COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1      -4.271   0.923  -0.562  1.00  0.00          Br  
HETATM    2  C   UNL     1      -3.115   0.030   0.753  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.648  -1.342   0.206  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.115  -2.396   1.049  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.125  -1.285   0.227  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.612  -1.739   1.595  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.398  -2.042  -0.865  1.00  0.00           C  
HETATM    8  C   UNL     1       1.114  -1.833  -0.651  1.00  0.00           C  
HETATM    9  C   UNL     1       1.457  -0.350  -0.652  1.00  0.00           C  
HETATM   10  C   UNL     1       0.642   0.416   0.399  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.820   0.227   0.032  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.829   0.869   0.989  1.00  0.00           C  
HETATM   13  C   UNL     1       2.924  -0.121  -0.434  1.00  0.00           C  
HETATM   14  C   UNL     1       3.819  -1.040  -0.965  1.00  0.00           C  
HETATM   15  C   UNL     1       5.178  -0.872  -0.804  1.00  0.00           C  
HETATM   16  C   UNL     1       5.655   0.228  -0.105  1.00  0.00           C  
HETATM   17  O   UNL     1       6.992   0.407   0.055  1.00  0.00           O  
HETATM   18  C   UNL     1       4.762   1.142   0.428  1.00  0.00           C  
HETATM   19  C   UNL     1       3.394   0.970   0.268  1.00  0.00           C  
HETATM   20  C   UNL     1       2.484   1.997   0.888  1.00  0.00           C  
HETATM   21  C   UNL     1       1.057   1.886   0.333  1.00  0.00           C  
HETATM   22  H   UNL     1      -3.652  -0.105   1.692  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.008  -1.485  -0.812  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.079  -2.455   1.108  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.917  -2.771   1.773  1.00  0.00           H  
HETATM   26  H   UNL     1       0.475  -1.674   1.616  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.030  -1.098   2.371  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.637  -3.103  -0.802  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.691  -1.655  -1.841  1.00  0.00           H  
HETATM   30  H   UNL     1       1.405  -2.268   0.305  1.00  0.00           H  
HETATM   31  H   UNL     1       1.662  -2.328  -1.453  1.00  0.00           H  
HETATM   32  H   UNL     1       1.207   0.056  -1.632  1.00  0.00           H  
HETATM   33  H   UNL     1       0.839   0.006   1.389  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.002   0.557  -0.991  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.991   1.916   0.734  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.497   0.770   2.023  1.00  0.00           H  
HETATM   37  H   UNL     1       3.447  -1.896  -1.509  1.00  0.00           H  
HETATM   38  H   UNL     1       5.867  -1.592  -1.219  1.00  0.00           H  
HETATM   39  H   UNL     1       7.352  -0.005   0.852  1.00  0.00           H  
HETATM   40  H   UNL     1       5.134   1.997   0.975  1.00  0.00           H  
HETATM   41  H   UNL     1       2.461   1.849   1.967  1.00  0.00           H  
HETATM   42  H   UNL     1       2.872   2.993   0.673  1.00  0.00           H  
HETATM   43  H   UNL     1       1.036   2.233  -0.700  1.00  0.00           H  
HETATM   44  H   UNL     1       0.379   2.488   0.938  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2   12    3    1   22                                       
CONECT    3    5    2    4   23                                       
CONECT    4    3   24                                                 
CONECT    5   11    7    6    3                                       
CONECT    6    5   25   26   27                                       
CONECT    7    8    5   28   29                                       
CONECT    8    9    7   30   31                                       
CONECT    9   13   10    8   32                                       
CONECT   10   21    9   11   33                                       
CONECT   11   10   12    5   34                                       
CONECT   12   11    2   35   36                                       
CONECT   13   19   19   14    9                                       
CONECT   14   15   15   13   37                                       
CONECT   15   16   14   14   38                                       
CONECT   16   17   18   18   15                                       
CONECT   17   16   39                                                 
CONECT   18   16   16   19   40                                       
CONECT   19   18   20   13   13                                       
CONECT   20   19   21   41   42                                       
CONECT   21   20   10   43   44                                       
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    6                                                      
CONECT   26    6                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
