COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.458  -1.133   0.229  1.00  0.00           C  
HETATM    2  N   UNL     1       1.678  -1.921   0.418  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.181  -2.005   0.663  1.00  0.00           C  
HETATM    4  C   UNL     1       7.714  -0.457  -0.610  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.179   0.184   1.356  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.678   0.386   0.082  1.00  0.00           C  
HETATM    7  C   UNL     1       2.884  -1.363   0.191  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.047  -0.185  -1.007  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.912  -0.961  -0.821  1.00  0.00           C  
HETATM   10  C   UNL     1       6.721   0.350  -0.087  1.00  0.00           C  
HETATM   11  C   UNL     1       5.490  -0.187   0.237  1.00  0.00           C  
HETATM   12  C   UNL     1       5.251  -1.540   0.037  1.00  0.00           C  
HETATM   13  C   UNL     1       6.251  -2.349  -0.489  1.00  0.00           C  
HETATM   14  C   UNL     1       7.479  -1.805  -0.811  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.763  -1.997   0.551  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.414  -1.162   0.458  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.048  -0.589   1.543  1.00  0.00           C  
HETATM   18  N   UNL     1       6.591   2.853  -1.225  1.00  0.00           N  
HETATM   19  N   UNL     1       4.006  -2.088   0.365  1.00  0.00           N  
HETATM   20  N   UNL     1      -1.986  -1.206   0.362  1.00  0.00           N  
HETATM   21  O   UNL     1       6.113   2.493   1.170  1.00  0.00           O  
HETATM   22  O   UNL     1       8.434   2.211   0.286  1.00  0.00           O  
HETATM   23  O   UNL     1       2.959  -0.204  -0.170  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.290  -1.524  -1.890  1.00  0.00           O  
HETATM   25  S   UNL     1       7.025   2.067   0.167  1.00  0.00           S  
HETATM   26 BR   UNL     1      -8.226   1.443  -0.169  1.00  0.00          Br  
HETATM   27  H   UNL     1       0.478  -0.269   0.894  1.00  0.00           H  
HETATM   28  H   UNL     1       0.401  -0.794  -0.805  1.00  0.00           H  
HETATM   29  H   UNL     1       1.619  -2.845   0.706  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.141  -2.343   1.698  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.217  -2.869  -0.001  1.00  0.00           H  
HETATM   32  H   UNL     1       8.673  -0.033  -0.867  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.670   0.634   2.206  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.437  -0.028  -2.002  1.00  0.00           H  
HETATM   35  H   UNL     1       4.715   0.444   0.646  1.00  0.00           H  
HETATM   36  H   UNL     1       6.068  -3.402  -0.645  1.00  0.00           H  
HETATM   37  H   UNL     1       8.255  -2.432  -1.224  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.782  -2.860  -0.113  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.705  -2.335   1.586  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.657  -0.742   2.539  1.00  0.00           H  
HETATM   41  H   UNL     1       7.249   3.368  -1.717  1.00  0.00           H  
HETATM   42  H   UNL     1       5.678   2.799  -1.548  1.00  0.00           H  
HETATM   43  H   UNL     1       3.951  -2.990   0.717  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.963  -0.365   0.920  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.605  -0.968  -2.284  1.00  0.00           H  
CONECT    1    2   15   27   28                                       
CONECT    2    7    1   29                                            
CONECT    3   16   20   30   31                                       
CONECT    4   10   10   14   32                                       
CONECT    5    6    6   17   33                                       
CONECT    6   26    5    5    8                                       
CONECT    7   19   23   23    2                                       
CONECT    8    6    9    9   34                                       
CONECT    9    8    8   16   24                                       
CONECT   10   25    4    4   11                                       
CONECT   11   10   12   12   35                                       
CONECT   12   11   11   13   19                                       
CONECT   13   14   14   12   36                                       
CONECT   14    4   13   13   37                                       
CONECT   15    1   20   38   39                                       
CONECT   16   17   17    9    3                                       
CONECT   17    5   16   16   40                                       
CONECT   18   25   41   42                                            
CONECT   19   12    7   43                                            
CONECT   20   15    3   44                                            
CONECT   21   25   25                                                 
CONECT   22   25   25                                                 
CONECT   23    7    7                                                 
CONECT   24    9   45                                                 
CONECT   25   18   22   22   21                                       
CONECT   25   21   10                                                 
CONECT   26    6                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    8                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
