COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.335   0.249   0.578  1.00  0.00           N  
HETATM    2  N   UNL     1      -0.829   0.902  -0.415  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.965  -0.846   0.375  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.634  -0.478   0.402  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.389   0.789  -1.326  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.058   1.158  -1.307  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.176   0.527  -0.440  1.00  0.00           C  
HETATM    8  C   UNL     1       0.717  -2.274   0.052  1.00  0.00           C  
HETATM    9  C   UNL     1       4.010   1.200   0.268  1.00  0.00           C  
HETATM   10  C   UNL     1       6.330   0.680  -0.489  1.00  0.00           C  
HETATM   11  C   UNL     1       4.617   3.910   0.370  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.431   1.696   0.373  1.00  0.00           C  
HETATM   13  C   UNL     1       2.046  -1.915   0.177  1.00  0.00           C  
HETATM   14  C   UNL     1       2.381  -0.562   0.093  1.00  0.00           C  
HETATM   15  C   UNL     1       5.297   1.645  -0.075  1.00  0.00           C  
HETATM   16  C   UNL     1       5.591   3.012  -0.019  1.00  0.00           C  
HETATM   17  C   UNL     1       3.350   3.465   0.706  1.00  0.00           C  
HETATM   18  C   UNL     1       3.045   2.119   0.657  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.460   2.251   1.267  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.841  -0.215  -0.489  1.00  0.00           C  
HETATM   21  C   UNL     1       0.153  -0.054  -0.211  1.00  0.00           C  
HETATM   22  F   UNL     1       6.826   3.452  -0.347  1.00  0.00           F  
HETATM   23  N   UNL     1      -9.255   2.679   1.957  1.00  0.00           N  
HETATM   24  N   UNL     1      -0.194  -1.330  -0.141  1.00  0.00           N  
HETATM   25  N   UNL     1       3.702  -0.155   0.212  1.00  0.00           N  
HETATM   26  N   UNL     1       7.138   0.121   0.433  1.00  0.00           N  
HETATM   27  N   UNL     1       1.416   0.331  -0.102  1.00  0.00           N  
HETATM   28  O   UNL     1      -6.589  -2.024  -0.031  1.00  0.00           O  
HETATM   29  O   UNL     1       6.452   0.388  -1.663  1.00  0.00           O  
HETATM   30  O   UNL     1      -7.031  -0.319  -1.804  1.00  0.00           O  
HETATM   31  S   UNL     1      -6.536  -0.693  -0.526  1.00  0.00           S  
HETATM   32 BR   UNL     1       3.379  -3.227   0.454  1.00  0.00          Br  
HETATM   33  H   UNL     1      -7.735  -0.158   1.363  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.582   1.832  -0.540  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.321  -1.630   1.027  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.951  -0.970   1.078  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.075   1.280  -2.000  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.704   1.937  -1.967  1.00  0.00           H  
HETATM   39  H   UNL     1       0.424  -3.312   0.108  1.00  0.00           H  
HETATM   40  H   UNL     1       4.845   4.965   0.412  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.470   2.159   0.594  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.702   1.899  -0.663  1.00  0.00           H  
HETATM   43  H   UNL     1       2.595   4.175   1.009  1.00  0.00           H  
HETATM   44  H   UNL     1       2.054   1.781   0.921  1.00  0.00           H  
HETATM   45  H   UNL     1       4.411  -0.816   0.256  1.00  0.00           H  
HETATM   46  H   UNL     1       7.041   0.354   1.369  1.00  0.00           H  
HETATM   47  H   UNL     1       7.819  -0.515   0.159  1.00  0.00           H  
CONECT    1   31   12   33                                            
CONECT    2   21    7   34                                            
CONECT    3    4   20   20   35                                       
CONECT    4    7    7    3   36                                       
CONECT    5    6    6   20   37                                       
CONECT    6    7    5    5   38                                       
CONECT    7    2    4    4    6                                       
CONECT    8   13   13   24   39                                       
CONECT    9   25   15   15   18                                       
CONECT   10   26   29   29   15                                       
CONECT   11   16   16   17   40                                       
CONECT   12    1   19   41   42                                       
CONECT   13   32    8    8   14                                       
CONECT   14   13   25   27   27                                       
CONECT   15   10    9    9   16                                       
CONECT   16   15   22   11   11                                       
CONECT   17   18   18   11   43                                       
CONECT   18    9   17   17   44                                       
CONECT   19   12   23   23   23                                       
CONECT   20    3    3    5   31                                       
CONECT   21   24   24   27    2                                       
CONECT   22   16                                                      
CONECT   23   19   19   19                                            
CONECT   24    8   21   21                                            
CONECT   25   14    9   45                                            
CONECT   26   10   46   47                                            
CONECT   27   14   14   21                                            
CONECT   28   31   31                                                 
CONECT   29   10   10                                                 
CONECT   30   31   31                                                 
CONECT   31   20   30   30    1                                       
CONECT   31   28   28                                                 
CONECT   32   13                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
