COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.994  -0.946  -0.094  1.00  0.00           C  
HETATM    2  C   UNL     1       1.437  -3.207  -0.128  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.239  -0.159  -0.049  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.210   0.955  -0.065  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.763   2.275  -0.143  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.675   3.309  -0.158  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.031   3.042  -0.095  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.483   1.737  -0.018  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.581   0.691  -0.009  1.00  0.00           C  
HETATM   10  C   UNL     1       3.250  -1.782  -0.028  1.00  0.00           C  
HETATM   11  C   UNL     1       2.388  -0.687  -0.037  1.00  0.00           C  
HETATM   12  C   UNL     1       3.096   0.586   0.014  1.00  0.00           C  
HETATM   13  C   UNL     1       4.424   0.463   0.064  1.00  0.00           C  
HETATM   14  C   UNL     1       5.390   1.634   0.124  1.00  0.00           C  
HETATM   15  C   UNL     1       4.652   2.906  -0.298  1.00  0.00           C  
HETATM   16  C   UNL     1       3.346   3.009   0.496  1.00  0.00           C  
HETATM   17  C   UNL     1       2.378   1.930   0.010  1.00  0.00           C  
HETATM   18  N   UNL     1       0.082   0.099  -0.109  1.00  0.00           N  
HETATM   19  N   UNL     1       0.579  -2.203  -0.137  1.00  0.00           N  
HETATM   20  N   UNL     1       2.735  -3.018  -0.075  1.00  0.00           N  
HETATM   21  O   UNL     1      -1.632  -1.307   0.019  1.00  0.00           O  
HETATM   22  S   UNL     1       4.912  -1.223   0.048  1.00  0.00           S  
HETATM   23 BR   UNL     1      -4.200  -1.093   0.097  1.00  0.00          Br  
HETATM   24  H   UNL     1       1.058  -4.218  -0.165  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.705   2.486  -0.191  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.329   4.331  -0.218  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.740   3.856  -0.102  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.543   1.535   0.031  1.00  0.00           H  
HETATM   29  H   UNL     1       5.762   1.748   1.142  1.00  0.00           H  
HETATM   30  H   UNL     1       6.226   1.452  -0.552  1.00  0.00           H  
HETATM   31  H   UNL     1       5.275   3.776  -0.090  1.00  0.00           H  
HETATM   32  H   UNL     1       4.430   2.863  -1.364  1.00  0.00           H  
HETATM   33  H   UNL     1       3.552   2.864   1.557  1.00  0.00           H  
HETATM   34  H   UNL     1       2.903   3.993   0.343  1.00  0.00           H  
HETATM   35  H   UNL     1       2.048   2.164  -1.002  1.00  0.00           H  
HETATM   36  H   UNL     1       1.516   1.885   0.676  1.00  0.00           H  
HETATM   37  H   UNL     1       0.396   1.015  -0.163  1.00  0.00           H  
CONECT    1   18   19   19   11                                       
CONECT    2   19   20   20   24                                       
CONECT    3    4   21   21   18                                       
CONECT    4    9    9    5    3                                       
CONECT    5    6    6    4   25                                       
CONECT    6    7    5    5   26                                       
CONECT    7    8    8    6   27                                       
CONECT    8    7    7    9   28                                       
CONECT    9    8   23    4    4                                       
CONECT   10   11   11   20   22                                       
CONECT   11    1   12   10   10                                       
CONECT   12   17   11   13   13                                       
CONECT   13   12   12   14   22                                       
CONECT   14   15   13   29   30                                       
CONECT   15   16   14   31   32                                       
CONECT   16   17   15   33   34                                       
CONECT   17   16   12   35   36                                       
CONECT   18    3    1   37                                            
CONECT   19    1    1    2                                            
CONECT   20    2    2   10                                            
CONECT   21    3    3                                                 
CONECT   22   10   13                                                 
CONECT   23    9                                                      
CONECT   24    2                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29   14                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
