COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.104  -0.573  -0.859  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.655  -1.698  -0.221  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.342  -3.002  -0.640  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.896  -4.067   0.002  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.769  -3.885   1.072  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.095  -2.636   1.506  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.544  -1.512   0.868  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.856  -0.208   1.288  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.302   0.857   0.646  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.425   0.674  -0.421  1.00  0.00           C  
HETATM   11  S   UNL     1      -1.730   2.081  -1.224  1.00  0.00           S  
HETATM   12  O   UNL     1      -1.367   1.659  -2.531  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.617   3.163  -0.975  1.00  0.00           O  
HETATM   14  N   UNL     1      -0.317   2.444  -0.440  1.00  0.00           N  
HETATM   15  C   UNL     1       0.708   1.509  -0.388  1.00  0.00           C  
HETATM   16  C   UNL     1       0.943   0.670  -1.471  1.00  0.00           C  
HETATM   17  C   UNL     1       1.962  -0.259  -1.417  1.00  0.00           C  
HETATM   18  C   UNL     1       2.759  -0.363  -0.286  1.00  0.00           C  
HETATM   19 BR   UNL     1       4.151  -1.641  -0.231  1.00  0.00          Br  
HETATM   20  C   UNL     1       2.541   0.461   0.797  1.00  0.00           C  
HETATM   21  C   UNL     1       1.516   1.411   0.756  1.00  0.00           C  
HETATM   22  C   UNL     1       1.282   2.298   1.907  1.00  0.00           C  
HETATM   23  O   UNL     1       0.387   3.119   1.869  1.00  0.00           O  
HETATM   24  O   UNL     1       2.060   2.200   3.003  1.00  0.00           O  
HETATM   25  H   UNL     1      -1.425  -0.699  -1.689  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.667  -3.158  -1.469  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.654  -5.068  -0.323  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.194  -4.747   1.564  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.774  -2.510   2.337  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.531  -0.052   2.116  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.544   1.858   0.971  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.206   3.310  -0.017  1.00  0.00           H  
HETATM   33  H   UNL     1       0.327   0.744  -2.355  1.00  0.00           H  
HETATM   34  H   UNL     1       2.140  -0.909  -2.261  1.00  0.00           H  
HETATM   35  H   UNL     1       3.164   0.376   1.675  1.00  0.00           H  
HETATM   36  H   UNL     1       1.868   2.804   3.733  1.00  0.00           H  
CONECT    1   10   10    2   25                                       
CONECT    2    7    1    3    3                                       
CONECT    3    2    2    4   26                                       
CONECT    4    5    5    3   27                                       
CONECT    5    6    4    4   28                                       
CONECT    6    7    7    5   29                                       
CONECT    7    8    6    6    2                                       
CONECT    8    9    9    7   30                                       
CONECT    9    8    8   10   31                                       
CONECT   10    9   11    1    1                                       
CONECT   11   13   13   10   12                                       
CONECT   11   12   14                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   15   32                                            
CONECT   15   16   14   21   21                                       
CONECT   16   17   17   15   33                                       
CONECT   17   16   16   18   34                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18                                                      
CONECT   20   18   18   21   35                                       
CONECT   21   15   15   20   22                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   36                                                 
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   14                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   20                                                      
CONECT   36   24                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
