COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.688   0.856   0.054  1.00  0.00           C  
HETATM    2  C   UNL     1       3.791   1.653  -0.242  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.020   1.244   0.338  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.499   3.101   0.675  1.00  0.00           C  
HETATM    5 BR   UNL     1       6.851  -1.130  -0.070  1.00  0.00          Br  
HETATM    6  C   UNL     1       5.160  -0.285  -0.027  1.00  0.00           C  
HETATM    7  C   UNL     1       4.018  -1.017   0.266  1.00  0.00           C  
HETATM    8  N   UNL     1       2.837  -0.441   0.298  1.00  0.00           N  
HETATM    9  C   UNL     1       5.049   1.073  -0.283  1.00  0.00           C  
HETATM   10  C   UNL     1       1.337   1.461   0.102  1.00  0.00           C  
HETATM   11  O   UNL     1       1.195   2.648  -0.116  1.00  0.00           O  
HETATM   12  N   UNL     1       0.265   0.695   0.387  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.092   0.470  -0.087  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.361   1.014  -0.129  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.564   2.328   0.251  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.228   2.564   0.719  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.524   0.175  -0.590  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.248  -1.213  -0.289  1.00  0.00           N  
HETATM   19  C   UNL     1      -5.052  -2.112   0.140  1.00  0.00           C  
HETATM   20  S   UNL     1      -6.747  -1.821   0.507  1.00  0.00           S  
HETATM   21  C   UNL     1      -6.968  -0.222  -0.319  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.794   0.680   0.086  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.560  -3.383   0.325  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.675   0.331  -2.105  1.00  0.00           C  
HETATM   25  H   UNL     1       3.668   2.708  -0.436  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.661   4.127   0.971  1.00  0.00           H  
HETATM   27  H   UNL     1       4.101  -2.074   0.470  1.00  0.00           H  
HETATM   28  H   UNL     1       5.923   1.665  -0.514  1.00  0.00           H  
HETATM   29  H   UNL     1       0.385  -0.237   0.627  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.933  -0.556  -0.384  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.557   2.750   0.217  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.397   3.167   1.054  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.971  -0.363  -1.400  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.907   0.230  -0.002  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.669   0.652   1.168  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.992   1.703  -0.234  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.629  -3.576   0.132  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.144  -4.087   0.649  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.762  -0.003  -2.597  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.515  -0.273  -2.450  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.857   1.378  -2.346  1.00  0.00           H  
CONECT    1    2    2    8   10                                       
CONECT    2    9    1    1   25                                       
CONECT    3   12   13   13   16                                       
CONECT    4   16   16   15   26                                       
CONECT    5    6                                                      
CONECT    6    5    9    9    7                                       
CONECT    7    6    8    8   27                                       
CONECT    8    7    7    1                                            
CONECT    9    6    6    2   28                                       
CONECT   10    1   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   10    3   29                                            
CONECT   13    3    3   14   30                                       
CONECT   14   13   17   15   15                                       
CONECT   15   14   14    4   31                                       
CONECT   16    3    4    4   32                                       
CONECT   17   18   22   14   24                                       
CONECT   18   19   19   17                                            
CONECT   19   20   23   18   18                                       
CONECT   20   21   19                                                 
CONECT   21   20   22   33   34                                       
CONECT   22   21   17   35   36                                       
CONECT   23   19   37   38                                            
CONECT   24   17   39   40   41                                       
CONECT   25    2                                                      
CONECT   26    4                                                      
CONECT   27    7                                                      
CONECT   28    9                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   21                                                      
CONECT   34   21                                                      
CONECT   35   22                                                      
CONECT   36   22                                                      
CONECT   37   23                                                      
CONECT   38   23                                                      
CONECT   39   24                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
