COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.286   0.127  -0.695  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.847  -0.186  -0.312  1.00  0.00           N  
HETATM    3  C   UNL     1       1.163  -2.240  -0.176  1.00  0.00           C  
HETATM    4  C   UNL     1       3.151  -3.292  -1.014  1.00  0.00           C  
HETATM    5  C   UNL     1       1.168  -3.106   0.916  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.224   0.038  -0.181  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.419  -0.770   0.347  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.110   1.513  -0.315  1.00  0.00           C  
HETATM    9  C   UNL     1       5.303   4.624  -0.346  1.00  0.00           C  
HETATM   10  C   UNL     1       3.626   1.867  -0.135  1.00  0.00           C  
HETATM   11  C   UNL     1       2.350   1.150   0.224  1.00  0.00           C  
HETATM   12  C   UNL     1       1.600   0.771  -1.055  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.922   0.733  -0.692  1.00  0.00           C  
HETATM   14  C   UNL     1       0.099  -1.214  -0.307  1.00  0.00           C  
HETATM   15  C   UNL     1       2.163  -2.336  -1.141  1.00  0.00           C  
HETATM   16  C   UNL     1       3.148  -4.154   0.069  1.00  0.00           C  
HETATM   17  C   UNL     1       2.159  -4.058   1.033  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.062  -0.994   0.219  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.944   0.481   0.078  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.753   1.295  -0.445  1.00  0.00           C  
HETATM   21  N   UNL     1       4.454   2.298   0.837  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.185  -1.398  -0.081  1.00  0.00           N  
HETATM   23  O   UNL     1       6.480   2.235  -0.509  1.00  0.00           O  
HETATM   24  O   UNL     1       6.468   3.360   1.694  1.00  0.00           O  
HETATM   25  O   UNL     1       3.907   2.057  -1.300  1.00  0.00           O  
HETATM   26  S   UNL     1       5.855   3.086   0.442  1.00  0.00           S  
HETATM   27 BR   UNL     1      -7.803   0.782   0.247  1.00  0.00          Br  
HETATM   28 CL   UNL     1       4.393  -5.354   0.222  1.00  0.00          Cl  
HETATM   29  H   UNL     1       3.926  -3.368  -1.762  1.00  0.00           H  
HETATM   30  H   UNL     1       0.397  -3.032   1.669  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.072  -1.574   0.654  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.522   2.490  -0.525  1.00  0.00           H  
HETATM   33  H   UNL     1       4.707   4.387  -1.227  1.00  0.00           H  
HETATM   34  H   UNL     1       4.699   5.196   0.358  1.00  0.00           H  
HETATM   35  H   UNL     1       6.171   5.213  -0.642  1.00  0.00           H  
HETATM   36  H   UNL     1       2.587   0.247   0.787  1.00  0.00           H  
HETATM   37  H   UNL     1       1.725   1.803   0.832  1.00  0.00           H  
HETATM   38  H   UNL     1       2.201   0.071  -1.635  1.00  0.00           H  
HETATM   39  H   UNL     1       1.415   1.668  -1.646  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.116   1.764  -0.947  1.00  0.00           H  
HETATM   41  H   UNL     1       2.166  -1.665  -1.986  1.00  0.00           H  
HETATM   42  H   UNL     1       2.162  -4.733   1.877  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.654  -1.972   0.428  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.103   2.101  -0.752  1.00  0.00           H  
HETATM   45  H   UNL     1       4.229   2.146   1.768  1.00  0.00           H  
CONECT    1   12   14   13   13                                       
CONECT    2   22   13    6                                            
CONECT    3   15   15    5   14                                       
CONECT    4   16   16   15   29                                       
CONECT    5   17   17    3   30                                       
CONECT    6    2   18   18   20                                       
CONECT    7   18   19   19   31                                       
CONECT    8   20   20   19   32                                       
CONECT    9   26   33   34   35                                       
CONECT   10   25   25   21   11                                       
CONECT   11   10   12   36   37                                       
CONECT   12   11    1   38   39                                       
CONECT   13    1    1    2   40                                       
CONECT   14    3    1   22   22                                       
CONECT   15    4    3    3   41                                       
CONECT   16   28    4    4   17                                       
CONECT   17   16    5    5   42                                       
CONECT   18    6    6    7   43                                       
CONECT   19    7    7    8   27                                       
CONECT   20    6    8    8   44                                       
CONECT   21   26   10   45                                            
CONECT   22   14   14    2                                            
CONECT   23   26   26                                                 
CONECT   24   26   26                                                 
CONECT   25   10   10                                                 
CONECT   26    9   23   23   24                                       
CONECT   26   24   21                                                 
CONECT   27   19                                                      
CONECT   28   16                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
