COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.274   0.585  -0.144  1.00  0.00           C  
HETATM    2  C   UNL     1       0.320   1.970  -0.141  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.862   2.698  -0.049  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.075   2.047   0.034  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.118   0.664   0.026  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.947  -0.063  -0.063  1.00  0.00           C  
HETATM    7  C   UNL     1       1.533  -0.233  -0.227  1.00  0.00           C  
HETATM    8  C   UNL     1       2.696   0.619  -0.728  1.00  0.00           C  
HETATM    9  C   UNL     1       2.701   1.938   0.057  1.00  0.00           C  
HETATM   10  O   UNL     1       1.495   2.644  -0.235  1.00  0.00           O  
HETATM   11  C   UNL     1       1.327  -1.426  -1.131  1.00  0.00           C  
HETATM   12  N   UNL     1       1.527  -2.501  -0.339  1.00  0.00           N  
HETATM   13  C   UNL     1       1.832  -2.109   0.942  1.00  0.00           C  
HETATM   14  N   UNL     1       1.852  -0.817   1.080  1.00  0.00           N  
HETATM   15  O   UNL     1       1.042  -1.419  -2.310  1.00  0.00           O  
HETATM   16  N   UNL     1       2.086  -2.988   1.967  1.00  0.00           N  
HETATM   17  C   UNL     1       1.433  -3.894  -0.784  1.00  0.00           C  
HETATM   18 BR   UNL     1      -3.780  -0.231   0.137  1.00  0.00          Br  
HETATM   19  C   UNL     1       2.774   1.643   1.556  1.00  0.00           C  
HETATM   20  C   UNL     1       3.909   2.780  -0.361  1.00  0.00           C  
HETATM   21  H   UNL     1      -0.829   3.778  -0.042  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.990   2.616   0.105  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.983  -1.143  -0.069  1.00  0.00           H  
HETATM   24  H   UNL     1       3.635   0.091  -0.566  1.00  0.00           H  
HETATM   25  H   UNL     1       2.568   0.825  -1.791  1.00  0.00           H  
HETATM   26  H   UNL     1       2.055  -3.944   1.805  1.00  0.00           H  
HETATM   27  H   UNL     1       2.296  -2.653   2.853  1.00  0.00           H  
HETATM   28  H   UNL     1       2.409  -4.230  -1.135  1.00  0.00           H  
HETATM   29  H   UNL     1       1.111  -4.520   0.048  1.00  0.00           H  
HETATM   30  H   UNL     1       0.710  -3.968  -1.596  1.00  0.00           H  
HETATM   31  H   UNL     1       3.687   1.089   1.774  1.00  0.00           H  
HETATM   32  H   UNL     1       2.778   2.581   2.112  1.00  0.00           H  
HETATM   33  H   UNL     1       1.910   1.049   1.852  1.00  0.00           H  
HETATM   34  H   UNL     1       3.851   2.994  -1.428  1.00  0.00           H  
HETATM   35  H   UNL     1       3.910   3.715   0.198  1.00  0.00           H  
HETATM   36  H   UNL     1       4.826   2.229  -0.150  1.00  0.00           H  
CONECT    1    7    2    2    6                                       
CONECT    2   10    1    1    3                                       
CONECT    3    2    4    4   21                                       
CONECT    4    3    3    5   22                                       
CONECT    5    6    6    4   18                                       
CONECT    6    1    5    5   23                                       
CONECT    7   11    8    1   14                                       
CONECT    8    9    7   24   25                                       
CONECT    9   20    8   10   19                                       
CONECT   10    9    2                                                 
CONECT   11   15   15   12    7                                       
CONECT   12   11   17   13                                            
CONECT   13   12   14   14   16                                       
CONECT   14    7   13   13                                            
CONECT   15   11   11                                                 
CONECT   16   13   26   27                                            
CONECT   17   12   28   29   30                                       
CONECT   18    5                                                      
CONECT   19    9   31   32   33                                       
CONECT   20    9   34   35   36                                       
CONECT   21    3                                                      
CONECT   22    4                                                      
CONECT   23    6                                                      
CONECT   24    8                                                      
CONECT   25    8                                                      
CONECT   26   16                                                      
CONECT   27   16                                                      
CONECT   28   17                                                      
CONECT   29   17                                                      
CONECT   30   17                                                      
CONECT   31   19                                                      
CONECT   32   19                                                      
CONECT   33   19                                                      
CONECT   34   20                                                      
CONECT   35   20                                                      
CONECT   36   20                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
