COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1       2.804   2.935   0.137  1.00  0.00          Br  
HETATM    2  C   UNL     1       1.633   1.453   0.036  1.00  0.00           C  
HETATM    3  C   UNL     1       2.141   0.174  -0.012  1.00  0.00           C  
HETATM    4 BR   UNL     1       4.012  -0.095   0.017  1.00  0.00          Br  
HETATM    5  C   UNL     1       1.288  -0.921  -0.080  1.00  0.00           C  
HETATM    6 BR   UNL     1       2.006  -2.669  -0.143  1.00  0.00          Br  
HETATM    7  C   UNL     1      -0.080  -0.740  -0.101  1.00  0.00           C  
HETATM    8 BR   UNL     1      -1.232  -2.237  -0.192  1.00  0.00          Br  
HETATM    9  C   UNL     1      -0.609   0.543  -0.054  1.00  0.00           C  
HETATM   10  C   UNL     1       0.249   1.653   0.015  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.537   2.760   0.052  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.789   2.409   0.006  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.892   1.054  -0.058  1.00  0.00           N  
HETATM   14  C1* UNL     1      -3.134   0.279  -0.120  1.00  0.00           C  
HETATM   15  O4* UNL     1      -4.207   1.091  -0.647  1.00  0.00           O  
HETATM   16  C2* UNL     1      -3.596  -0.110   1.302  1.00  0.00           C  
HETATM   17  C3* UNL     1      -5.136   0.000   1.240  1.00  0.00           C  
HETATM   18  O3* UNL     1      -5.740  -1.268   1.505  1.00  0.00           O  
HETATM   19  C4* UNL     1      -5.423   0.444  -0.212  1.00  0.00           C  
HETATM   20  C5* UNL     1      -6.592   1.429  -0.248  1.00  0.00           C  
HETATM   21  O5* UNL     1      -6.868   1.793  -1.602  1.00  0.00           O  
HETATM   22  H   UNL     1      -2.624   3.093   0.022  1.00  0.00           H  
HETATM   23  H1* UNL     1      -2.996  -0.611  -0.733  1.00  0.00           H  
HETATM   24 H2*1 UNL     1      -3.296  -1.132   1.535  1.00  0.00           H  
HETATM   25 H2*2 UNL     1      -3.193   0.585   2.039  1.00  0.00           H  
HETATM   26  H3* UNL     1      -5.495   0.750   1.945  1.00  0.00           H  
HETATM   27  H3* UNL     1      -5.543  -1.622   2.382  1.00  0.00           H  
HETATM   28  H4* UNL     1      -5.636  -0.423  -0.838  1.00  0.00           H  
HETATM   29 H5*1 UNL     1      -7.475   0.961   0.190  1.00  0.00           H  
HETATM   30 H5*2 UNL     1      -6.333   2.321   0.323  1.00  0.00           H  
HETATM   31  H5* UNL     1      -7.600   2.417  -1.700  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    3   10    1                                       
CONECT    3    5    4    2    2                                       
CONECT    4    3                                                      
CONECT    5    6    7    7    3                                       
CONECT    6    5                                                      
CONECT    7    8    5    5    9                                       
CONECT    8    7                                                      
CONECT    9    7   13   10   10                                       
CONECT   10    9    9    2   11                                       
CONECT   11   10   12   12                                            
CONECT   12   13   11   11   22                                       
CONECT   13    9   14   12                                            
CONECT   14   13   15   16   23                                       
CONECT   15   14   19                                                 
CONECT   16   14   17   24   25                                       
CONECT   17   18   16   19   26                                       
CONECT   18   17   27                                                 
CONECT   19   15   17   20   28                                       
CONECT   20   19   21   29   30                                       
CONECT   21   20   31                                                 
CONECT   22   12                                                      
CONECT   23   14                                                      
CONECT   24   16                                                      
CONECT   25   16                                                      
CONECT   26   17                                                      
CONECT   27   18                                                      
CONECT   28   19                                                      
CONECT   29   20                                                      
CONECT   30   20                                                      
CONECT   31   21                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
