COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.042   1.795   0.164  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.379  -0.598   0.271  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.297  -0.406   1.291  1.00  0.00           C  
HETATM    4  C   UNL     1       0.742   2.696  -0.591  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.582   0.880   1.755  1.00  0.00           C  
HETATM    6  C   UNL     1       1.479   1.968  -1.473  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.972   1.967   1.202  1.00  0.00           C  
HETATM    8  C   UNL     1       2.428   2.517  -2.446  1.00  0.00           C  
HETATM    9  C   UNL     1       0.256   0.498  -0.301  1.00  0.00           C  
HETATM   10 CL   UNL     1      -7.473  -2.149  -1.194  1.00  0.00          Cl  
HETATM   11  C   UNL     1      -5.985  -2.051  -0.305  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.018  -1.131  -0.675  1.00  0.00           C  
HETATM   13 CL   UNL     1      -5.296  -0.077  -2.027  1.00  0.00          Cl  
HETATM   14  C   UNL     1      -3.833  -1.051   0.031  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.769  -2.889   0.775  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.587  -2.814   1.484  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.612  -1.895   1.112  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.102  -1.796   2.015  1.00  0.00           S  
HETATM   19 BR   UNL     1      -1.378   3.703   1.832  1.00  0.00          Br  
HETATM   20  O   UNL     1       3.104   1.690  -3.270  1.00  0.00           O  
HETATM   21  O   UNL     1       2.606   3.718  -2.510  1.00  0.00           O  
HETATM   22  N   UNL     1       1.190   0.625  -1.303  1.00  0.00           N  
HETATM   23  C   UNL     1       1.780  -0.479  -2.065  1.00  0.00           C  
HETATM   24  C   UNL     1       3.025  -0.961  -1.368  1.00  0.00           C  
HETATM   25  C   UNL     1       2.939  -1.966  -0.421  1.00  0.00           C  
HETATM   26  C   UNL     1       4.076  -2.413   0.221  1.00  0.00           C  
HETATM   27  C   UNL     1       4.251  -0.402  -1.681  1.00  0.00           C  
HETATM   28  C   UNL     1       5.395  -0.839  -1.047  1.00  0.00           C  
HETATM   29  C   UNL     1       5.315  -1.849  -0.087  1.00  0.00           C  
HETATM   30  C   UNL     1       6.537  -2.323   0.597  1.00  0.00           C  
HETATM   31  O   UNL     1       6.699  -3.511   0.797  1.00  0.00           O  
HETATM   32  N   UNL     1       7.471  -1.438   0.998  1.00  0.00           N  
HETATM   33  C   UNL     1       8.634  -1.896   1.762  1.00  0.00           C  
HETATM   34  C   UNL     1       7.323  -0.018   0.669  1.00  0.00           C  
HETATM   35  H   UNL     1      -0.157  -1.596  -0.078  1.00  0.00           H  
HETATM   36  H   UNL     1       0.753   3.771  -0.488  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.300   1.016   2.550  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.079  -0.333  -0.257  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.526  -3.603   1.064  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.419  -3.468   2.326  1.00  0.00           H  
HETATM   41  H   UNL     1       3.719   2.099  -3.895  1.00  0.00           H  
HETATM   42  H   UNL     1       1.062  -1.296  -2.135  1.00  0.00           H  
HETATM   43  H   UNL     1       2.035  -0.133  -3.067  1.00  0.00           H  
HETATM   44  H   UNL     1       1.980  -2.402  -0.183  1.00  0.00           H  
HETATM   45  H   UNL     1       4.007  -3.197   0.960  1.00  0.00           H  
HETATM   46  H   UNL     1       4.312   0.379  -2.425  1.00  0.00           H  
HETATM   47  H   UNL     1       6.352  -0.402  -1.293  1.00  0.00           H  
HETATM   48  H   UNL     1       9.439  -2.158   1.076  1.00  0.00           H  
HETATM   49  H   UNL     1       8.968  -1.099   2.427  1.00  0.00           H  
HETATM   50  H   UNL     1       8.359  -2.770   2.352  1.00  0.00           H  
HETATM   51  H   UNL     1       7.722   0.168  -0.328  1.00  0.00           H  
HETATM   52  H   UNL     1       6.268   0.253   0.694  1.00  0.00           H  
HETATM   53  H   UNL     1       7.870   0.582   1.396  1.00  0.00           H  
CONECT    1    7    4    9    9                                       
CONECT    2    3    3    9   35                                       
CONECT    3    5    2    2   18                                       
CONECT    4    1    6    6   36                                       
CONECT    5    7    7    3   37                                       
CONECT    6    4    4    8   22                                       
CONECT    7   19    5    5    1                                       
CONECT    8   21   21    6   20                                       
CONECT    9    1    1   22    2                                       
CONECT   10   11                                                      
CONECT   11   12   12   15   10                                       
CONECT   12   14   13   11   11                                       
CONECT   13   12                                                      
CONECT   14   17   17   12   38                                       
CONECT   15   16   16   11   39                                       
CONECT   16   17   15   15   40                                       
CONECT   17   18   14   14   16                                       
CONECT   18    3   17                                                 
CONECT   19    7                                                      
CONECT   20    8   41                                                 
CONECT   21    8    8                                                 
CONECT   22    6    9   23                                            
CONECT   23   22   24   42   43                                       
CONECT   24   23   27   27   25                                       
CONECT   25   24   26   26   44                                       
CONECT   26   25   25   29   45                                       
CONECT   27   24   24   28   46                                       
CONECT   28   27   29   29   47                                       
CONECT   29   28   28   26   30                                       
CONECT   30   29   32   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   34   33   30                                            
CONECT   33   32   48   49   50                                       
CONECT   34   32   51   52   53                                       
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   20                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   33                                                      
CONECT   49   33                                                      
CONECT   50   33                                                      
CONECT   51   34                                                      
CONECT   52   34                                                      
CONECT   53   34                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
