COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.110  -0.477  -1.808  1.00  0.00           C  
HETATM    2  C   UNL     1       3.095  -0.134  -0.457  1.00  0.00           C  
HETATM    3  C   UNL     1       2.306  -0.859   0.432  1.00  0.00           C  
HETATM    4  C   UNL     1       3.919   0.998   0.033  1.00  0.00           C  
HETATM    5  C   UNL     1       4.692   2.255   1.808  1.00  0.00           C  
HETATM    6  C   UNL     1       5.388   2.837  -0.405  1.00  0.00           C  
HETATM    7  C   UNL     1       1.539  -1.918  -0.032  1.00  0.00           C  
HETATM    8  C   UNL     1       1.560  -2.251  -1.381  1.00  0.00           C  
HETATM    9  C   UNL     1       2.344  -1.531  -2.262  1.00  0.00           C  
HETATM   10  C   UNL     1       5.421   3.071   0.962  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.385  -3.647   1.600  1.00  0.00           O  
HETATM   12 BR   UNL     1      -3.939   2.562  -0.212  1.00  0.00          Br  
HETATM   13  C   UNL     1       4.624   1.783  -0.877  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.020   0.921  -0.013  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.488   0.287  -1.122  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.817  -0.912  -0.976  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.677  -1.478   0.278  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.209  -0.845   1.386  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.875   0.357   1.242  1.00  0.00           C  
HETATM   20  N   UNL     1       3.973   1.259   1.332  1.00  0.00           N  
HETATM   21  N   UNL     1       0.746  -2.648   0.857  1.00  0.00           N  
HETATM   22  O   UNL     1      -0.785  -3.605  -0.826  1.00  0.00           O  
HETATM   23  S   UNL     1      -0.822  -3.008   0.463  1.00  0.00           S  
HETATM   24  H   UNL     1       3.718   0.087  -2.501  1.00  0.00           H  
HETATM   25  H   UNL     1       2.291  -0.598   1.480  1.00  0.00           H  
HETATM   26  H   UNL     1       4.712   2.437   2.872  1.00  0.00           H  
HETATM   27  H   UNL     1       5.946   3.463  -1.086  1.00  0.00           H  
HETATM   28  H   UNL     1       0.963  -3.076  -1.741  1.00  0.00           H  
HETATM   29  H   UNL     1       2.354  -1.792  -3.310  1.00  0.00           H  
HETATM   30  H   UNL     1       6.007   3.885   1.362  1.00  0.00           H  
HETATM   31  H   UNL     1       4.576   1.573  -1.935  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.598   0.729  -2.101  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.401  -1.407  -1.841  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.096  -1.286   2.365  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.290   0.852   2.107  1.00  0.00           H  
HETATM   36  H   UNL     1       1.113  -2.944   1.704  1.00  0.00           H  
CONECT    1    2    2    9   24                                       
CONECT    2    4    1    1    3                                       
CONECT    3    2    7    7   25                                       
CONECT    4   20   20   13    2                                       
CONECT    5   10   10   20   26                                       
CONECT    6   10   13   13   27                                       
CONECT    7    3    3    8   21                                       
CONECT    8    9    9    7   28                                       
CONECT    9    1    8    8   29                                       
CONECT   10    5    5    6   30                                       
CONECT   11   23   23                                                 
CONECT   12   14                                                      
CONECT   13    6    6    4   31                                       
CONECT   14   19   12   15   15                                       
CONECT   15   14   14   16   32                                       
CONECT   16   17   17   15   33                                       
CONECT   17   18   23   16   16                                       
CONECT   18   19   19   17   34                                       
CONECT   19   18   18   14   35                                       
CONECT   20    5    4    4                                            
CONECT   21    7   23   36                                            
CONECT   22   23   23                                                 
CONECT   23   22   22   17   11                                       
CONECT   23   11   21                                                 
CONECT   24    1                                                      
CONECT   25    3                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   13                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   21                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
