COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.320  -0.304   3.449  1.00  0.00           C  
HETATM    2  C   UNL     1       2.338  -0.414   2.384  1.00  0.00           C  
HETATM    3  O   UNL     1       3.460  -0.798   2.653  1.00  0.00           O  
HETATM    4  C   UNL     1       1.994  -0.058   0.995  1.00  0.00           C  
HETATM    5  C   UNL     1       2.954   0.523   0.161  1.00  0.00           C  
HETATM    6  C   UNL     1       2.629   0.853  -1.134  1.00  0.00           C  
HETATM    7  C   UNL     1       1.347   0.610  -1.615  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.337   0.570  -3.086  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.753   0.910  -4.494  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.173  -0.034  -5.299  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.590   0.304  -6.707  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.746  -0.431  -7.658  1.00  0.00           N  
HETATM   13  C   UNL     1       0.615   0.097  -7.511  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.202  -0.058  -9.003  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.481  -0.692 -10.195  1.00  0.00           C  
HETATM   16  C   UNL     1       0.387   0.037  -0.788  1.00  0.00           C  
HETATM   17  C   UNL     1       0.706  -0.301   0.507  1.00  0.00           C  
HETATM   18  C   UNL     1       1.591  -0.788   4.731  1.00  0.00           C  
HETATM   19  C   UNL     1       0.636  -0.682   5.720  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.588  -0.099   5.445  1.00  0.00           C  
HETATM   21  O   UNL     1       1.030   0.937  -2.893  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.902  -1.134  -9.836  1.00  0.00           C  
HETATM   23 BR   UNL     1      -1.892   0.040   6.807  1.00  0.00          Br  
HETATM   24  C   UNL     1      -0.863   0.382   4.176  1.00  0.00           C  
HETATM   25  C   UNL     1       0.084   0.288   3.179  1.00  0.00           C  
HETATM   26  H   UNL     1       3.950   0.712   0.533  1.00  0.00           H  
HETATM   27  H   UNL     1       3.370   1.302  -1.779  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.962   1.117  -2.381  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.452  -0.500  -2.921  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.705   1.932  -4.840  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.221  -1.056  -4.953  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.474   1.375  -6.872  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.633   0.024  -6.854  1.00  0.00           H  
HETATM   34  H   UNL     1       1.282  -0.420  -8.201  1.00  0.00           H  
HETATM   35  H   UNL     1       0.617   1.164  -7.737  1.00  0.00           H  
HETATM   36  H   UNL     1       0.958  -0.058  -6.488  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.549   0.969  -9.114  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.355  -0.082 -11.089  1.00  0.00           H  
HETATM   39  H   UNL     1       0.330  -1.386  -9.980  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.607  -0.149  -1.165  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.038  -0.750   1.147  1.00  0.00           H  
HETATM   42  H   UNL     1       2.546  -1.243   4.947  1.00  0.00           H  
HETATM   43  H   UNL     1       0.845  -1.056   6.712  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.024  -2.119  -9.386  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.709  -0.814 -10.495  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.821   0.836   3.967  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.131   0.664   2.190  1.00  0.00           H  
CONECT    1    2   18   18   25                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    5   17                                       
CONECT    5    4    4    6   26                                       
CONECT    6    5    7    7   27                                       
CONECT    7    6    6   16   21                                       
CONECT    8    9   21   28   29                                       
CONECT    9    8   10   10   30                                       
CONECT   10    9    9   11   31                                       
CONECT   11   10   12   32   33                                       
CONECT   12   11   13   14                                            
CONECT   13   12   34   35   36                                       
CONECT   14   12   15   22   37                                       
CONECT   15   14   22   38   39                                       
CONECT   16    7   17   17   40                                       
CONECT   17    4   16   16   41                                       
CONECT   18    1    1   19   42                                       
CONECT   19   18   20   20   43                                       
CONECT   20   19   19   23   24                                       
CONECT   21    7    8                                                 
CONECT   22   14   15   44   45                                       
CONECT   23   20                                                      
CONECT   24   20   25   25   46                                       
CONECT   25    1   24   24   47                                       
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
