COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.594  -0.594  -0.013  1.00  0.00           C  
HETATM    2  C   UNL     1       1.531  -1.444   0.042  1.00  0.00           C  
HETATM    3  C   UNL     1       2.101  -2.842   0.090  1.00  0.00           C  
HETATM    4  C   UNL     1       3.832  -1.380  -0.009  1.00  0.00           C  
HETATM    5  O   UNL     1       3.547  -2.693   0.056  1.00  0.00           O  
HETATM    6  O   UNL     1       4.954  -0.912  -0.052  1.00  0.00           O  
HETATM    7  C   UNL     1       2.512   0.883  -0.073  1.00  0.00           C  
HETATM    8  C   UNL     1       3.003   1.655   0.980  1.00  0.00           C  
HETATM    9  C   UNL     1       2.924   3.032   0.918  1.00  0.00           C  
HETATM   10  C   UNL     1       2.359   3.646  -0.185  1.00  0.00           C  
HETATM   11  C   UNL     1       1.870   2.886  -1.233  1.00  0.00           C  
HETATM   12  C   UNL     1       1.950   1.509  -1.186  1.00  0.00           C  
HETATM   13  C   UNL     1       0.110  -1.073   0.054  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.420  -0.352   1.130  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.755  -0.008   1.133  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.571  -0.374   0.077  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.055  -1.088  -0.991  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.721  -1.435  -1.013  1.00  0.00           C  
HETATM   19  S   UNL     1      -4.276   0.071   0.091  1.00  0.00           S  
HETATM   20  O   UNL     1      -4.902  -0.915  -0.718  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.593   0.197   1.470  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.328   1.690  -0.725  1.00  0.00           C  
HETATM   23  H   UNL     1       1.797  -3.340   1.010  1.00  0.00           H  
HETATM   24  H   UNL     1       3.443   1.177   1.842  1.00  0.00           H  
HETATM   25  H   UNL     1       3.303   3.630   1.733  1.00  0.00           H  
HETATM   26  H   UNL     1       2.299   4.723  -0.229  1.00  0.00           H  
HETATM   27  H   UNL     1       1.430   3.371  -2.092  1.00  0.00           H  
HETATM   28  H   UNL     1       1.572   0.917  -2.006  1.00  0.00           H  
HETATM   29  H   UNL     1       0.215  -0.065   1.956  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.166   0.549   1.963  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.698  -1.370  -1.811  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.319  -1.989  -1.849  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.940   1.599  -1.740  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.357   2.046  -0.761  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.718   2.399  -0.165  1.00  0.00           H  
HETATM   36  H   UNL     1       1.763  -3.414  -0.774  1.00  0.00           H  
CONECT    1    4    2    2    7                                       
CONECT    2    3    1    1   13                                       
CONECT    3    5    2   23   36                                       
CONECT    4    5    6    6    1                                       
CONECT    5    4    3                                                 
CONECT    6    4    4                                                 
CONECT    7    1   12   12    8                                       
CONECT    8    7    9    9   24                                       
CONECT    9    8    8   10   25                                       
CONECT   10   11   11    9   26                                       
CONECT   11   12   10   10   27                                       
CONECT   12    7    7   11   28                                       
CONECT   13    2   18   18   14                                       
CONECT   14   13   15   15   29                                       
CONECT   15   14   14   16   30                                       
CONECT   16   17   17   15   19                                       
CONECT   17   18   16   16   31                                       
CONECT   18   13   13   17   32                                       
CONECT   19   16   20   20   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   33   34   35                                       
CONECT   23    3                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26   10                                                      
CONECT   27   11                                                      
CONECT   28   12                                                      
CONECT   29   14                                                      
CONECT   30   15                                                      
CONECT   31   17                                                      
CONECT   32   18                                                      
CONECT   33   22                                                      
CONECT   34   22                                                      
CONECT   35   22                                                      
CONECT   36    3                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
