COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.435   2.834  -0.226  1.00  0.00           C  
HETATM    2  C   UNL     1       3.644  -0.927   0.950  1.00  0.00           C  
HETATM    3  C   UNL     1       1.858  -2.431   0.418  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.295  -1.044   1.640  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.080   0.762   0.546  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.583  -0.273  -0.225  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.982  -2.698  -1.710  1.00  0.00           O  
HETATM    8  S   UNL     1      -1.043  -2.483  -0.665  1.00  0.00           S  
HETATM    9  N   UNL     1       0.338  -1.921  -1.386  1.00  0.00           N  
HETATM   10  C   UNL     1       1.446  -1.586  -0.605  1.00  0.00           C  
HETATM   11  C   UNL     1       2.145  -0.413  -0.858  1.00  0.00           C  
HETATM   12  C   UNL     1       3.242  -0.081  -0.076  1.00  0.00           C  
HETATM   13  N   UNL     1       3.942   1.107  -0.320  1.00  0.00           N  
HETATM   14  C   UNL     1       3.616   2.012  -1.315  1.00  0.00           C  
HETATM   15  C   UNL     1       4.429   3.048  -1.338  1.00  0.00           C  
HETATM   16  C   UNL     1       5.017   1.512   0.386  1.00  0.00           C  
HETATM   17  O   UNL     1       5.541   0.937   1.316  1.00  0.00           O  
HETATM   18  C   UNL     1       2.954  -2.099   1.191  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.687  -1.173   0.321  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.800  -0.016   2.415  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.693   0.887   1.868  1.00  0.00           C  
HETATM   22 BR   UNL     1      -4.301   1.997  -0.202  1.00  0.00          Br  
HETATM   23  O   UNL     1      -0.638  -3.503   0.237  1.00  0.00           O  
HETATM   24  H   UNL     1       6.445   2.766  -0.631  1.00  0.00           H  
HETATM   25  H   UNL     1       5.371   3.634   0.511  1.00  0.00           H  
HETATM   26  H   UNL     1       4.501  -0.671   1.556  1.00  0.00           H  
HETATM   27  H   UNL     1       1.320  -3.348   0.609  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.598  -1.750   2.068  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.892  -0.376  -1.255  1.00  0.00           H  
HETATM   30  H   UNL     1       0.377  -1.825  -2.351  1.00  0.00           H  
HETATM   31  H   UNL     1       1.833   0.241  -1.658  1.00  0.00           H  
HETATM   32  H   UNL     1       2.789   1.882  -1.997  1.00  0.00           H  
HETATM   33  H   UNL     1       4.385   3.887  -2.017  1.00  0.00           H  
HETATM   34  H   UNL     1       3.272  -2.758   1.986  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.497   0.081   3.447  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.080   1.695   2.470  1.00  0.00           H  
CONECT    1   15   16   24   25                                       
CONECT    2   12   18   18   26                                       
CONECT    3   10   10   18   27                                       
CONECT    4   19   20   20   28                                       
CONECT    5    6   22   21   21                                       
CONECT    6   19   19    5   29                                       
CONECT    7    8    8                                                 
CONECT    8    7    7    9   23                                       
CONECT    8   23   19                                                 
CONECT    9   10    8   30                                            
CONECT   10   11    9    3    3                                       
CONECT   11   12   12   10   31                                       
CONECT   12   13   11   11    2                                       
CONECT   13   14   16   12                                            
CONECT   14   15   15   13   32                                       
CONECT   15    1   14   14   33                                       
CONECT   16    1   13   17   17                                       
CONECT   17   16   16                                                 
CONECT   18    2    2    3   34                                       
CONECT   19    8    6    6    4                                       
CONECT   20    4    4   21   35                                       
CONECT   21    5    5   20   36                                       
CONECT   22    5                                                      
CONECT   23    8    8                                                 
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   18                                                      
CONECT   35   20                                                      
CONECT   36   21                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
