COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.139  -2.355  -0.125  1.00  0.00           C  
HETATM    2  C   UNL     1       2.849  -1.825   0.007  1.00  0.00           C  
HETATM    3  N   UNL     1       1.139  -0.166  -0.488  1.00  0.00           N  
HETATM    4  C   UNL     1       2.445  -0.502  -0.145  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.350  -1.150   0.058  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.237  -2.521   0.189  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.996  -3.123   0.099  1.00  0.00           C  
HETATM    8  C   UNL     1       4.163  -2.114   0.349  1.00  0.00           C  
HETATM    9  C   UNL     1       5.074  -1.091   0.540  1.00  0.00           C  
HETATM   10  C   UNL     1       4.675   0.224   0.392  1.00  0.00           C  
HETATM   11  C   UNL     1       0.917   1.127  -1.141  1.00  0.00           C  
HETATM   12  C   UNL     1       0.658   2.197  -0.079  1.00  0.00           C  
HETATM   13  C   UNL     1       0.426   3.546  -0.761  1.00  0.00           C  
HETATM   14  C   UNL     1       1.373   4.799   1.082  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.281   5.826  -0.356  1.00  0.00           C  
HETATM   16  N   UNL     1       0.177   4.574   0.259  1.00  0.00           N  
HETATM   17  C   UNL     1       0.029  -0.975  -0.259  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.225  -0.378  -0.165  1.00  0.00           C  
HETATM   19  S   UNL     1       1.709  -3.145  -0.227  1.00  0.00           S  
HETATM   20  C   UNL     1       3.369   0.519   0.052  1.00  0.00           C  
HETATM   21  H   UNL     1      -3.118  -3.122   0.362  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.908  -4.195   0.202  1.00  0.00           H  
HETATM   23  H   UNL     1       4.476  -3.141   0.466  1.00  0.00           H  
HETATM   24  H   UNL     1       6.095  -1.319   0.806  1.00  0.00           H  
HETATM   25  H   UNL     1       5.386   1.023   0.544  1.00  0.00           H  
HETATM   26  H   UNL     1       1.799   1.397  -1.722  1.00  0.00           H  
HETATM   27  H   UNL     1       0.054   1.056  -1.804  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.224   1.926   0.501  1.00  0.00           H  
HETATM   29  H   UNL     1       1.521   2.268   0.583  1.00  0.00           H  
HETATM   30  H   UNL     1       1.309   3.817  -1.341  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.437   3.476  -1.423  1.00  0.00           H  
HETATM   32  H   UNL     1       1.141   5.512   1.873  1.00  0.00           H  
HETATM   33  H   UNL     1       1.692   3.856   1.526  1.00  0.00           H  
HETATM   34  H   UNL     1       2.174   5.196   0.458  1.00  0.00           H  
HETATM   35  H   UNL     1       0.480   6.194  -1.044  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.207   5.645  -0.903  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.458   6.570   0.421  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.319   0.693  -0.266  1.00  0.00           H  
HETATM   39  H   UNL     1       3.063   1.549  -0.062  1.00  0.00           H  
HETATM   40 BR   UNL     1      -4.048  -0.327   0.181  1.00  0.00          Br  
CONECT    1   19   17   17    7                                       
CONECT    2    4    4    8   19                                       
CONECT    3   11    4   17                                            
CONECT    4   20    3    2    2                                       
CONECT    5   18   18    6   40                                       
CONECT    6    7    7    5   21                                       
CONECT    7    1    6    6   22                                       
CONECT    8    9    9    2   23                                       
CONECT    9   10    8    8   24                                       
CONECT   10   20   20    9   25                                       
CONECT   11   12    3   26   27                                       
CONECT   12   13   11   28   29                                       
CONECT   13   16   12   30   31                                       
CONECT   14   16   32   33   34                                       
CONECT   15   16   35   36   37                                       
CONECT   16   15   14   13                                            
CONECT   17    3    1    1   18                                       
CONECT   18   17    5    5   38                                       
CONECT   19    2    1                                                 
CONECT   20   10   10    4   39                                       
CONECT   21    6                                                      
CONECT   22    7                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
CONECT   28   12                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
CONECT   40    5                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
