COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.991   6.149  12.796  1.00  0.00           C  
HETATM    2  B   UNL     1      -3.870   6.357  14.112  1.00  0.00           B  
HETATM    3  B   UNL     1      -3.529   7.027  12.496  1.00  0.00           B  
HETATM    4  B   UNL     1      -3.016   4.794  14.238  1.00  0.00           B  
HETATM    5  B   UNL     1      -2.245   6.162  13.391  1.00  0.00           B  
HETATM    6  B   UNL     1      -4.758   4.834  13.871  1.00  0.00           B  
HETATM    7  B   UNL     1      -4.962   4.576  12.104  1.00  0.00           B  
HETATM    8  B   UNL     1      -4.210   5.932  11.263  1.00  0.00           B  
HETATM    9  B   UNL     1      -2.151   4.513  12.694  1.00  0.00           B  
HETATM   10  B   UNL     1      -3.360   4.380  11.381  1.00  0.00           B  
HETATM   11  B   UNL     1      -2.453   5.901  11.617  1.00  0.00           B  
HETATM   12  C   UNL     1      -3.708   3.801  12.985  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.709   2.281  13.114  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.839   1.723  13.998  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.509   1.993  15.410  1.00  0.00           C  
HETATM   16  S   UNL     1      -5.542   1.012  16.481  1.00  0.00           S  
HETATM   17  O   UNL     1      -5.021   1.353  17.803  1.00  0.00           O  
HETATM   18  O   UNL     1      -6.921   1.348  16.237  1.00  0.00           O  
HETATM   19  N   UNL     1      -5.268  -0.478  16.116  1.00  0.00           N  
HETATM   20  H   UNL     1      -3.813   1.849  12.108  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.747   1.971  13.548  1.00  0.00           H  
HETATM   22  H   UNL     1      -5.789   2.214  13.739  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.932   0.638  13.840  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.454   1.740  15.591  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.673   3.059  15.624  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.828  -1.072  16.694  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.499  -0.634  15.156  1.00  0.00           H  
CONECT    1    2    3    6    7                                       
CONECT    1    8                                                      
CONECT    2    1    3    4    5                                       
CONECT    2    6                                                      
CONECT    3    1    2    5    8                                       
CONECT    3   11                                                      
CONECT    4    2    5    6    9                                       
CONECT    4   12                                                      
CONECT    5    2    3    4    9                                       
CONECT    5   11                                                      
CONECT    6    1    2    4   12                                       
CONECT    6    7                                                      
CONECT    7    1    8   10   12                                       
CONECT    7    6                                                      
CONECT    8    1    3    7   10                                       
CONECT    8   11                                                      
CONECT    9    4    5   10   11                                       
CONECT    9   12                                                      
CONECT   10    7    8    9   11                                       
CONECT   10   12                                                      
CONECT   11    3    8    9   10                                       
CONECT   11    5                                                      
CONECT   12    4    6    7    9                                       
CONECT   12   10   13                                                 
CONECT   13   12   14   20   21                                       
CONECT   14   13   15   22   23                                       
CONECT   15   14   16   24   25                                       
CONECT   16   15   17   17   18                                       
CONECT   16   18   19                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   16   26   27                                            
CONECT   20   13                                                      
CONECT   21   13                                                      
CONECT   22   14                                                      
CONECT   23   14                                                      
CONECT   24   15                                                      
CONECT   25   15                                                      
CONECT   26   19                                                      
CONECT   27   19                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
