COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.672   2.379   0.535  1.00  0.00           N  
HETATM    2  C   UNL     1       5.343   1.238   0.541  1.00  0.00           C  
HETATM    3  C   UNL     1       4.713   0.041   0.214  1.00  0.00           C  
HETATM    4  C   UNL     1       3.371   0.055  -0.121  1.00  0.00           C  
HETATM    5  C   UNL     1       2.698   1.276  -0.117  1.00  0.00           C  
HETATM    6  C   UNL     1       3.391   2.428   0.221  1.00  0.00           C  
HETATM    7  N   UNL     1       6.694   1.236   0.880  1.00  0.00           N  
HETATM    8 BR   UNL     1       5.681  -1.584   0.225  1.00  0.00          Br  
HETATM    9  N   UNL     1       1.339   1.338  -0.449  1.00  0.00           N  
HETATM   10  C   UNL     1       0.549   0.262  -0.261  1.00  0.00           C  
HETATM   11  O   UNL     1       0.990  -0.726   0.295  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.850   0.282  -0.729  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.166  -0.158  -2.019  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.478  -0.137  -2.453  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.481   0.318  -1.617  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.179   0.758  -0.335  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.867   0.736   0.116  1.00  0.00           C  
HETATM   18  F   UNL     1      -1.572   1.158   1.365  1.00  0.00           F  
HETATM   19  F   UNL     1      -0.189  -0.604  -2.840  1.00  0.00           F  
HETATM   20  N   UNL     1      -4.200   1.218   0.505  1.00  0.00           N  
HETATM   21  S   UNL     1      -5.698   0.512   0.451  1.00  0.00           S  
HETATM   22  O   UNL     1      -6.428   1.160   1.484  1.00  0.00           O  
HETATM   23  O   UNL     1      -6.092   0.629  -0.909  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.395  -1.224   0.879  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.719  -1.992   0.864  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.464  -3.456   1.225  1.00  0.00           C  
HETATM   27  H   UNL     1       2.857  -0.859  -0.380  1.00  0.00           H  
HETATM   28  H   UNL     1       2.877   3.378   0.226  1.00  0.00           H  
HETATM   29  H   UNL     1       7.138   2.067   1.109  1.00  0.00           H  
HETATM   30  H   UNL     1       7.191   0.403   0.886  1.00  0.00           H  
HETATM   31  H   UNL     1       0.966   2.155  -0.816  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.720  -0.478  -3.449  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.503   0.332  -1.964  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.031   1.950   1.118  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.712  -1.664   0.153  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.954  -1.282   1.874  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.402  -1.552   1.590  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.160  -1.934  -0.131  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.780  -3.896   0.498  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.022  -3.514   2.220  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.407  -4.003   1.214  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    7    3                                       
CONECT    3    2    8    4    4                                       
CONECT    4    3    3    5   27                                       
CONECT    5    4    6    6    9                                       
CONECT    6    1    5    5   28                                       
CONECT    7    2   29   30                                            
CONECT    8    3                                                      
CONECT    9    5   10   31                                            
CONECT   10    9   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   13   17                                       
CONECT   13   12   12   19   14                                       
CONECT   14   13   15   15   32                                       
CONECT   15   14   14   16   33                                       
CONECT   16   15   17   17   20                                       
CONECT   17   12   16   16   18                                       
CONECT   18   17                                                      
CONECT   19   13                                                      
CONECT   20   16   21   34                                            
CONECT   21   20   23   23   24                                       
CONECT   21   22   22                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   25   35   36                                       
CONECT   25   24   26   37   38                                       
CONECT   26   25   39   40   41                                       
CONECT   27    4                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   20                                                      
CONECT   35   24                                                      
CONECT   36   24                                                      
CONECT   37   25                                                      
CONECT   38   25                                                      
CONECT   39   26                                                      
CONECT   40   26                                                      
CONECT   41   26                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
