COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       2.177   0.625  -0.018  1.00  0.00           S  
HETATM    2  O   UNL     1       2.569   0.789  -1.374  1.00  0.00           O  
HETATM    3  O   UNL     1       1.725   1.699   0.796  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.049   1.546  -0.442  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.060   0.734   0.376  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.909  -0.738  -0.015  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.450  -1.117  -0.011  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.125  -2.464  -0.011  1.00  0.00           C  
HETATM    9  C   UNL     1       0.197  -2.866  -0.013  1.00  0.00           C  
HETATM   10  C   UNL     1       1.205  -1.919  -0.017  1.00  0.00           C  
HETATM   11  C   UNL     1       0.889  -0.577  -0.014  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.445  -0.165  -0.008  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.480   1.210   0.063  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.698   1.205   0.010  1.00  0.00           N  
HETATM   15  H   UNL     1      -2.153   1.302  -1.499  1.00  0.00           H  
HETATM   16  H   UNL     1      -2.226   2.611  -0.294  1.00  0.00           H  
HETATM   17  H   UNL     1      -2.856   0.855   1.440  1.00  0.00           H  
HETATM   18  H   UNL     1      -3.448  -1.360   0.700  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.322  -0.892  -1.012  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.910  -3.205  -0.009  1.00  0.00           H  
HETATM   21  H   UNL     1       0.442  -3.917  -0.012  1.00  0.00           H  
HETATM   22  H   UNL     1       2.239  -2.231  -0.020  1.00  0.00           H  
HETATM   23  H   UNL     1      -5.196   0.612   0.626  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.582   2.258   0.343  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.674   1.098  -1.004  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.002   1.709  -0.518  1.00  0.00           H  
HETATM   27  O   UNL     1       3.368   0.012   0.703  1.00  0.00           O  
HETATM   28  H   UNL     1       4.138   0.595   0.758  1.00  0.00           H  
CONECT    1   11    2    2    3                                       
CONECT    1    3   27                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    5   14   15   16                                       
CONECT    5   13    6    4   17                                       
CONECT    6    5    7   18   19                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   20                                       
CONECT    9    8   10   10   21                                       
CONECT   10    9    9   11   22                                       
CONECT   11   12   12   10    1                                       
CONECT   12    7   14   11   11                                       
CONECT   13    5   23   24   25                                       
CONECT   14    4   12   26                                            
CONECT   15    4                                                      
CONECT   16    4                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19    6                                                      
CONECT   20    8                                                      
CONECT   21    9                                                      
CONECT   22   10                                                      
CONECT   23   13                                                      
CONECT   24   13                                                      
CONECT   25   13                                                      
CONECT   26   14                                                      
CONECT   27    1   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
