COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.355   0.984  -1.079  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.343   4.835   0.089  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.828  -0.706  -0.012  1.00  0.00           C  
HETATM    4  C   UNL     1       0.568  -0.209  -0.007  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.016   1.609   0.030  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.132  -2.001  -0.028  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.986   0.187   0.006  1.00  0.00           C  
HETATM    8  C   UNL     1       1.401  -0.473   1.080  1.00  0.00           C  
HETATM    9  C   UNL     1       2.701  -0.009   1.079  1.00  0.00           C  
HETATM   10  C   UNL     1       3.178   0.718   0.002  1.00  0.00           C  
HETATM   11  C   UNL     1       1.054   0.524  -1.089  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.246   2.269   0.044  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.439   1.508   0.034  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.520   2.072   0.047  1.00  0.00           O  
HETATM   15  N   UNL     1      -4.384   0.168   0.011  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.182  -0.509  -0.003  1.00  0.00           C  
HETATM   17  S   UNL     1      -2.868  -2.242  -0.022  1.00  0.00           S  
HETATM   18 BR   UNL     1       0.141  -3.399  -0.054  1.00  0.00          Br  
HETATM   19  C   UNL     1      -3.300   3.700   0.069  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.863   2.315   0.039  1.00  0.00           O  
HETATM   21 BR   UNL     1       4.959   1.352   0.009  1.00  0.00          Br  
HETATM   22  H   UNL     1       2.731   1.556  -1.915  1.00  0.00           H  
HETATM   23  H   UNL     1       1.030  -1.040   1.921  1.00  0.00           H  
HETATM   24  H   UNL     1       3.346  -0.213   1.920  1.00  0.00           H  
HETATM   25  H   UNL     1       0.414   0.732  -1.933  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.211  -0.339   0.005  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.988   3.273   0.056  1.00  0.00           H  
CONECT    1   11   11   10   22                                       
CONECT    2   19   19   19                                            
CONECT    3    6    6    7    4                                       
CONECT    4   11    3    8    8                                       
CONECT    5    7   12   12   20                                       
CONECT    6   17   18    3    3                                       
CONECT    7   16   16    3    5                                       
CONECT    8    4    4    9   23                                       
CONECT    9   10   10    8   24                                       
CONECT   10    1   21    9    9                                       
CONECT   11    1    1    4   25                                       
CONECT   12   13    5    5   19                                       
CONECT   13   15   14   14   12                                       
CONECT   14   13   13                                                 
CONECT   15   16   13   26                                            
CONECT   16   17   15    7    7                                       
CONECT   17    6   16                                                 
CONECT   18    6                                                      
CONECT   19   12    2    2    2                                       
CONECT   20    5   27                                                 
CONECT   21   10                                                      
CONECT   22    1                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25   11                                                      
CONECT   26   15                                                      
CONECT   27   20                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
