COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.420   1.827  -0.002  1.00  0.00           C  
HETATM    2  O   UNL     1       4.923   0.487  -0.001  1.00  0.00           O  
HETATM    3  C   UNL     1       3.573   0.331  -0.001  1.00  0.00           C  
HETATM    4  C   UNL     1       3.030  -0.943   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.649  -1.100   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.081  -2.360   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.250  -2.525   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.705  -3.655   0.001  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.148  -1.418   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1      -2.905  -1.400   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1      -2.974   0.355  -0.001  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.084   1.213   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.904   2.575   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.623   3.111   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.533   2.295   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.690   0.892   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.648  -0.138   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.826   0.034   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.389   1.311   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.748   1.452   0.005  1.00  0.00           C  
HETATM   21  H   UNL     1       5.065   2.346  -0.892  1.00  0.00           H  
HETATM   22  H   UNL     1       5.066   2.346   0.888  1.00  0.00           H  
HETATM   23  H   UNL     1       6.510   1.809  -0.002  1.00  0.00           H  
HETATM   24  H   UNL     1       3.675  -1.809   0.000  1.00  0.00           H  
HETATM   25  H   UNL     1       1.656  -3.141   0.000  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.082   0.802  -0.001  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.762   3.231   0.000  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.490   4.183   0.000  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.542   2.724   0.000  1.00  0.00           H  
HETATM   30  H   UNL     1       0.753   2.185  -0.001  1.00  0.00           H  
HETATM   31  H   UNL     1       3.185   2.440   0.009  1.00  0.00           H  
CONECT    1    2   21   22   23                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   20                                       
CONECT    4    3    3    5   24                                       
CONECT    5    4    6   18   18                                       
CONECT    6    5    7   25                                            
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   17   17                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   16   16                                       
CONECT   12   11   13   13   26                                       
CONECT   13   12   12   14   27                                       
CONECT   14   13   15   15   28                                       
CONECT   15   14   14   16   29                                       
CONECT   16   11   11   15   17                                       
CONECT   17    9    9   16   18                                       
CONECT   18    5    5   17   19                                       
CONECT   19   18   20   20   30                                       
CONECT   20    3   19   19   31                                       
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    4                                                      
CONECT   25    6                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
CONECT   28   14                                                      
CONECT   29   15                                                      
CONECT   30   19                                                      
CONECT   31   20                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
