COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.460   0.790  -1.820  1.00  0.00           C  
HETATM    2  C   UNL     1       4.557   0.581  -0.632  1.00  0.00           C  
HETATM    3  C   UNL     1       3.559   1.495  -0.353  1.00  0.00           C  
HETATM    4  C   UNL     1       4.724  -0.529   0.176  1.00  0.00           C  
HETATM    5 BR   UNL     1       6.085  -1.784  -0.209  1.00  0.00          Br  
HETATM    6  C   UNL     1       3.895  -0.721   1.267  1.00  0.00           C  
HETATM    7  C   UNL     1       2.901   0.197   1.548  1.00  0.00           C  
HETATM    8  C   UNL     1       2.731   1.303   0.737  1.00  0.00           C  
HETATM    9  C   UNL     1       1.643   2.301   1.041  1.00  0.00           C  
HETATM   10  N   UNL     1       0.414   1.909   0.347  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.489   1.079   0.971  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.243   0.615   2.243  1.00  0.00           N  
HETATM   13  C   UNL     1       0.171   2.368  -0.894  1.00  0.00           C  
HETATM   14  O   UNL     1       0.977   3.105  -1.428  1.00  0.00           O  
HETATM   15  N   UNL     1      -0.950   2.024  -1.554  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.859   1.209  -0.984  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.873   0.902  -1.589  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.635   0.719   0.315  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.579  -0.133   0.933  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.136  -1.372   1.578  1.00  0.00           C  
HETATM   21  S   UNL     1      -4.185   0.270   0.930  1.00  0.00           S  
HETATM   22  O   UNL     1      -4.667   0.009   2.241  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.278   1.543   0.306  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.006  -0.868  -0.137  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.514  -2.048   0.371  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.158  -2.940  -0.466  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.294  -2.651  -1.811  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.786  -1.470  -2.319  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.146  -0.576  -1.481  1.00  0.00           C  
HETATM   30  H   UNL     1       6.330   1.373  -1.517  1.00  0.00           H  
HETATM   31  H   UNL     1       5.786  -0.177  -2.204  1.00  0.00           H  
HETATM   32  H   UNL     1       4.918   1.326  -2.599  1.00  0.00           H  
HETATM   33  H   UNL     1       3.426   2.360  -0.986  1.00  0.00           H  
HETATM   34  H   UNL     1       4.024  -1.588   1.898  1.00  0.00           H  
HETATM   35  H   UNL     1       2.253   0.047   2.400  1.00  0.00           H  
HETATM   36  H   UNL     1       1.462   2.325   2.116  1.00  0.00           H  
HETATM   37  H   UNL     1       1.952   3.290   0.703  1.00  0.00           H  
HETATM   38  H   UNL     1       0.523   0.945   2.740  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.835  -0.041   2.644  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.105   2.365  -2.449  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.432  -1.363   2.627  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.595  -2.226   1.078  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.051  -1.451   1.507  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.408  -2.274   1.422  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.753   0.349  -1.877  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.555  -3.863  -0.069  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.796  -3.349  -2.465  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.892  -1.245  -3.370  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2    8    8   33                                       
CONECT    4    2    2    5    6                                       
CONECT    5    4                                                      
CONECT    6    4    7    7   34                                       
CONECT    7    6    6    8   35                                       
CONECT    8    3    3    7    9                                       
CONECT    9    8   10   36   37                                       
CONECT   10    9   11   13                                            
CONECT   11   10   12   18   18                                       
CONECT   12   11   38   39                                            
CONECT   13   10   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   40                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   11   11   16   19                                       
CONECT   19   18   20   21                                            
CONECT   20   19   41   42   43                                       
CONECT   21   19   22   22   23                                       
CONECT   21   23   24                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   25   29   29                                       
CONECT   25   24   26   26   44                                       
CONECT   26   25   25   27   46                                       
CONECT   27   26   28   28   47                                       
CONECT   28   27   27   29   48                                       
CONECT   29   24   24   28   45                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   15                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   25                                                      
CONECT   45   29                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
