COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.624   2.003  -0.307  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.827   2.680  -0.352  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.970   2.032  -0.782  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.909   0.706  -1.168  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.705   0.029  -1.124  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.562   0.677  -0.694  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.248  -0.060  -0.651  1.00  0.00           C  
HETATM    8  S   UNL     1      -2.044  -0.840   0.974  1.00  0.00           S  
HETATM    9  O   UNL     1      -1.863   0.147   1.981  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.981  -1.895   1.142  1.00  0.00           O  
HETATM   11  N   UNL     1      -0.578  -1.605   0.884  1.00  0.00           N  
HETATM   12  C   UNL     1       0.574  -0.872   0.633  1.00  0.00           C  
HETATM   13  C   UNL     1       0.714   0.408   1.156  1.00  0.00           C  
HETATM   14  C   UNL     1       1.860   1.135   0.906  1.00  0.00           C  
HETATM   15  C   UNL     1       2.879   0.597   0.134  1.00  0.00           C  
HETATM   16 BR   UNL     1       4.442   1.608  -0.198  1.00  0.00          Br  
HETATM   17  C   UNL     1       2.758  -0.671  -0.393  1.00  0.00           C  
HETATM   18  C   UNL     1       1.606  -1.422  -0.144  1.00  0.00           C  
HETATM   19  C   UNL     1       1.470  -2.778  -0.703  1.00  0.00           C  
HETATM   20  O   UNL     1       2.459  -3.299  -1.457  1.00  0.00           O  
HETATM   21  O   UNL     1       0.467  -3.428  -0.484  1.00  0.00           O  
HETATM   22  H   UNL     1      -2.730   2.510   0.025  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.876   3.716  -0.050  1.00  0.00           H  
HETATM   24  H   UNL     1      -6.911   2.561  -0.815  1.00  0.00           H  
HETATM   25  H   UNL     1      -6.802   0.199  -1.503  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.657  -1.008  -1.426  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.237  -0.827  -1.426  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.432   0.642  -0.823  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.525  -2.566   1.006  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.074   0.834   1.758  1.00  0.00           H  
HETATM   31  H   UNL     1       1.964   2.129   1.314  1.00  0.00           H  
HETATM   32  H   UNL     1       3.554  -1.086  -0.993  1.00  0.00           H  
HETATM   33  H   UNL     1       2.324  -4.192  -1.801  1.00  0.00           H  
CONECT    1    2    6    6   22                                       
CONECT    2    3    3    1   23                                       
CONECT    3    2    2    4   24                                       
CONECT    4    3    5    5   25                                       
CONECT    5    4    4    6   26                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8   27   28                                       
CONECT    8   11    9    9    7                                       
CONECT    8   10   10                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11   12    8   29                                            
CONECT   12   18   11   13   13                                       
CONECT   13   12   12   14   30                                       
CONECT   14   15   15   13   31                                       
CONECT   15   17   16   14   14                                       
CONECT   16   15                                                      
CONECT   17   18   18   15   32                                       
CONECT   18   19   17   17   12                                       
CONECT   19   21   21   20   18                                       
CONECT   20   19   33                                                 
CONECT   21   19   19                                                 
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29   11                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   17                                                      
CONECT   33   20                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
