COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.582  -0.173  -0.030  1.00  0.00           C  
HETATM    2  C   UNL     1       4.951  -0.025  -0.894  1.00  0.00           C  
HETATM    3  C   UNL     1       4.210  -0.005   0.449  1.00  0.00           C  
HETATM    4  C   UNL     1       6.379  -0.429  -0.460  1.00  0.00           C  
HETATM    5  C   UNL     1       6.501   0.275   0.911  1.00  0.00           C  
HETATM    6  C   UNL     1       4.370  -1.030  -1.871  1.00  0.00           C  
HETATM    7  C   UNL     1       3.905  -2.458   0.390  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.045   1.354  -1.022  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.342   0.883  -0.897  1.00  0.00           C  
HETATM   10  C   UNL     1       0.815   2.584   0.191  1.00  0.00           C  
HETATM   11  C   UNL     1       2.091   3.113   0.171  1.00  0.00           C  
HETATM   12  C   UNL     1       3.190   2.275   0.254  1.00  0.00           C  
HETATM   13  C   UNL     1       3.012   0.905   0.359  1.00  0.00           C  
HETATM   14  C   UNL     1       1.738   0.373   0.380  1.00  0.00           C  
HETATM   15  C   UNL     1       0.635   1.212   0.296  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.657   0.674   0.324  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.641   1.247  -0.398  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.386   2.168  -1.150  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.032   0.755  -0.276  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.525  -0.719   0.684  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.304  -0.252   0.546  1.00  0.00           N  
HETATM   22 BR   UNL     1      -7.332  -0.857   0.181  1.00  0.00          Br  
HETATM   23  O   UNL     1       5.173   0.540   1.380  1.00  0.00           O  
HETATM   24  S   UNL     1       4.588  -2.705  -1.214  1.00  0.00           S  
HETATM   25  N   UNL     1       3.804  -1.305   0.927  1.00  0.00           N  
HETATM   26  N   UNL     1       3.453  -3.553   1.089  1.00  0.00           N  
HETATM   27  F   UNL     1       4.437   2.794   0.233  1.00  0.00           F  
HETATM   28  H   UNL     1       4.947   0.970  -1.338  1.00  0.00           H  
HETATM   29  H   UNL     1       6.464  -1.510  -0.353  1.00  0.00           H  
HETATM   30  H   UNL     1       7.122  -0.048  -1.161  1.00  0.00           H  
HETATM   31  H   UNL     1       7.018  -0.376   1.616  1.00  0.00           H  
HETATM   32  H   UNL     1       7.048   1.211   0.800  1.00  0.00           H  
HETATM   33  H   UNL     1       3.308  -0.830  -2.011  1.00  0.00           H  
HETATM   34  H   UNL     1       4.885  -0.946  -2.828  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.822   2.175  -1.688  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.148   1.328  -1.462  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.042   3.239   0.131  1.00  0.00           H  
HETATM   38  H   UNL     1       2.231   4.181   0.089  1.00  0.00           H  
HETATM   39  H   UNL     1       1.600  -0.695   0.462  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.845  -0.110   0.863  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.708  -1.539   1.363  1.00  0.00           H  
HETATM   42  H   UNL     1       3.514  -4.438   0.697  1.00  0.00           H  
HETATM   43  H   UNL     1       3.072  -3.440   1.974  1.00  0.00           H  
CONECT    1   20    9    9   22                                       
CONECT    2    4    6    3   28                                       
CONECT    3    2   23   13   25                                       
CONECT    4    5    2   29   30                                       
CONECT    5    4   23   31   32                                       
CONECT    6    2   24   33   34                                       
CONECT    7   24   25   25   26                                       
CONECT    8   19   19    9   35                                       
CONECT    9    8    1    1   36                                       
CONECT   10   11   15   15   37                                       
CONECT   11   12   12   10   38                                       
CONECT   12   27   11   11   13                                       
CONECT   13   12    3   14   14                                       
CONECT   14   13   13   15   39                                       
CONECT   15   10   10   14   16                                       
CONECT   16   15   17   40                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   21    8    8                                       
CONECT   20   21   21    1   41                                       
CONECT   21   19   20   20                                            
CONECT   22    1                                                      
CONECT   23    5    3                                                 
CONECT   24    6    7                                                 
CONECT   25    3    7    7                                            
CONECT   26    7   42   43                                            
CONECT   27   12                                                      
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   20                                                      
CONECT   42   26                                                      
CONECT   43   26                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
