COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.335  -1.282  -0.850  1.00  0.00           C  
HETATM    2  C   UNL     1       0.064   3.760   0.466  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.700  -1.056  -0.808  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.495  -0.258  -0.010  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.329   1.115  -0.018  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.367   1.693  -0.826  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.568   0.901  -1.626  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.728  -0.479  -1.617  1.00  0.00           C  
HETATM    9  C   UNL     1       3.300  -1.679   1.714  1.00  0.00           C  
HETATM   10  C   UNL     1       3.390  -0.430   1.125  1.00  0.00           C  
HETATM   11  C   UNL     1       2.902  -0.231  -0.155  1.00  0.00           C  
HETATM   12  C   UNL     1       2.249  -2.535  -0.262  1.00  0.00           C  
HETATM   13  C   UNL     1       2.734  -2.732   1.023  1.00  0.00           C  
HETATM   14  F   UNL     1      -4.216  -1.955  -0.171  1.00  0.00           F  
HETATM   15  F   UNL     1      -2.697  -2.129   1.516  1.00  0.00           F  
HETATM   16  F   UNL     1      -3.296  -0.065   2.268  1.00  0.00           F  
HETATM   17  F   UNL     1      -4.878  -1.679   1.990  1.00  0.00           F  
HETATM   18  F   UNL     1      -4.815   0.109   0.581  1.00  0.00           F  
HETATM   19  N   UNL     1       0.078  -1.283  -2.425  1.00  0.00           N  
HETATM   20  O   UNL     1       1.895   0.352  -2.767  1.00  0.00           O  
HETATM   21  O   UNL     1       2.256  -2.067  -3.282  1.00  0.00           O  
HETATM   22  O   UNL     1       1.691  -3.570  -0.944  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.434   3.948  -0.453  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.614   3.726  -2.114  1.00  0.00           O  
HETATM   25  S   UNL     1       1.713  -1.027  -2.479  1.00  0.00           S  
HETATM   26  S   UNL     1      -1.161   3.443  -0.833  1.00  0.00           S  
HETATM   27  S   UNL     1      -3.756  -1.010   1.048  1.00  0.00           S  
HETATM   28 BR   UNL     1       4.178   1.006   2.069  1.00  0.00          Br  
HETATM   29  H   UNL     1      -0.318   3.400   1.421  1.00  0.00           H  
HETATM   30  H   UNL     1       0.991   3.240   0.226  1.00  0.00           H  
HETATM   31  H   UNL     1       0.255   4.832   0.532  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.830  -2.128  -0.801  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.953   1.737   0.607  1.00  0.00           H  
HETATM   34  H   UNL     1       0.184   1.354  -2.257  1.00  0.00           H  
HETATM   35  H   UNL     1       3.682  -1.832   2.713  1.00  0.00           H  
HETATM   36  H   UNL     1       2.966   0.746  -0.610  1.00  0.00           H  
HETATM   37  H   UNL     1       2.665  -3.706   1.483  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.320  -1.991  -2.956  1.00  0.00           H  
HETATM   39  H   UNL     1       2.331  -4.124  -1.411  1.00  0.00           H  
CONECT    1   12   12   11   25                                       
CONECT    2   26   29   30   31                                       
CONECT    3    4    4    8   32                                       
CONECT    4    5   27    3    3                                       
CONECT    5    6    6    4   33                                       
CONECT    6   26    5    5    7                                       
CONECT    7    6    8    8   34                                       
CONECT    8    7    7    3   19                                       
CONECT    9   13   13   10   35                                       
CONECT   10    9   28   11   11                                       
CONECT   11   10   10    1   36                                       
CONECT   12   13   22    1    1                                       
CONECT   13    9    9   12   37                                       
CONECT   14   27                                                      
CONECT   15   27                                                      
CONECT   16   27                                                      
CONECT   17   27                                                      
CONECT   18   27                                                      
CONECT   19    8   25   38                                            
CONECT   20   25   25                                                 
CONECT   21   25   25                                                 
CONECT   22   12   39                                                 
CONECT   23   26   26                                                 
CONECT   24   26   26                                                 
CONECT   25   19    1   21   21                                       
CONECT   25   20   20                                                 
CONECT   26    2   24   24   23                                       
CONECT   26   23    6                                                 
CONECT   27   14   18    4   17                                       
CONECT   27   15   16                                                 
CONECT   28   10                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   19                                                      
CONECT   39   22                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
