COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.499   0.888   0.332  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.263   0.361   0.105  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.575  -0.892  -0.412  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.903  -1.250  -0.554  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.879  -0.339  -0.174  1.00  0.00           C  
HETATM    6  C   UNL     1       0.135  -0.191  -0.134  1.00  0.00           C  
HETATM    7  C   UNL     1       1.495   0.459   0.129  1.00  0.00           C  
HETATM    8  OXT UNL     1       4.373   1.019  -1.087  1.00  0.00           O  
HETATM    9  CA  UNL     1       2.609  -0.507  -0.276  1.00  0.00           C  
HETATM   10  C   UNL     1       3.944   0.177  -0.132  1.00  0.00           C  
HETATM   11  N   UNL     1       2.571  -1.691   0.593  1.00  0.00           N  
HETATM   12  N   UNL     1      -3.223   1.202   0.457  1.00  0.00           N  
HETATM   13  N   UNL     1      -0.932   0.734   0.254  1.00  0.00           N  
HETATM   14  O   UNL     1       4.629  -0.031   0.841  1.00  0.00           O  
HETATM   15  H   UNL     1      -5.255   1.601   0.625  1.00  0.00           H  
HETATM   16  H   UNL     1      -1.790  -1.577  -0.699  1.00  0.00           H  
HETATM   17  H   UNL     1      -4.175  -2.217  -0.952  1.00  0.00           H  
HETATM   18  H   UNL     1      -5.926  -0.588  -0.272  1.00  0.00           H  
HETATM   19  H   UNL     1       0.044  -0.427  -1.194  1.00  0.00           H  
HETATM   20  H   UNL     1       0.052  -1.108   0.450  1.00  0.00           H  
HETATM   21  H   UNL     1       1.578   1.375  -0.455  1.00  0.00           H  
HETATM   22  H   UNL     1       1.586   0.695   1.189  1.00  0.00           H  
HETATM   23  HXT UNL     1       5.236   1.434  -0.951  1.00  0.00           H  
HETATM   24  HA  UNL     1       2.467  -0.812  -1.312  1.00  0.00           H  
HETATM   25  H1  UNL     1       2.701  -1.434   1.560  1.00  0.00           H  
HETATM   26  H2  UNL     1       1.711  -2.204   0.467  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.711   1.607   0.614  1.00  0.00           H  
CONECT    1    5    5   12   15                                       
CONECT    2   12   12    3   13                                       
CONECT    3    4    4    2   16                                       
CONECT    4    5    3    3   17                                       
CONECT    5    1    1    4   18                                       
CONECT    6   13    7   19   20                                       
CONECT    7    6    9   21   22                                       
CONECT    8   10   23                                                 
CONECT    9    7   11   10   24                                       
CONECT   10   14   14    9    8                                       
CONECT   11    9   25   26                                            
CONECT   12    1    2    2                                            
CONECT   13    2    6   27                                            
CONECT   14   10   10                                                 
CONECT   15    1                                                      
CONECT   16    3                                                      
CONECT   17    4                                                      
CONECT   18    5                                                      
CONECT   19    6                                                      
CONECT   20    6                                                      
CONECT   21    7                                                      
CONECT   22    7                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25   11                                                      
CONECT   26   11                                                      
CONECT   27   13                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
