COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.619   0.875  -3.407  1.00  0.00           C  
HETATM    2  O   UNL     1       2.288   0.073  -2.271  1.00  0.00           O  
HETATM    3  C   UNL     1       2.213   0.705  -1.070  1.00  0.00           C  
HETATM    4  C   UNL     1       2.448   2.067  -0.987  1.00  0.00           C  
HETATM    5  C   UNL     1       2.371   2.710   0.240  1.00  0.00           C  
HETATM    6  O   UNL     1       2.601   4.048   0.321  1.00  0.00           O  
HETATM    7  C   UNL     1       2.504   4.645   1.616  1.00  0.00           C  
HETATM    8  C   UNL     1       2.059   1.990   1.384  1.00  0.00           C  
HETATM    9  C   UNL     1       1.824   0.630   1.304  1.00  0.00           C  
HETATM   10  C   UNL     1       1.895  -0.016   0.079  1.00  0.00           C  
HETATM   11  N   UNL     1       1.651  -1.395  -0.002  1.00  0.00           N  
HETATM   12  C   UNL     1       2.609  -2.276   0.262  1.00  0.00           C  
HETATM   13  O   UNL     1       3.728  -1.929   0.577  1.00  0.00           O  
HETATM   14  C   UNL     1       2.229  -3.739   0.150  1.00  0.00           C  
HETATM   15  S   UNL     1       0.392  -3.665   0.156  1.00  0.00           S  
HETATM   16  C   UNL     1       0.326  -1.910  -0.378  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.764  -1.171   0.355  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.838  -0.653  -0.344  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.839   0.024   0.328  1.00  0.00           C  
HETATM   20 BR   UNL     1      -4.308   0.733  -0.627  1.00  0.00          Br  
HETATM   21  C   UNL     1      -2.764   0.183   1.701  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.690  -0.336   2.399  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.693  -1.017   1.727  1.00  0.00           C  
HETATM   24  H   UNL     1       3.596   1.333  -3.255  1.00  0.00           H  
HETATM   25  H   UNL     1       2.645   0.249  -4.299  1.00  0.00           H  
HETATM   26  H   UNL     1       1.868   1.655  -3.532  1.00  0.00           H  
HETATM   27  H   UNL     1       2.691   2.629  -1.877  1.00  0.00           H  
HETATM   28  H   UNL     1       3.230   4.181   2.284  1.00  0.00           H  
HETATM   29  H   UNL     1       2.710   5.712   1.540  1.00  0.00           H  
HETATM   30  H   UNL     1       1.500   4.496   2.011  1.00  0.00           H  
HETATM   31  H   UNL     1       2.000   2.492   2.338  1.00  0.00           H  
HETATM   32  H   UNL     1       1.582   0.071   2.196  1.00  0.00           H  
HETATM   33  H   UNL     1       2.597  -4.165  -0.782  1.00  0.00           H  
HETATM   34  H   UNL     1       2.600  -4.303   1.006  1.00  0.00           H  
HETATM   35  H   UNL     1       0.183  -1.840  -1.456  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.895  -0.777  -1.416  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.546   0.712   2.226  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.632  -0.211   3.470  1.00  0.00           H  
HETATM   39  H   UNL     1       0.144  -1.426   2.273  1.00  0.00           H  
CONECT    1    2   24   25   26                                       
CONECT    2    1    3                                                 
CONECT    3    2   10   10    4                                       
CONECT    4    3    5    5   27                                       
CONECT    5    4    4    8    6                                       
CONECT    6    7    5                                                 
CONECT    7    6   28   29   30                                       
CONECT    8    9    9    5   31                                       
CONECT    9   10    8    8   32                                       
CONECT   10    3    3   11    9                                       
CONECT   11   16   12   10                                            
CONECT   12   13   13   14   11                                       
CONECT   13   12   12                                                 
CONECT   14   15   12   33   34                                       
CONECT   15   16   14                                                 
CONECT   16   15   11   17   35                                       
CONECT   17   16   23   23   18                                       
CONECT   18   17   19   19   36                                       
CONECT   19   18   18   21   20                                       
CONECT   20   19                                                      
CONECT   21   22   22   19   37                                       
CONECT   22   23   21   21   38                                       
CONECT   23   17   17   22   39                                       
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    4                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   18                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
