COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.560  -0.799  -0.264  1.00  0.00           O  
HETATM    2  C   UNL     1       5.181   0.348  -0.250  1.00  0.00           C  
HETATM    3  OXT UNL     1       6.057   1.341  -0.030  1.00  0.00           O  
HETATM    4  CA  UNL     1       3.727   0.664  -0.485  1.00  0.00           C  
HETATM    5  N   UNL     1       3.083  -0.469  -1.163  1.00  0.00           N  
HETATM    6  C   UNL     1       3.036   0.916   0.857  1.00  0.00           C  
HETATM    7  C   UNL     1       1.614   1.351   0.615  1.00  0.00           C  
HETATM    8  C   UNL     1       0.458   0.476   0.405  1.00  0.00           C  
HETATM    9  C   UNL     1       0.285  -0.909   0.361  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.959  -1.431   0.140  1.00  0.00           C  
HETATM   11 BR   UNL     1      -1.192  -3.307   0.080  1.00  0.00          Br  
HETATM   12  C   UNL     1      -2.053  -0.595  -0.040  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.905   0.775   0.001  1.00  0.00           C  
HETATM   14 BR   UNL     1      -3.405   1.899  -0.245  1.00  0.00          Br  
HETATM   15  C   UNL     1      -0.647   1.327   0.224  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.183   2.621   0.319  1.00  0.00           N  
HETATM   17  C   UNL     1       1.164   2.615   0.558  1.00  0.00           C  
HETATM   18  HXT UNL     1       6.980   1.089   0.112  1.00  0.00           H  
HETATM   19  HA  UNL     1       3.645   1.554  -1.109  1.00  0.00           H  
HETATM   20  H1  UNL     1       3.145  -1.307  -0.604  1.00  0.00           H  
HETATM   21  H2  UNL     1       2.123  -0.257  -1.389  1.00  0.00           H  
HETATM   22  H   UNL     1       3.040  -0.002   1.445  1.00  0.00           H  
HETATM   23  H   UNL     1       3.569   1.697   1.398  1.00  0.00           H  
HETATM   24  H   UNL     1       1.132  -1.565   0.499  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.030  -1.022  -0.213  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.730   3.417   0.233  1.00  0.00           H  
HETATM   27  H   UNL     1       1.777   3.497   0.675  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   18                                                 
CONECT    4    6    5    2   19                                       
CONECT    5    4   20   21                                            
CONECT    6    7    4   22   23                                       
CONECT    7    8   17   17    6                                       
CONECT    8   15   15    9    7                                       
CONECT    9   10   10    8   24                                       
CONECT   10   12   11    9    9                                       
CONECT   11   10                                                      
CONECT   12   13   13   10   25                                       
CONECT   13   14   12   12   15                                       
CONECT   14   13                                                      
CONECT   15   13   16    8    8                                       
CONECT   16   15   17   26                                            
CONECT   17   16    7    7   27                                       
CONECT   18    3                                                      
CONECT   19    4                                                      
CONECT   20    5                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    6                                                      
CONECT   24    9                                                      
CONECT   25   12                                                      
CONECT   26   16                                                      
CONECT   27   17                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
