COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1       4.433   0.393   0.223  1.00  0.00          Br  
HETATM    2  C   UNL     1       2.629  -0.026  -0.160  1.00  0.00           C  
HETATM    3  C   UNL     1       2.203  -1.342  -0.131  1.00  0.00           C  
HETATM    4  C   UNL     1       0.883  -1.647  -0.406  1.00  0.00           C  
HETATM    5  C   UNL     1       1.734   0.984  -0.464  1.00  0.00           C  
HETATM    6  C   UNL     1       0.415   0.677  -0.744  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.011  -0.637  -0.709  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.450  -0.971  -1.008  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.259  -0.949   0.290  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.802  -1.990   1.154  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.718  -1.161  -0.024  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.564  -0.134   0.019  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.049   1.237   0.137  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.903   2.263   0.327  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.854   1.447   0.064  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.049  -0.378  -0.053  1.00  0.00           C  
HETATM   17  H   UNL     1       2.902  -2.130   0.105  1.00  0.00           H  
HETATM   18  H   UNL     1       0.551  -2.674  -0.384  1.00  0.00           H  
HETATM   19  H   UNL     1       2.064   2.012  -0.482  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.284   1.465  -0.981  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.857  -0.236  -1.703  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.508  -1.963  -1.456  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.130   0.015   0.782  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.932  -2.881   0.800  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.077  -2.145  -0.283  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.517   3.148   0.399  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.445  -0.511   0.954  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.535   0.476  -0.525  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.242  -1.276  -0.641  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    3    5    1                                       
CONECT    3    4    2    2   17                                       
CONECT    4    7    7    3   18                                       
CONECT    5    6    6    2   19                                       
CONECT    6    7    5    5   20                                       
CONECT    7    8    4    4    6                                       
CONECT    8    9    7   21   22                                       
CONECT    9   11   10    8   23                                       
CONECT   10    9   24                                                 
CONECT   11   12   12    9   25                                       
CONECT   12   16   11   11   13                                       
CONECT   13   12   15   15   14                                       
CONECT   14   13   26                                                 
CONECT   15   13   13                                                 
CONECT   16   12   27   28   29                                       
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    8                                                      
CONECT   22    8                                                      
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   14                                                      
CONECT   27   16                                                      
CONECT   28   16                                                      
CONECT   29   16                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
