COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.160   0.712   0.321  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.856   1.110  -0.374  1.00  0.00           C  
HETATM    3  C   UNL     1       0.236   0.094  -0.031  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.588  -0.677  -0.157  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.497  -1.693   0.186  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.193  -1.295  -0.508  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.428   2.499   0.104  1.00  0.00           C  
HETATM    8  O   UNL     1       1.454   0.466  -0.679  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.391   3.466  -0.318  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.179   1.661   0.001  1.00  0.00           O  
HETATM   11  O   UNL     1      -3.806  -1.049   0.492  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.896  -2.991  -0.260  1.00  0.00           O  
HETATM   13  S   UNL     1       2.705   0.156   0.129  1.00  0.00           S  
HETATM   14  O   UNL     1       3.789   0.764  -0.561  1.00  0.00           O  
HETATM   15  O   UNL     1       2.388   0.441   1.484  1.00  0.00           O  
HETATM   16  O   UNL     1       2.933  -1.347   0.047  1.00  0.00           O  
HETATM   17  H   UNL     1      -2.006   0.694   1.400  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.010   1.128  -1.453  1.00  0.00           H  
HETATM   19  H   UNL     1       0.389   0.076   1.048  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.742  -0.659  -1.236  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.343  -1.711   1.265  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.346  -1.277  -1.587  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.360   2.505   1.192  1.00  0.00           H  
HETATM   24  H   UNL     1       0.545   2.746  -0.322  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.184   4.372  -0.050  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.035   1.471   0.408  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.137  -1.921   0.236  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.718  -3.308   0.140  1.00  0.00           H  
HETATM   29  O   UNL     1       0.827  -2.244  -0.188  1.00  0.00           O  
HETATM   30  H   UNL     1       3.711  -1.654   0.532  1.00  0.00           H  
HETATM   31  H   UNL     1       0.622  -3.148  -0.463  1.00  0.00           H  
CONECT    1    4    2   10   17                                       
CONECT    2    3    1    7   18                                       
CONECT    3    6    8    2   19                                       
CONECT    4    5   11    1   20                                       
CONECT    5   12    6    4   21                                       
CONECT    6    5    3   22   29                                       
CONECT    7    2    9   23   24                                       
CONECT    8   13    3                                                 
CONECT    9    7   25                                                 
CONECT   10    1   26                                                 
CONECT   11    4   27                                                 
CONECT   12    5   28                                                 
CONECT   13   14   14    8   15                                       
CONECT   13   15   16                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   13   30                                                 
CONECT   17    1                                                      
CONECT   18    2                                                      
CONECT   19    3                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25    9                                                      
CONECT   26   10                                                      
CONECT   27   11                                                      
CONECT   28   12                                                      
CONECT   29    6   31                                                 
CONECT   30   16                                                      
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
