COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.749  -0.653   0.308  1.00  0.00           C  
HETATM    2  C   UNL     1       4.940   0.143  -0.238  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.267   0.020  -0.766  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.455  -1.811  -0.182  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.022   5.288  -0.919  1.00  0.00           C  
HETATM    6  O   UNL     1       1.045  -2.114   1.533  1.00  0.00           O  
HETATM    7  S   UNL     1       1.392  -0.740   1.429  1.00  0.00           S  
HETATM    8  O   UNL     1       1.747   0.058   2.550  1.00  0.00           O  
HETATM    9  C   UNL     1       3.875   0.075   0.641  1.00  0.00           C  
HETATM   10  C   UNL     1       2.689  -1.318  -0.904  1.00  0.00           C  
HETATM   11 CL   UNL     1       1.276  -2.238  -1.320  1.00  0.00          Cl  
HETATM   12  C   UNL     1       3.754  -1.250  -1.783  1.00  0.00           C  
HETATM   13  C   UNL     1       4.878  -0.517  -1.451  1.00  0.00           C  
HETATM   14  N   UNL     1       0.108   0.014   0.705  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.056  -0.600   0.333  1.00  0.00           C  
HETATM   16  C   UNL     1       0.051   1.354   0.393  1.00  0.00           C  
HETATM   17  C   UNL     1       0.938   2.414   0.555  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.200   1.587  -0.206  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.540   2.874  -0.630  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.654   3.900  -0.461  1.00  0.00           C  
HETATM   21  C   UNL     1       0.582   3.674   0.130  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.887   0.294  -0.225  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.482  -1.426  -0.923  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.343   0.444   0.255  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.037  -0.821   0.551  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.916  -3.245  -0.124  1.00  0.00           C  
HETATM   27  H   UNL     1       5.820   0.712   0.022  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.415   0.536  -1.714  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.515   5.820  -0.106  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.119   5.825  -1.211  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.696   5.221  -1.773  1.00  0.00           H  
HETATM   32  H   UNL     1       3.924   0.591   1.589  1.00  0.00           H  
HETATM   33  H   UNL     1       3.708  -1.769  -2.729  1.00  0.00           H  
HETATM   34  H   UNL     1       5.710  -0.463  -2.138  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.274  -1.650   0.467  1.00  0.00           H  
HETATM   36  H   UNL     1       1.902   2.249   1.013  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.500   3.056  -1.090  1.00  0.00           H  
HETATM   38  H   UNL     1       1.271   4.496   0.257  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.881   0.850   1.155  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.685  -3.409  -0.879  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.071  -3.906  -0.317  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.325  -3.456   0.863  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.029   1.166  -0.186  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.782  -0.930   1.163  1.00  0.00           H  
CONECT    1   10    7    9    9                                       
CONECT    2   13   13    9   27                                       
CONECT    3   23   22   24   28                                       
CONECT    4   23   23   26   25                                       
CONECT    5   20   29   30   31                                       
CONECT    6    7    7                                                 
CONECT    7    8    8    1   14                                       
CONECT    7    6    6                                                 
CONECT    8    7    7                                                 
CONECT    9    1    1    2   32                                       
CONECT   10   11   12   12    1                                       
CONECT   11   10                                                      
CONECT   12   10   10   13   33                                       
CONECT   13   12    2    2   34                                       
CONECT   14   15    7   16                                            
CONECT   15   22   22   14   35                                       
CONECT   16   14   18   18   17                                       
CONECT   17   16   21   21   36                                       
CONECT   18   22   16   16   19                                       
CONECT   19   18   20   20   37                                       
CONECT   20   19   19   21    5                                       
CONECT   21   17   17   20   38                                       
CONECT   22   15   15    3   18                                       
CONECT   23    3    4    4                                            
CONECT   24    3   25   39   43                                       
CONECT   25    4   24   44                                            
CONECT   26    4   40   41   42                                       
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    9                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   17                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   24                                                      
CONECT   40   26                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
