COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.326  -0.061  -1.198  1.00  0.00           C  
HETATM    2  C   UNL     1       0.890  -0.321  -0.823  1.00  0.00           C  
HETATM    3  C   UNL     1       0.463  -1.622  -0.599  1.00  0.00           C  
HETATM    4  C   UNL     1       0.014   0.737  -0.700  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.136  -1.059   0.247  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.963   0.012   0.356  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.467   1.310   0.104  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.638  -2.455   0.510  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.834  -1.877  -0.253  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.738  -0.818  -0.123  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.311   0.501  -0.354  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.220   2.262   0.205  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.186   1.522  -0.234  1.00  0.00           O  
HETATM   14  S   UNL     1       3.308   0.188   0.307  1.00  0.00           S  
HETATM   15  O   UNL     1       2.944   1.404   0.945  1.00  0.00           O  
HETATM   16  O   UNL     1       3.409  -1.024   1.043  1.00  0.00           O  
HETATM   17  N   UNL     1       4.846   0.461  -0.244  1.00  0.00           N  
HETATM   18  H   UNL     1       2.718  -0.915  -1.750  1.00  0.00           H  
HETATM   19  H   UNL     1       2.383   0.832  -1.821  1.00  0.00           H  
HETATM   20  H   UNL     1       1.162  -2.440  -0.700  1.00  0.00           H  
HETATM   21  H   UNL     1       0.357   1.747  -0.873  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.999  -0.130   0.627  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.694  -2.417   0.777  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.512  -3.062  -0.387  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.071  -2.897   1.330  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.158  -2.892  -0.076  1.00  0.00           H  
HETATM   27  H   UNL     1       5.450   1.025   0.264  1.00  0.00           H  
HETATM   28  H   UNL     1       5.143   0.056  -1.074  1.00  0.00           H  
CONECT    1    2   14   18   19                                       
CONECT    2    3    4    4    1                                       
CONECT    3    9    9    2   20                                       
CONECT    4   11    2    2   21                                       
CONECT    5    8    6    6   10                                       
CONECT    6    5    5    7   22                                       
CONECT    7    6   12   12   13                                       
CONECT    8    5   23   24   25                                       
CONECT    9   10    3    3   26                                       
CONECT   10    5    9   11   11                                       
CONECT   11   10   10   13    4                                       
CONECT   12    7    7                                                 
CONECT   13    7   11                                                 
CONECT   14    1   15   15   17                                       
CONECT   14   16   16                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   27   28                                            
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    3                                                      
CONECT   21    4                                                      
CONECT   22    6                                                      
CONECT   23    8                                                      
CONECT   24    8                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27   17                                                      
CONECT   28   17                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
