COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.020  -2.775  -0.471  1.00  0.00           O  
HETATM    2  C   UNL     1       3.163  -2.618  -0.086  1.00  0.00           C  
HETATM    3  O   UNL     1       3.896  -3.681   0.300  1.00  0.00           O  
HETATM    4  C   UNL     1       3.746  -1.271  -0.047  1.00  0.00           C  
HETATM    5  S   UNL     1       5.378  -0.904   0.485  1.00  0.00           S  
HETATM    6  C   UNL     1       5.142   0.814   0.187  1.00  0.00           C  
HETATM    7  C   UNL     1       6.013   1.895   0.360  1.00  0.00           C  
HETATM    8  C   UNL     1       5.601   3.170   0.055  1.00  0.00           C  
HETATM    9  C   UNL     1       4.317   3.393  -0.427  1.00  0.00           C  
HETATM   10  C   UNL     1       3.453   2.358  -0.603  1.00  0.00           C  
HETATM   11  C   UNL     1       3.847   1.033  -0.298  1.00  0.00           C  
HETATM   12  C   UNL     1       3.108  -0.155  -0.417  1.00  0.00           C  
HETATM   13  C   UNL     1       1.689  -0.171  -0.924  1.00  0.00           C  
HETATM   14  C   UNL     1       0.725  -0.004   0.253  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.716  -0.021  -0.262  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.616   0.134   0.837  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.944   0.141   0.550  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.372  -0.004  -0.761  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.723   0.003  -1.051  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.189  -0.155  -2.475  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.649   0.155  -0.033  1.00  0.00           C  
HETATM   22 CL   UNL     1      -7.346   0.163  -0.400  1.00  0.00          Cl  
HETATM   23  C   UNL     1      -5.224   0.300   1.275  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.234   0.464   2.381  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.874   0.288   1.569  1.00  0.00           C  
HETATM   26  H   UNL     1       3.471  -4.548   0.253  1.00  0.00           H  
HETATM   27  H   UNL     1       7.012   1.727   0.735  1.00  0.00           H  
HETATM   28  H   UNL     1       6.277   4.001   0.191  1.00  0.00           H  
HETATM   29  H   UNL     1       4.002   4.398  -0.664  1.00  0.00           H  
HETATM   30  H   UNL     1       2.458   2.549  -0.979  1.00  0.00           H  
HETATM   31  H   UNL     1       1.546   0.648  -1.629  1.00  0.00           H  
HETATM   32  H   UNL     1       1.492  -1.119  -1.423  1.00  0.00           H  
HETATM   33  H   UNL     1       0.868  -0.823   0.958  1.00  0.00           H  
HETATM   34  H   UNL     1       0.922   0.944   0.752  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.859   0.798  -0.967  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.912  -0.970  -0.761  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.650  -0.123  -1.555  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.333  -1.213  -2.695  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.131   0.376  -2.610  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.439   0.257  -3.150  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.509  -0.516   2.771  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.802   1.065   3.181  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.122   0.962   1.991  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.543   0.397   2.592  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   26                                                 
CONECT    4    2    5   12   12                                       
CONECT    5    4    6                                                 
CONECT    6    5   11   11    7                                       
CONECT    7    6    8    8   27                                       
CONECT    8    7    7    9   28                                       
CONECT    9   10   10    8   29                                       
CONECT   10   11    9    9   30                                       
CONECT   11   12    6    6   10                                       
CONECT   12    4    4   13   11                                       
CONECT   13   14   12   31   32                                       
CONECT   14   13   15   33   34                                       
CONECT   15   14   16   35   36                                       
CONECT   16   15   17                                                 
CONECT   17   16   25   25   18                                       
CONECT   18   17   19   19   37                                       
CONECT   19   18   18   21   20                                       
CONECT   20   19   38   39   40                                       
CONECT   21   23   23   19   22                                       
CONECT   22   21                                                      
CONECT   23   25   24   21   21                                       
CONECT   24   23   41   42   43                                       
CONECT   25   17   17   23   44                                       
CONECT   26    3                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   18                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
