COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.642  -2.155   0.339  1.00  0.00           C  
HETATM    2  S   UNL     1       4.348  -1.439  -0.712  1.00  0.00           S  
HETATM    3  C   UNL     1       3.716  -0.151   0.399  1.00  0.00           C  
HETATM    4  C   UNL     1       2.583   0.608  -0.294  1.00  0.00           C  
HETATM    5  O   UNL     1       1.455  -0.263  -0.483  1.00  0.00           O  
HETATM    6  C   UNL     1       0.612   1.493   0.834  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.153   2.699   0.760  1.00  0.00           O  
HETATM    8  C   UNL     1       2.117   1.779   0.594  1.00  0.00           C  
HETATM    9  O   UNL     1       2.289   3.026  -0.082  1.00  0.00           O  
HETATM   10  C   UNL     1       0.268   0.548  -0.345  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.892  -0.287  -0.021  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.831  -1.521   0.572  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.071  -2.013   0.728  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.992  -1.013   0.193  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.386  -0.915   0.058  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.213  -1.935   0.493  1.00  0.00           N  
HETATM   17  N   UNL     1      -4.891   0.182  -0.497  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.104   1.159  -0.913  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.794   1.110  -0.807  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.194   0.055  -0.259  1.00  0.00           C  
HETATM   21  H   UNL     1       6.374  -1.386   0.589  1.00  0.00           H  
HETATM   22  H   UNL     1       5.194  -2.540   1.255  1.00  0.00           H  
HETATM   23  H   UNL     1       6.135  -2.967  -0.194  1.00  0.00           H  
HETATM   24  H   UNL     1       3.340  -0.612   1.312  1.00  0.00           H  
HETATM   25  H   UNL     1       4.520   0.542   0.646  1.00  0.00           H  
HETATM   26  H   UNL     1       2.925   0.986  -1.257  1.00  0.00           H  
HETATM   27  H   UNL     1       0.456   0.995   1.791  1.00  0.00           H  
HETATM   28  H   UNL     1       0.106   3.241   1.518  1.00  0.00           H  
HETATM   29  H   UNL     1       2.661   1.780   1.539  1.00  0.00           H  
HETATM   30  H   UNL     1       1.926   3.710   0.498  1.00  0.00           H  
HETATM   31  H   UNL     1       0.086   1.119  -1.255  1.00  0.00           H  
HETATM   32  H   UNL     1       0.078  -2.024   0.869  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.336  -2.965   1.165  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.831  -2.730   0.896  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.174  -1.855   0.394  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.556   2.033  -1.359  1.00  0.00           H  
CONECT    1    2   21   22   23                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   24   25                                       
CONECT    4    3    5    8   26                                       
CONECT    5    4   10                                                 
CONECT    6    7    8   10   27                                       
CONECT    7    6   28                                                 
CONECT    8    4    6    9   29                                       
CONECT    9    8   30                                                 
CONECT   10    5    6   11   31                                       
CONECT   11   10   12   20                                            
CONECT   12   11   13   13   32                                       
CONECT   13   12   12   14   33                                       
CONECT   14   13   15   15   20                                       
CONECT   15   14   14   16   17                                       
CONECT   16   15   34   35                                            
CONECT   17   15   18   18                                            
CONECT   18   17   17   19   36                                       
CONECT   19   18   20   20                                            
CONECT   20   11   14   19   19                                       
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   18                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
