COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.542   1.193  -0.062  1.00  0.00           C  
HETATM    2  C   UNL     1       0.234   0.049   0.015  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.460  -1.237   0.102  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.210  -2.538   0.189  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.096   0.932  -0.046  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.870   0.858   1.052  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.183   0.578   0.611  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.134   0.497  -0.731  1.00  0.00           C  
HETATM    9  C   UNL     1       2.438  -0.432  -1.044  1.00  0.00           C  
HETATM   10  C   UNL     1       3.816  -0.359  -1.044  1.00  0.00           C  
HETATM   11  C   UNL     1       4.478   0.259   0.002  1.00  0.00           C  
HETATM   12  C   UNL     1       3.765   0.807   1.053  1.00  0.00           C  
HETATM   13  C   UNL     1       2.387   0.741   1.063  1.00  0.00           C  
HETATM   14  C   UNL     1       6.609   1.903  -0.862  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.837  -1.230   0.101  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.505  -0.045   0.021  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.871   1.103  -0.051  1.00  0.00           N  
HETATM   18  C   UNL     1       1.713   0.124   0.009  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.878  -0.050   0.021  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.616   1.212  -0.064  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.080  -2.492   0.186  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.117  -3.254   0.237  1.00  0.00           N  
HETATM   23  O   UNL     1      -6.866   0.706  -1.123  1.00  0.00           O  
HETATM   24  S   UNL     1       6.238   0.348  -0.005  1.00  0.00           S  
HETATM   25  O   UNL     1       6.589   0.439   1.369  1.00  0.00           O  
HETATM   26  O   UNL     1       6.642  -0.764  -0.792  1.00  0.00           O  
HETATM   27  H   UNL     1      -0.068   2.162  -0.127  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.222  -2.914   0.215  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.548   0.988   2.075  1.00  0.00           H  
HETATM   30  H   UNL     1      -9.058   0.453   1.232  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.971   0.293  -1.383  1.00  0.00           H  
HETATM   32  H   UNL     1       1.922  -0.915  -1.861  1.00  0.00           H  
HETATM   33  H   UNL     1       4.378  -0.786  -1.861  1.00  0.00           H  
HETATM   34  H   UNL     1       4.288   1.288   1.866  1.00  0.00           H  
HETATM   35  H   UNL     1       1.831   1.174   1.882  1.00  0.00           H  
HETATM   36  H   UNL     1       6.162   2.734  -0.317  1.00  0.00           H  
HETATM   37  H   UNL     1       7.689   2.041  -0.912  1.00  0.00           H  
HETATM   38  H   UNL     1       6.200   1.868  -1.871  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.360  -0.890   0.078  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.355   1.724  -0.991  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.355   1.844   0.785  1.00  0.00           H  
CONECT    1   17    2    2   27                                       
CONECT    2    1    1   18    3                                       
CONECT    3    2   15   21   21                                       
CONECT    4   15   22   22   28                                       
CONECT    5   20   23    6    6                                       
CONECT    6    5    5    7   29                                       
CONECT    7    8    8    6   30                                       
CONECT    8   23    7    7   31                                       
CONECT    9   18   10   10   32                                       
CONECT   10    9    9   11   33                                       
CONECT   11   12   12   10   24                                       
CONECT   12   13   11   11   34                                       
CONECT   13   18   18   12   35                                       
CONECT   14   24   36   37   38                                       
CONECT   15   16    3    4                                            
CONECT   16   17   17   19   15                                       
CONECT   17    1   16   16                                            
CONECT   18    2   13   13    9                                       
CONECT   19   20   16   39                                            
CONECT   20    5   19   40   41                                       
CONECT   21    3    3   22                                            
CONECT   22    4    4   21                                            
CONECT   23    5    8                                                 
CONECT   24   14   11   26   26                                       
CONECT   24   25   25                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27    1                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
