COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1      -2.915  -1.194  -2.498  1.00  0.00          Br  
HETATM    2  C   UNL     1      -1.194  -0.436  -2.697  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.828   0.150  -3.903  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.708   0.177  -4.937  1.00  0.00           O  
HETATM    5  C   UNL     1       0.436   0.707  -4.054  1.00  0.00           C  
HETATM    6 BR   UNL     1       0.927   1.502  -5.698  1.00  0.00          Br  
HETATM    7  C   UNL     1       1.331   0.681  -3.007  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.302  -0.471  -1.647  1.00  0.00           C  
HETATM    9  C   UNL     1       0.967   0.093  -1.793  1.00  0.00           C  
HETATM   10  C   UNL     1       1.924   0.063  -0.669  1.00  0.00           C  
HETATM   11  O   UNL     1       3.003   0.616  -0.773  1.00  0.00           O  
HETATM   12  C   UNL     1       1.573  -0.635   0.575  1.00  0.00           C  
HETATM   13  C   UNL     1       1.815  -1.940   0.882  1.00  0.00           C  
HETATM   14  C   UNL     1       2.502  -2.930  -0.021  1.00  0.00           C  
HETATM   15  C   UNL     1       3.991  -2.990   0.325  1.00  0.00           C  
HETATM   16  C   UNL     1       0.884  -0.068   1.752  1.00  0.00           C  
HETATM   17  C   UNL     1       0.378   1.186   2.069  1.00  0.00           C  
HETATM   18  C   UNL     1       0.790  -1.122   2.673  1.00  0.00           C  
HETATM   19  O   UNL     1       1.356  -2.210   2.110  1.00  0.00           O  
HETATM   20  C   UNL     1       0.184  -0.897   3.903  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.314   0.351   4.206  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.219   1.391   3.295  1.00  0.00           C  
HETATM   23  S   UNL     1      -1.080   0.628   5.769  1.00  0.00           S  
HETATM   24  O   UNL     1      -1.926   1.756   5.589  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.500  -0.649   6.225  1.00  0.00           O  
HETATM   26  N   UNL     1       0.101   1.116   6.821  1.00  0.00           N  
HETATM   27  C   UNL     1       0.410   2.540   6.967  1.00  0.00           C  
HETATM   28  C   UNL     1       0.838   0.122   7.606  1.00  0.00           C  
HETATM   29  H   UNL     1      -1.565  -0.631  -5.447  1.00  0.00           H  
HETATM   30  H   UNL     1       2.313   1.115  -3.125  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.587  -0.927  -0.710  1.00  0.00           H  
HETATM   32  H   UNL     1       2.384  -2.617  -1.059  1.00  0.00           H  
HETATM   33  H   UNL     1       2.057  -3.916   0.113  1.00  0.00           H  
HETATM   34  H   UNL     1       4.488  -3.706  -0.328  1.00  0.00           H  
HETATM   35  H   UNL     1       4.436  -2.004   0.189  1.00  0.00           H  
HETATM   36  H   UNL     1       4.110  -3.303   1.362  1.00  0.00           H  
HETATM   37  H   UNL     1       0.451   1.997   1.358  1.00  0.00           H  
HETATM   38  H   UNL     1       0.105  -1.699   4.621  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.614   2.365   3.545  1.00  0.00           H  
HETATM   40  H   UNL     1       1.209   2.666   7.698  1.00  0.00           H  
HETATM   41  H   UNL     1       0.730   2.943   6.006  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.478   3.072   7.305  1.00  0.00           H  
HETATM   43  H   UNL     1       0.472  -0.875   7.364  1.00  0.00           H  
HETATM   44  H   UNL     1       1.900   0.187   7.369  1.00  0.00           H  
HETATM   45  H   UNL     1       0.690   0.316   8.668  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    8                                       
CONECT    3    2    2    4    5                                       
CONECT    4    3   29                                                 
CONECT    5    3    6    7    7                                       
CONECT    6    5                                                      
CONECT    7    5    5    9   30                                       
CONECT    8    2    9    9   31                                       
CONECT    9    7    8    8   10                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   13   16                                       
CONECT   13   12   12   14   19                                       
CONECT   14   13   15   32   33                                       
CONECT   15   14   34   35   36                                       
CONECT   16   12   17   17   18                                       
CONECT   17   16   16   22   37                                       
CONECT   18   16   19   20   20                                       
CONECT   19   13   18                                                 
CONECT   20   18   18   21   38                                       
CONECT   21   20   22   22   23                                       
CONECT   22   17   21   21   39                                       
CONECT   23   21   24   24   25                                       
CONECT   23   25   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   27   28                                            
CONECT   27   26   40   41   42                                       
CONECT   28   26   43   44   45                                       
CONECT   29    4                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   20                                                      
CONECT   39   22                                                      
CONECT   40   27                                                      
CONECT   41   27                                                      
CONECT   42   27                                                      
CONECT   43   28                                                      
CONECT   44   28                                                      
CONECT   45   28                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
