COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.520  -0.992   1.472  1.00  0.00           N  
HETATM    2  S   UNL     1       3.109  -0.661  -0.097  1.00  0.00           S  
HETATM    3  O   UNL     1       4.178   0.103  -0.639  1.00  0.00           O  
HETATM    4  O   UNL     1       2.665  -1.886  -0.663  1.00  0.00           O  
HETATM    5  C   UNL     1       1.707   0.405  -0.055  1.00  0.00           C  
HETATM    6  C   UNL     1       0.434  -0.130  -0.045  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.671   0.711  -0.012  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.492   2.088   0.011  1.00  0.00           C  
HETATM    9  C   UNL     1       0.784   2.617   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.882   1.777  -0.027  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.963   0.172  -0.002  1.00  0.00           N  
HETATM   12  N   UNL     1      -2.248  -1.189  -0.022  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.136  -2.806  -0.023  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.498  -1.441  -0.008  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.221  -0.111   0.028  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.096   0.905   0.035  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.192   2.114   0.061  1.00  0.00           O  
HETATM   18  H   UNL     1       3.005  -0.610   2.200  1.00  0.00           H  
HETATM   19  H   UNL     1       4.273  -1.573   1.664  1.00  0.00           H  
HETATM   20  H   UNL     1       0.298  -1.201  -0.063  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.349   2.745   0.036  1.00  0.00           H  
HETATM   22  H   UNL     1       0.925   3.688   0.017  1.00  0.00           H  
HETATM   23  H   UNL     1       2.879   2.193  -0.031  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.359  -3.570  -0.049  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.741  -2.935   0.875  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.770  -2.902  -0.905  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.846   0.009  -0.857  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.819  -0.023   0.936  1.00  0.00           H  
CONECT    1    2   18   19                                            
CONECT    2    1    4    4    5                                       
CONECT    2    3    3                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6    6   10                                       
CONECT    6    5    5    7   20                                       
CONECT    7    6   11    8    8                                       
CONECT    8    7    7    9   21                                       
CONECT    9    8   10   10   22                                       
CONECT   10    5    9    9   23                                       
CONECT   11    7   16   12                                            
CONECT   12   11   14   14                                            
CONECT   13   14   24   25   26                                       
CONECT   14   12   12   13   15                                       
CONECT   15   14   16   27   28                                       
CONECT   16   11   15   17   17                                       
CONECT   17   16   16                                                 
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    6                                                      
CONECT   21    8                                                      
CONECT   22    9                                                      
CONECT   23   10                                                      
CONECT   24   13                                                      
CONECT   25   13                                                      
CONECT   26   13                                                      
CONECT   27   15                                                      
CONECT   28   15                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
