6    6                                                 
CONECT   15    1                                                      
CONECT   16    1                                                      
CONECT   17    2                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    9                                                      
CONECT   21   10                                                      
CONECT   22   12                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
