COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.332  -0.076   0.168  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.379   0.037   1.169  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.045   0.171   0.843  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.652   0.192  -0.498  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.614   0.078  -1.506  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.948  -0.056  -1.171  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.422  -0.139  -3.500  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.228   0.335  -0.850  1.00  0.00           C  
HETATM    9  C   UNL     1       2.704   1.742  -0.459  1.00  0.00           C  
HETATM   10 BR   UNL     1      -0.748   0.326   2.211  1.00  0.00          Br  
HETATM   11  O   UNL     1      -4.886  -0.168  -2.149  1.00  0.00           O  
HETATM   12  O   UNL     1      -5.645  -0.213   0.495  1.00  0.00           O  
HETATM   13  N   UNL     1       0.664   0.442   0.088  1.00  0.00           N  
HETATM   14  N   UNL     1       2.018   0.578  -0.246  1.00  0.00           N  
HETATM   15  C   UNL     1       2.936  -0.433  -0.428  1.00  0.00           C  
HETATM   16  N   UNL     1       4.081   0.137  -0.729  1.00  0.00           N  
HETATM   17  N   UNL     1       3.945   1.415  -0.748  1.00  0.00           N  
HETATM   18  S   UNL     1       2.047   3.374  -0.372  1.00  0.00           S  
HETATM   19  C   UNL     1       3.529   4.332  -0.776  1.00  0.00           C  
HETATM   20  C   UNL     1       2.682  -1.884  -0.308  1.00  0.00           C  
HETATM   21  C   UNL     1       1.517  -2.342   0.309  1.00  0.00           C  
HETATM   22  C   UNL     1       1.283  -3.698   0.412  1.00  0.00           C  
HETATM   23  C   UNL     1       2.200  -4.602  -0.093  1.00  0.00           C  
HETATM   24  C   UNL     1       3.357  -4.154  -0.706  1.00  0.00           C  
HETATM   25  C   UNL     1       3.603  -2.801  -0.817  1.00  0.00           C  
HETATM   26  H   UNL     1      -3.681   0.022   2.206  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.315   0.094  -2.544  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.913   0.806  -3.690  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.728  -0.964  -3.664  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.269  -0.237  -4.179  1.00  0.00           H  
HETATM   31  H   UNL     1       0.074   0.351  -1.886  1.00  0.00           H  
HETATM   32  H   UNL     1       3.289   5.395  -0.765  1.00  0.00           H  
HETATM   33  H   UNL     1       4.306   4.127  -0.039  1.00  0.00           H  
HETATM   34  H   UNL     1       3.885   4.050  -1.767  1.00  0.00           H  
HETATM   35  H   UNL     1       0.800  -1.638   0.705  1.00  0.00           H  
HETATM   36  H   UNL     1       0.382  -4.054   0.890  1.00  0.00           H  
HETATM   37  H   UNL     1       2.012  -5.662  -0.009  1.00  0.00           H  
HETATM   38  H   UNL     1       4.069  -4.865  -1.099  1.00  0.00           H  
HETATM   39  H   UNL     1       4.504  -2.453  -1.300  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.118   0.626   0.579  1.00  0.00           H  
CONECT    1   12    6    6    2                                       
CONECT    2    1    3    3   26                                       
CONECT    3    2    2    4   10                                       
CONECT    4    5    5    3    8                                       
CONECT    5    6    4    4   27                                       
CONECT    6   11    1    1    5                                       
CONECT    7   11   28   29   30                                       
CONECT    8    4   13   13   31                                       
CONECT    9   14   17   17   18                                       
CONECT   10    3                                                      
CONECT   11    7    6                                                 
CONECT   12    1   40                                                 
CONECT   13    8    8   14                                            
CONECT   14   13   15    9                                            
CONECT   15   20   14   16   16                                       
CONECT   16   15   15   17                                            
CONECT   17   16    9    9                                            
CONECT   18    9   19                                                 
CONECT   19   18   32   33   34                                       
CONECT   20   21   21   25   15                                       
CONECT   21   22   20   20   35                                       
CONECT   22   23   23   21   36                                       
CONECT   23   22   22   24   37                                       
CONECT   24   23   25   25   38                                       
CONECT   25   24   24   20   39                                       
CONECT   26    2                                                      
CONECT   27    5                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   19                                                      
CONECT   33   19                                                      
CONECT   34   19                                                      
CONECT   35   21                                                      
CONECT   36   22                                                      
CONECT   37   23                                                      
CONECT   38   24                                                      
CONECT   39   25                                                      
CONECT   40   12                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
