COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.884  -0.231  -0.881  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.719  -0.598  -1.944  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.321  -2.843   0.665  1.00  0.00           C  
HETATM    4  C   UNL     1       3.027  -0.092  -1.339  1.00  0.00           C  
HETATM    5  C   UNL     1       2.787  -0.794  -0.172  1.00  0.00           C  
HETATM    6  C   UNL     1       1.996  -0.242   0.820  1.00  0.00           C  
HETATM    7  C   UNL     1       1.444   1.013   0.647  1.00  0.00           C  
HETATM    8  C   UNL     1       1.684   1.720  -0.523  1.00  0.00           C  
HETATM    9  C   UNL     1       2.482   1.166  -1.514  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.027   0.728   0.307  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.820   0.736   0.916  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.368  -1.337   0.639  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.842  -0.497   0.219  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.604  -1.094  -0.481  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.243  -0.675  -2.213  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.089   1.876   1.287  1.00  0.00           N  
HETATM   17  N   UNL     1      -3.374  -0.591   0.136  1.00  0.00           N  
HETATM   18  N   UNL     1      -1.443  -0.540   1.104  1.00  0.00           N  
HETATM   19  O   UNL     1       1.142   2.955  -0.695  1.00  0.00           O  
HETATM   20  O   UNL     1       0.349   0.741   2.941  1.00  0.00           O  
HETATM   21  O   UNL     1       0.923   3.033   2.125  1.00  0.00           O  
HETATM   22  S   UNL     1       0.437   1.715   1.910  1.00  0.00           S  
HETATM   23 BR   UNL     1       3.539  -2.512   0.069  1.00  0.00          Br  
HETATM   24 CL   UNL     1       2.785   2.048  -2.979  1.00  0.00          Cl  
HETATM   25  H   UNL     1      -7.786  -0.812  -0.690  1.00  0.00           H  
HETATM   26  H   UNL     1      -7.125   0.831  -0.919  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.362   0.428  -2.033  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.174  -1.257  -2.619  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.851  -3.208  -0.248  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.744  -3.174   1.528  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.335  -3.237   0.734  1.00  0.00           H  
HETATM   32  H   UNL     1       3.645  -0.525  -2.112  1.00  0.00           H  
HETATM   33  H   UNL     1       1.809  -0.792   1.730  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.608   1.590   0.016  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.577   0.436   0.716  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.239  -1.207   0.946  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.633  -2.183  -0.444  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.537  -1.696  -2.455  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.523   0.005  -3.017  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.479   2.758   1.179  1.00  0.00           H  
HETATM   41  H   UNL     1       1.732   3.681  -0.451  1.00  0.00           H  
CONECT    1   15   13   25   26                                       
CONECT    2   14   15   27   28                                       
CONECT    3   12   29   30   31                                       
CONECT    4    9    5    5   32                                       
CONECT    5    4    4    6   23                                       
CONECT    6    7    7    5   33                                       
CONECT    7    8   22    6    6                                       
CONECT    8   19    9    9    7                                       
CONECT    9   24    8    8    4                                       
CONECT   10   11   11   17   34                                       
CONECT   11   18   16   10   10                                       
CONECT   12    3   18   18   17                                       
CONECT   13   14    1   35   36                                       
CONECT   14   17    2   13   37                                       
CONECT   15    2    1   38   39                                       
CONECT   16   11   22   40                                            
CONECT   17   12   10   14                                            
CONECT   18   12   12   11                                            
CONECT   19    8   41                                                 
CONECT   20   22   22                                                 
CONECT   21   22   22                                                 
CONECT   22   16    7   21   21                                       
CONECT   22   20   20                                                 
CONECT   23    5                                                      
CONECT   24    9                                                      
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34   10                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   19                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
