COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.588  -1.091  -0.179  1.00  0.00           C  
HETATM    2  O   UNL     1       5.213  -1.425   0.018  1.00  0.00           O  
HETATM    3  C   UNL     1       4.326  -0.404   0.011  1.00  0.00           C  
HETATM    4  N   UNL     1       4.633   0.856  -0.162  1.00  0.00           N  
HETATM    5  C   UNL     1       3.503   1.608  -0.112  1.00  0.00           C  
HETATM    6  C   UNL     1       3.247   2.976  -0.232  1.00  0.00           C  
HETATM    7  C   UNL     1       1.936   3.407  -0.126  1.00  0.00           C  
HETATM    8  C   UNL     1       0.929   2.481   0.092  1.00  0.00           C  
HETATM    9  N   UNL     1       1.192   1.195   0.202  1.00  0.00           N  
HETATM   10  C   UNL     1       2.427   0.730   0.109  1.00  0.00           C  
HETATM   11  N   UNL     1       2.978  -0.536   0.177  1.00  0.00           N  
HETATM   12  C   UNL     1       2.249  -1.788   0.391  1.00  0.00           C  
HETATM   13  C   UNL     1       1.349  -2.188  -0.791  1.00  0.00           C  
HETATM   14  C   UNL     1       0.237  -1.364  -0.120  1.00  0.00           C  
HETATM   15  C   UNL     1       0.960  -1.618   1.213  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.085  -1.989  -0.199  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.222  -1.210  -0.133  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.428  -1.661  -0.193  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.438  -0.772  -0.112  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.828  -1.010  -0.152  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.715   0.033  -0.055  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.260   1.336   0.084  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.907   1.591   0.126  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.993   0.545   0.028  1.00  0.00           C  
HETATM   25  S   UNL     1      -2.231   0.538   0.054  1.00  0.00           S  
HETATM   26  H   UNL     1       6.914  -0.414   0.611  1.00  0.00           H  
HETATM   27  H   UNL     1       7.190  -1.999  -0.150  1.00  0.00           H  
HETATM   28  H   UNL     1       6.709  -0.605  -1.147  1.00  0.00           H  
HETATM   29  H   UNL     1       4.049   3.678  -0.401  1.00  0.00           H  
HETATM   30  H   UNL     1       1.701   4.457  -0.213  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.093   2.821   0.174  1.00  0.00           H  
HETATM   32  H   UNL     1       2.890  -2.596   0.744  1.00  0.00           H  
HETATM   33  H   UNL     1       1.678  -1.781  -1.747  1.00  0.00           H  
HETATM   34  H   UNL     1       1.135  -3.255  -0.835  1.00  0.00           H  
HETATM   35  H   UNL     1       0.229  -0.316  -0.420  1.00  0.00           H  
HETATM   36  H   UNL     1       0.640  -2.531   1.716  1.00  0.00           H  
HETATM   37  H   UNL     1       0.975  -0.752   1.874  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.161  -2.951  -0.299  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.197  -2.019  -0.261  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.777  -0.162  -0.088  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.966   2.149   0.159  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.554   2.606   0.234  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   11                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   29                                       
CONECT    7    6    8    8   30                                       
CONECT    8    7    7    9   31                                       
CONECT    9    8   10   10                                            
CONECT   10    5    9    9   11                                       
CONECT   11    3   10   12                                            
CONECT   12   11   13   15   32                                       
CONECT   13   12   14   33   34                                       
CONECT   14   13   15   16   35                                       
CONECT   15   12   14   36   37                                       
CONECT   16   14   17   38                                            
CONECT   17   16   18   18   25                                       
CONECT   18   17   17   19                                            
CONECT   19   18   20   20   24                                       
CONECT   20   19   19   21   39                                       
CONECT   21   20   22   22   40                                       
CONECT   22   21   21   23   41                                       
CONECT   23   22   24   24   42                                       
CONECT   24   19   23   23   25                                       
CONECT   25   17   24                                                 
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
