COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.307  -0.105  -0.749  1.00  0.00           C  
HETATM    2  C   UNL     1       5.080  -0.660  -0.934  1.00  0.00           C  
HETATM    3  O   UNL     1       7.879   2.886   0.469  1.00  0.00           O  
HETATM    4  C   UNL     1       5.289   1.887   0.152  1.00  0.00           C  
HETATM    5  O   UNL     1       8.877   1.080  -0.350  1.00  0.00           O  
HETATM    6  C   UNL     1       7.774   1.772  -0.005  1.00  0.00           C  
HETATM    7  C   UNL     1       6.438   1.178  -0.203  1.00  0.00           C  
HETATM    8  C   UNL     1       3.907   0.035  -0.584  1.00  0.00           C  
HETATM    9  C   UNL     1       4.047   1.315  -0.040  1.00  0.00           C  
HETATM   10  S   UNL     1       2.408   1.899   0.282  1.00  0.00           S  
HETATM   11  C   UNL     1       1.611   0.434  -0.313  1.00  0.00           C  
HETATM   12  N   UNL     1       0.307   0.197  -0.359  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.559   1.123   0.077  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.146   2.184   0.516  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.004   0.861   0.027  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.002   1.719   0.433  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.221   1.070   0.209  1.00  0.00           C  
HETATM   18 BR   UNL     1      -5.939   1.769   0.578  1.00  0.00          Br  
HETATM   19  C   UNL     1      -3.952  -0.149  -0.319  1.00  0.00           C  
HETATM   20 BR   UNL     1      -5.239  -1.443  -0.814  1.00  0.00          Br  
HETATM   21  N   UNL     1      -2.606  -0.285  -0.440  1.00  0.00           N  
HETATM   22  N   UNL     1       2.604  -0.395  -0.712  1.00  0.00           N  
HETATM   23  C   UNL     1       2.301  -1.717  -1.267  1.00  0.00           C  
HETATM   24  C   UNL     1       2.255  -2.731  -0.153  1.00  0.00           C  
HETATM   25  C   UNL     1       3.405  -3.401   0.220  1.00  0.00           C  
HETATM   26  C   UNL     1       3.362  -4.331   1.241  1.00  0.00           C  
HETATM   27  C   UNL     1       2.170  -4.591   1.890  1.00  0.00           C  
HETATM   28  C   UNL     1       1.020  -3.920   1.518  1.00  0.00           C  
HETATM   29  C   UNL     1       1.063  -2.987   0.499  1.00  0.00           C  
HETATM   30  H   UNL     1       7.191  -0.661  -1.021  1.00  0.00           H  
HETATM   31  H   UNL     1       5.004  -1.651  -1.357  1.00  0.00           H  
HETATM   32  H   UNL     1       5.371   2.877   0.574  1.00  0.00           H  
HETATM   33  H   UNL     1       9.730   1.511  -0.202  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.868   2.708   0.846  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.146  -1.062  -0.794  1.00  0.00           H  
HETATM   36  H   UNL     1       1.335  -1.686  -1.771  1.00  0.00           H  
HETATM   37  H   UNL     1       3.075  -1.997  -1.982  1.00  0.00           H  
HETATM   38  H   UNL     1       4.337  -3.198  -0.287  1.00  0.00           H  
HETATM   39  H   UNL     1       4.260  -4.855   1.532  1.00  0.00           H  
HETATM   40  H   UNL     1       2.136  -5.318   2.688  1.00  0.00           H  
HETATM   41  H   UNL     1       0.088  -4.123   2.024  1.00  0.00           H  
HETATM   42  H   UNL     1       0.166  -2.460   0.210  1.00  0.00           H  
CONECT    1    2    2    7   30                                       
CONECT    2    1    1    8   31                                       
CONECT    3    6    6                                                 
CONECT    4    7    7    9   32                                       
CONECT    5    6   33                                                 
CONECT    6    3    3    7    5                                       
CONECT    7    1    6    4    4                                       
CONECT    8    2   22    9    9                                       
CONECT    9    8    8    4   10                                       
CONECT   10    9   11                                                 
CONECT   11   22   10   12   12                                       
CONECT   12   11   11   13                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   21   16   16                                       
CONECT   16   15   15   17   34                                       
CONECT   17   16   19   19   18                                       
CONECT   18   17                                                      
CONECT   19   21   17   17   20                                       
CONECT   20   19                                                      
CONECT   21   15   19   35                                            
CONECT   22   23    8   11                                            
CONECT   23   22   24   36   37                                       
CONECT   24   25   23   29   29                                       
CONECT   25   26   26   24   38                                       
CONECT   26   25   25   27   39                                       
CONECT   27   26   28   28   40                                       
CONECT   28   27   27   29   41                                       
CONECT   29   24   24   28   42                                       
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34   16                                                      
CONECT   35   21                                                      
CONECT   36   23                                                      
CONECT   37   23                                                      
CONECT   38   25                                                      
CONECT   39   26                                                      
CONECT   40   27                                                      
CONECT   41   28                                                      
CONECT   42   29                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
