COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -0.293   1.712  -0.257  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.546  -0.409   0.005  1.00  0.00           C  
HETATM    3  C   UNL     1       2.801   1.112   0.596  1.00  0.00           C  
HETATM    4  C   UNL     1       4.339  -0.649   0.078  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.454   0.774  -0.531  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.654  -0.324   0.995  1.00  0.00           C  
HETATM    7  C   UNL     1       3.927  -1.340   1.208  1.00  0.00           C  
HETATM    8  C   UNL     1       3.775   0.575  -0.225  1.00  0.00           C  
HETATM    9  C   UNL     1       5.400  -1.234  -0.818  1.00  0.00           C  
HETATM   10  C   UNL     1       2.393   0.428   1.727  1.00  0.00           C  
HETATM   11  C   UNL     1       2.954  -0.797   2.034  1.00  0.00           C  
HETATM   12  C   UNL     1       4.751  -2.191  -1.820  1.00  0.00           C  
HETATM   13  C   UNL     1       4.008  -3.199   2.688  1.00  0.00           C  
HETATM   14  C   UNL     1       3.823  -1.405  -2.749  1.00  0.00           C  
HETATM   15  C   UNL     1       5.839  -2.878  -2.647  1.00  0.00           C  
HETATM   16  N   UNL     1       0.766   2.382  -0.753  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.363   1.470  -1.040  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.543   0.316   0.678  1.00  0.00           N  
HETATM   19  O   UNL     1       1.583   3.200   1.428  1.00  0.00           O  
HETATM   20  O   UNL     1       3.029   3.357  -0.605  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.282   1.322   0.894  1.00  0.00           O  
HETATM   22  O   UNL     1       4.480  -2.545   1.508  1.00  0.00           O  
HETATM   23  S   UNL     1       2.084   2.673   0.207  1.00  0.00           S  
HETATM   24  S   UNL     1      -3.872   0.399  -1.408  1.00  0.00           S  
HETATM   25 BR   UNL     1      -6.234  -1.257   0.101  1.00  0.00          Br  
HETATM   26  H   UNL     1      -3.828  -0.743   1.975  1.00  0.00           H  
HETATM   27  H   UNL     1       4.095   1.114  -1.105  1.00  0.00           H  
HETATM   28  H   UNL     1       5.903  -0.431  -1.357  1.00  0.00           H  
HETATM   29  H   UNL     1       6.126  -1.777  -0.215  1.00  0.00           H  
HETATM   30  H   UNL     1       1.636   0.851   2.370  1.00  0.00           H  
HETATM   31  H   UNL     1       2.634  -1.331   2.917  1.00  0.00           H  
HETATM   32  H   UNL     1       4.174  -2.943  -1.282  1.00  0.00           H  
HETATM   33  H   UNL     1       4.530  -4.148   2.810  1.00  0.00           H  
HETATM   34  H   UNL     1       4.196  -2.566   3.555  1.00  0.00           H  
HETATM   35  H   UNL     1       2.937  -3.383   2.598  1.00  0.00           H  
HETATM   36  H   UNL     1       3.361  -2.087  -3.463  1.00  0.00           H  
HETATM   37  H   UNL     1       3.048  -0.916  -2.160  1.00  0.00           H  
HETATM   38  H   UNL     1       4.401  -0.653  -3.287  1.00  0.00           H  
HETATM   39  H   UNL     1       6.499  -3.438  -1.985  1.00  0.00           H  
HETATM   40  H   UNL     1       5.377  -3.560  -3.361  1.00  0.00           H  
HETATM   41  H   UNL     1       6.416  -2.126  -3.185  1.00  0.00           H  
HETATM   42  H   UNL     1       0.757   2.693  -1.672  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.373   1.781  -1.959  1.00  0.00           H  
CONECT    1   17   16   21   21                                       
CONECT    2    6    6   24   25                                       
CONECT    3   10   23    8    8                                       
CONECT    4    7    7    8    9                                       
CONECT    5   18   18   17   24                                       
CONECT    6   18    2    2   26                                       
CONECT    7   11   22    4    4                                       
CONECT    8    3    3    4   27                                       
CONECT    9    4   12   28   29                                       
CONECT   10   11   11    3   30                                       
CONECT   11   10   10    7   31                                       
CONECT   12    9   15   14   32                                       
CONECT   13   22   33   34   35                                       
CONECT   14   12   36   37   38                                       
CONECT   15   12   39   40   41                                       
CONECT   16    1   23   42                                            
CONECT   17    5    1   43                                            
CONECT   18    5    5    6                                            
CONECT   19   23   23                                                 
CONECT   20   23   23                                                 
CONECT   21    1    1                                                 
CONECT   22   13    7                                                 
CONECT   23   16   20   20    3                                       
CONECT   23   19   19                                                 
CONECT   24    5    2                                                 
CONECT   25    2                                                      
CONECT   26    6                                                      
CONECT   27    8                                                      
CONECT   28    9                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
