COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1       6.246  -2.193  -0.735  1.00  0.00          Br  
HETATM    2  C   UNL     1       5.379  -0.761   0.144  1.00  0.00           C  
HETATM    3  C   UNL     1       6.047   0.440   0.342  1.00  0.00           C  
HETATM    4  C   UNL     1       5.406   1.491   0.988  1.00  0.00           C  
HETATM    5  C   UNL     1       4.105   1.336   1.432  1.00  0.00           C  
HETATM    6  C   UNL     1       3.443   0.138   1.233  1.00  0.00           C  
HETATM    7  C   UNL     1       4.077  -0.906   0.586  1.00  0.00           C  
HETATM    8  C   UNL     1       2.026  -0.027   1.717  1.00  0.00           C  
HETATM    9  C   UNL     1       1.056   0.399   0.613  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.375   0.110   1.056  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.345   0.286  -0.109  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.462   1.769  -0.472  1.00  0.00           C  
HETATM   13  S   UNL     1       0.153   2.365  -1.052  1.00  0.00           S  
HETATM   14  C   UNL     1       1.225   1.895   0.338  1.00  0.00           C  
HETATM   15  O   UNL     1       0.111   3.783  -1.136  1.00  0.00           O  
HETATM   16  O   UNL     1       0.532   1.611  -2.195  1.00  0.00           O  
HETATM   17  N   UNL     1      -2.667  -0.225   0.276  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.440  -0.628  -0.907  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.787  -1.146  -0.474  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.857  -0.278  -0.356  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.092  -0.754   0.041  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.258  -2.098   0.321  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.189  -2.965   0.204  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.955  -2.491  -0.199  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.258   0.192   0.169  1.00  0.00           C  
HETATM   26  F   UNL     1      -8.109   1.242  -0.744  1.00  0.00           F  
HETATM   27  F   UNL     1      -9.447  -0.494  -0.098  1.00  0.00           F  
HETATM   28  C   UNL     1      -8.303   0.756   1.590  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.457  -1.233   1.537  1.00  0.00           O  
HETATM   30  F   UNL     1       6.052   2.661   1.184  1.00  0.00           F  
HETATM   31  N   UNL     1       7.363   0.593  -0.108  1.00  0.00           N  
HETATM   32  H   UNL     1       3.606   2.151   1.934  1.00  0.00           H  
HETATM   33  H   UNL     1       3.555  -1.839   0.428  1.00  0.00           H  
HETATM   34  H   UNL     1       1.849  -1.071   1.973  1.00  0.00           H  
HETATM   35  H   UNL     1       1.868   0.595   2.598  1.00  0.00           H  
HETATM   36  H   UNL     1       1.274  -0.163  -0.296  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.648   0.796   1.857  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.979  -0.269  -0.972  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.202   1.892  -1.262  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.766   2.337   0.407  1.00  0.00           H  
HETATM   41  H   UNL     1       0.944   2.464   1.224  1.00  0.00           H  
HETATM   42  H   UNL     1       2.264   2.102   0.084  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.172   0.454   0.824  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.575   0.232  -1.563  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.904  -1.412  -1.442  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.727   0.771  -0.575  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.224  -2.469   0.632  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.319  -4.015   0.423  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.120  -3.170  -0.295  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.376   1.291   1.799  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.146   1.441   1.683  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.419  -0.061   2.302  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.339  -1.490   1.837  1.00  0.00           H  
HETATM   54  H   UNL     1       7.810  -0.141  -0.558  1.00  0.00           H  
HETATM   55  H   UNL     1       7.829   1.432   0.031  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    7    7    3                                       
CONECT    3    2   31    4    4                                       
CONECT    4    3    3    5   30                                       
CONECT    5    6    6    4   32                                       
CONECT    6    7    8    5    5                                       
CONECT    7    2    2    6   33                                       
CONECT    8    9    6   34   35                                       
CONECT    9   14   10    8   36                                       
CONECT   10   11    9   29   37                                       
CONECT   11   12   17   10   38                                       
CONECT   12   13   11   39   40                                       
CONECT   13   15   15   12   16                                       
CONECT   13   16   14                                                 
CONECT   14   13    9   41   42                                       
CONECT   15   13   13                                                 
CONECT   16   13   13                                                 
CONECT   17   18   11   43                                            
CONECT   18   17   19   44   45                                       
CONECT   19   18   24   24   20                                       
CONECT   20   19   21   21   46                                       
CONECT   21   20   20   22   25                                       
CONECT   22   23   23   21   47                                       
CONECT   23   24   22   22   48                                       
CONECT   24   19   19   23   49                                       
CONECT   25   21   26   28   27                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25   50   51   52                                       
CONECT   29   10   53                                                 
CONECT   30    4                                                      
CONECT   31    3   54   55                                            
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
