COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.096  -0.468   0.034  1.00  0.00           N  
HETATM    2  C   UNL     1       0.062  -1.571   0.981  1.00  0.00           C  
HETATM    3  CA  UNL     1       0.935   0.525   0.202  1.00  0.00           C  
HETATM    4  C   UNL     1       0.809   1.636  -0.848  1.00  0.00           C  
HETATM    5  C   UNL     1       2.099   2.389  -1.066  1.00  0.00           C  
HETATM    6  C   UNL     1       2.369   3.511  -0.299  1.00  0.00           C  
HETATM    7  C   UNL     1       3.561   4.207  -0.502  1.00  0.00           C  
HETATM    8 CL   UNL     1       3.891   5.600   0.459  1.00  0.00          Cl  
HETATM    9  C   UNL     1       4.466   3.772  -1.471  1.00  0.00           C  
HETATM   10  O   UNL     1       5.638   4.433  -1.691  1.00  0.00           O  
HETATM   11  C   UNL     1       4.180   2.642  -2.235  1.00  0.00           C  
HETATM   12  C   UNL     1       2.988   1.945  -2.032  1.00  0.00           C  
HETATM   13  C   UNL     1       0.896   1.124   1.601  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.146   1.302   2.222  1.00  0.00           O  
HETATM   15  OXT UNL     1       2.108   1.441   2.117  1.00  0.00           O  
HETATM   16  H   UNL     1      -1.018  -0.045   0.178  1.00  0.00           H  
HETATM   17  H   UNL     1       0.873  -2.229   0.660  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.862  -2.154   1.040  1.00  0.00           H  
HETATM   19  H   UNL     1       0.296  -1.184   1.976  1.00  0.00           H  
HETATM   20  HA  UNL     1       1.889  -0.006   0.109  1.00  0.00           H  
HETATM   21  H   UNL     1       0.491   1.218  -1.812  1.00  0.00           H  
HETATM   22  H   UNL     1       0.013   2.338  -0.562  1.00  0.00           H  
HETATM   23  H   UNL     1       1.659   3.845   0.454  1.00  0.00           H  
HETATM   24  H   UNL     1       5.624   5.295  -1.245  1.00  0.00           H  
HETATM   25  H   UNL     1       4.881   2.297  -2.991  1.00  0.00           H  
HETATM   26  H   UNL     1       2.773   1.066  -2.633  1.00  0.00           H  
HETATM   27  HXT UNL     1       2.084   1.821   3.020  1.00  0.00           H  
CONECT    1    2    3   16                                            
CONECT    2    1   17   18   19                                       
CONECT    3    1    4   13   20                                       
CONECT    4    3    5   21   22                                       
CONECT    5    4    6    6   12                                       
CONECT    6    5    5    7   23                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7                                                      
CONECT    9    7    7   10   11                                       
CONECT   10    9   24                                                 
CONECT   11    9   12   12   25                                       
CONECT   12    5   11   11   26                                       
CONECT   13    3   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   27                                                 
CONECT   16    1                                                      
CONECT   17    2                                                      
CONECT   18    2                                                      
CONECT   19    2                                                      
CONECT   20    3                                                      
CONECT   21    4                                                      
CONECT   22    4                                                      
CONECT   23    6                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   15                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
