COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.102   1.032  -0.324  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.372   1.548  -0.605  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.484   2.872  -1.011  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.341   3.638  -1.148  1.00  0.00           C  
HETATM    5  C   UNL     1       0.929   3.158  -0.879  1.00  0.00           C  
HETATM    6  C   UNL     1       1.041   1.834  -0.458  1.00  0.00           C  
HETATM    7 BR   UNL     1       2.780   1.111  -0.057  1.00  0.00          Br  
HETATM    8 BR   UNL     1       2.455   4.287  -1.081  1.00  0.00          Br  
HETATM    9 BR   UNL     1       0.060  -0.797   0.253  1.00  0.00          Br  
HETATM   10 BR   UNL     1      -2.957   0.491  -0.475  1.00  0.00          Br  
HETATM   11  C   UNL     1      -0.702   4.957  -1.630  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.058   4.932  -1.796  1.00  0.00           O  
HETATM   13  O   UNL     1       0.048   5.885  -1.857  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.698   3.671  -1.382  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.436   3.047  -2.573  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.627   2.347  -2.371  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.298   1.780  -3.454  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.779   1.912  -4.742  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.590   2.611  -4.947  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.919   3.178  -3.863  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.418   1.366  -5.815  1.00  0.00           O  
HETATM   22  S   UNL     1      -6.789   0.909  -3.172  1.00  0.00           S  
HETATM   23  O   UNL     1      -7.149   1.180  -1.772  1.00  0.00           O  
HETATM   24  O   UNL     1      -6.426  -0.492  -3.430  1.00  0.00           O1-
HETATM   25  O   UNL     1      -7.724   1.491  -4.146  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.635   4.093  -0.245  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.489   3.536   1.026  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.342   3.921   2.061  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.343   4.864   1.825  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.490   5.422   0.556  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.637   5.037  -0.479  1.00  0.00           C  
HETATM   32  O   UNL     1      -6.187   5.254   2.821  1.00  0.00           O  
HETATM   33  S   UNL     1      -4.136   3.207   3.645  1.00  0.00           S  
HETATM   34  O   UNL     1      -2.867   2.466   3.586  1.00  0.00           O  
HETATM   35  O   UNL     1      -5.318   2.346   3.793  1.00  0.00           O1-
HETATM   36  O   UNL     1      -4.102   4.366   4.548  1.00  0.00           O  
HETATM   37  H   UNL     1      -5.029   2.246  -1.365  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.179   2.718  -5.947  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.992   3.720  -4.032  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.229   1.861  -6.009  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.708   2.801   1.207  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.267   6.157   0.365  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.760   5.477  -1.465  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.420   4.496   3.379  1.00  0.00           H  
CONECT    1    2    2    6    9                                       
CONECT    2    1    1    3   10                                       
CONECT    3    2    4    4   14                                       
CONECT    4    3    3    5   11                                       
CONECT    5    4    6    6    8                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6                                                      
CONECT    8    5                                                      
CONECT    9    1                                                      
CONECT   10    2                                                      
CONECT   11    4   12   13   13                                       
CONECT   12   11   14                                                 
CONECT   13   11   11                                                 
CONECT   14    3   12   15   26                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   37                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   21                                       
CONECT   19   18   20   20   38                                       
CONECT   20   15   19   19   39                                       
CONECT   21   18   40                                                 
CONECT   22   17   23   23   24                                       
CONECT   22   25   25                                                 
CONECT   23   22   22                                                 
CONECT   24   22                                                      
CONECT   25   22   22                                                 
CONECT   26   14   27   27   31                                       
CONECT   27   26   26   28   41                                       
CONECT   28   27   29   29   33                                       
CONECT   29   28   28   30   32                                       
CONECT   30   29   31   31   42                                       
CONECT   31   26   30   30   43                                       
CONECT   32   29   44                                                 
CONECT   33   28   34   34   35                                       
CONECT   33   36   36                                                 
CONECT   34   33   33                                                 
CONECT   35   33                                                      
CONECT   36   33   33                                                 
CONECT   37   16                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   27                                                      
CONECT   42   30                                                      
CONECT   43   31                                                      
CONECT   44   32                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
