COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.166   0.161   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1       4.845   0.398   0.000  1.00  0.00           C  
HETATM    3  OXT UNL     1       4.435   1.534  -0.005  1.00  0.00           O  
HETATM    4  CA  UNL     1       3.873  -0.754   0.006  1.00  0.00           C  
HETATM    5  N   UNL     1       2.502  -0.236   0.005  1.00  0.00           N  
HETATM    6  C   UNL     1       1.459  -1.090   0.009  1.00  0.00           C  
HETATM    7  O   UNL     1       1.656  -2.290   0.015  1.00  0.00           O  
HETATM    8  CA  UNL     1       0.080  -0.569   0.008  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.121   0.754   0.002  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.316   1.287  -0.001  1.00  0.00           C  
HETATM   11 CL   UNL     1      -1.489   3.015  -0.008  1.00  0.00          Cl  
HETATM   12  C   UNL     1      -2.464   0.468   0.003  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.987  -1.462   0.007  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.772  -2.800   0.008  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.300  -0.941   0.009  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.429  -1.769   0.013  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.673  -1.210   0.009  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.835   0.173   0.003  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.757   1.008   0.000  1.00  0.00           C  
HETATM   20  HXT UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   21  HA1 UNL     1       4.030  -1.367  -0.881  1.00  0.00           H  
HETATM   22  HA2 UNL     1       4.031  -1.359   0.899  1.00  0.00           H  
HETATM   23  H   UNL     1       2.345   0.721   0.000  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.730  -3.077  -0.918  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.315  -2.843   0.019  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.544  -1.848   0.012  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.831   0.591   0.001  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.899   2.078  -0.005  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   20                                                 
CONECT    4    2    5   21   22                                       
CONECT    5    4    6   23                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   13   13                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   12                                       
CONECT   11   10                                                      
CONECT   12   10   15   19   19                                       
CONECT   13    8    8   14   15                                       
CONECT   14   13   24                                                 
CONECT   15   12   13   16   16                                       
CONECT   16   15   15   17   25                                       
CONECT   17   16   18   18   26                                       
CONECT   18   17   17   19   27                                       
CONECT   19   12   12   18   28                                       
CONECT   20    3                                                      
CONECT   21    4                                                      
CONECT   22    4                                                      
CONECT   23    5                                                      
CONECT   24   14                                                      
CONECT   25   16                                                      
CONECT   26   17                                                      
CONECT   27   18                                                      
CONECT   28   19                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
