COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.640   1.181   0.028  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.867   0.044   0.213  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.485  -1.204   0.193  1.00  0.00           C  
HETATM    4  C   UNL     1       3.190  -1.619  -0.611  1.00  0.00           C  
HETATM    5  C   UNL     1       1.890  -2.080  -0.663  1.00  0.00           C  
HETATM    6  C   UNL     1       3.720  -1.169   0.591  1.00  0.00           C  
HETATM    7  C   UNL     1       0.410   2.547   0.252  1.00  0.00           C  
HETATM    8  C   UNL     1       0.814   4.023   0.226  1.00  0.00           C  
HETATM    9  C   UNL     1       5.567  -0.044  -0.406  1.00  0.00           C  
HETATM   10  C   UNL     1       7.022   0.348  -0.399  1.00  0.00           C  
HETATM   11  C   UNL     1       7.358   1.083  -1.698  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.865  -1.257  -0.013  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.565  -0.082  -0.189  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.949   1.087  -0.160  1.00  0.00           N  
HETATM   15  S   UNL     1      -0.549  -2.679   0.423  1.00  0.00           S  
HETATM   16  C   UNL     1       1.110  -2.089   0.487  1.00  0.00           C  
HETATM   17  C   UNL     1       1.640  -1.633   1.689  1.00  0.00           C  
HETATM   18  C   UNL     1       2.941  -1.178   1.740  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.036   2.434   0.045  1.00  0.00           N  
HETATM   20 BR   UNL     1      -5.434  -0.144  -0.469  1.00  0.00          Br  
HETATM   21  O   UNL     1       0.219   4.699   1.336  1.00  0.00           O  
HETATM   22  N   UNL     1       5.042  -0.706   0.643  1.00  0.00           N  
HETATM   23  O   UNL     1       4.867   0.238  -1.357  1.00  0.00           O  
HETATM   24  H   UNL     1       0.199   0.125   0.370  1.00  0.00           H  
HETATM   25  H   UNL     1       3.796  -1.612  -1.505  1.00  0.00           H  
HETATM   26  H   UNL     1       1.479  -2.434  -1.596  1.00  0.00           H  
HETATM   27  H   UNL     1       0.933   2.014  -0.542  1.00  0.00           H  
HETATM   28  H   UNL     1       0.674   2.115   1.216  1.00  0.00           H  
HETATM   29  H   UNL     1       1.899   4.103   0.291  1.00  0.00           H  
HETATM   30  H   UNL     1       0.471   4.478  -0.703  1.00  0.00           H  
HETATM   31  H   UNL     1       7.218   1.003   0.450  1.00  0.00           H  
HETATM   32  H   UNL     1       7.639  -0.547  -0.318  1.00  0.00           H  
HETATM   33  H   UNL     1       7.162   0.429  -2.547  1.00  0.00           H  
HETATM   34  H   UNL     1       6.741   1.978  -1.779  1.00  0.00           H  
HETATM   35  H   UNL     1       8.411   1.367  -1.693  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.379  -2.207  -0.035  1.00  0.00           H  
HETATM   37  H   UNL     1       1.034  -1.640   2.583  1.00  0.00           H  
HETATM   38  H   UNL     1       3.353  -0.823   2.674  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.573   3.232  -0.080  1.00  0.00           H  
HETATM   40  H   UNL     1       0.433   5.641   1.384  1.00  0.00           H  
HETATM   41  H   UNL     1       5.579  -0.863   1.436  1.00  0.00           H  
CONECT    1    2   19   14   14                                       
CONECT    2    3    3    1   24                                       
CONECT    3   15    2    2   12                                       
CONECT    4    6    6    5   25                                       
CONECT    5   16   16    4   26                                       
CONECT    6   18   22    4    4                                       
CONECT    7   19    8   27   28                                       
CONECT    8    7   21   29   30                                       
CONECT    9   23   23   10   22                                       
CONECT   10   11    9   31   32                                       
CONECT   11   10   33   34   35                                       
CONECT   12    3   13   13   36                                       
CONECT   13   12   12   14   20                                       
CONECT   14    1    1   13                                            
CONECT   15   16    3                                                 
CONECT   16   17   15    5    5                                       
CONECT   17   18   18   16   37                                       
CONECT   18   17   17    6   38                                       
CONECT   19    1    7   39                                            
CONECT   20   13                                                      
CONECT   21    8   40                                                 
CONECT   22    9    6   41                                            
CONECT   23    9    9                                                 
CONECT   24    2                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
