COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.340   1.044   0.040  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.574  -0.213   1.739  1.00  0.00           C  
HETATM    3  C   UNL     1       5.090  -0.263  -0.189  1.00  0.00           C  
HETATM    4  C   UNL     1       6.600   1.590   0.569  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.080   0.163  -0.086  1.00  0.00           C  
HETATM    6  C   UNL     1       6.733   2.902   0.754  1.00  0.00           C  
HETATM    7  C   UNL     1       1.647   0.511  -1.404  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.684   0.341  -0.771  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.636   0.199   0.418  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.348  -0.027   0.844  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.184  -0.156   1.928  1.00  0.00           C  
HETATM   12  N   UNL     1       0.702   0.375  -0.287  1.00  0.00           N  
HETATM   13  N   UNL     1      -3.992   0.027   1.053  1.00  0.00           N  
HETATM   14  C   UNL     1       3.056   0.542  -0.870  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.823   0.048  -0.429  1.00  0.00           N  
HETATM   16  C   UNL     1       3.367  -1.929  -1.002  1.00  0.00           C  
HETATM   17  C   UNL     1       3.833  -0.530  -0.688  1.00  0.00           C  
HETATM   18  S   UNL     1       3.927   1.995  -0.400  1.00  0.00           S  
HETATM   19 BR   UNL     1       6.364  -1.620   0.149  1.00  0.00          Br  
HETATM   20  F   UNL     1       7.623   0.759   0.867  1.00  0.00           F  
HETATM   21  O   UNL     1      -8.334  -0.323   2.688  1.00  0.00           O  
HETATM   22  C   UNL     1      -8.090  -0.132   0.359  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.459  -0.182   0.095  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.905  -0.102  -1.205  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.001   0.027  -2.250  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.647   0.078  -2.005  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.175  -0.001  -0.698  1.00  0.00           C  
HETATM   28  H   UNL     1      -3.301   1.087  -0.620  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.210  -0.685  -0.758  1.00  0.00           H  
HETATM   30  H   UNL     1       5.915   3.566   0.516  1.00  0.00           H  
HETATM   31  H   UNL     1       7.658   3.302   1.143  1.00  0.00           H  
HETATM   32  H   UNL     1       1.533  -0.336  -2.081  1.00  0.00           H  
HETATM   33  H   UNL     1       1.442   1.436  -1.942  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.813  -0.507  -1.443  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.905   1.265  -1.305  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.507   1.047   1.091  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.415  -0.726   0.952  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.772  -0.212   2.925  1.00  0.00           H  
HETATM   39  H   UNL     1       0.832   1.113   0.388  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.637  -0.025   1.954  1.00  0.00           H  
HETATM   41  H   UNL     1       3.612  -2.170  -2.036  1.00  0.00           H  
HETATM   42  H   UNL     1       3.865  -2.635  -0.337  1.00  0.00           H  
HETATM   43  H   UNL     1       2.289  -1.993  -0.859  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.165  -0.283   0.907  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.964  -0.141  -1.413  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.363   0.089  -3.266  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.951   0.178  -2.825  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.196   0.139  -1.163  1.00  0.00           H  
CONECT    1   18    3    3    4                                       
CONECT    2   11   21   21   22                                       
CONECT    3   17    1    1   19                                       
CONECT    4    1   20    6    6                                       
CONECT    5    9   13   28   29                                       
CONECT    6    4    4   30   31                                       
CONECT    7   12   14   32   33                                       
CONECT    8    9   12   34   35                                       
CONECT    9    5    8   36   37                                       
CONECT   10   13   11   11   15                                       
CONECT   11   10   10    2   38                                       
CONECT   12    8    7   39                                            
CONECT   13    5   10   40                                            
CONECT   14    7   18   17   17                                       
CONECT   15   27   10   48                                            
CONECT   16   17   41   42   43                                       
CONECT   17   14   14   16    3                                       
CONECT   18   14    1                                                 
CONECT   19    3                                                      
CONECT   20    4                                                      
CONECT   21    2    2                                                 
CONECT   22    2   27   27   23                                       
CONECT   23   22   24   24   44                                       
CONECT   24   23   23   25   45                                       
CONECT   25   26   26   24   46                                       
CONECT   26   27   25   25   47                                       
CONECT   27   15   22   22   26                                       
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   15                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
