COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.676  -3.574  -3.912  1.00  0.00           O  
HETATM    2  C   UNL     1       2.059  -2.420  -3.180  1.00  0.00           C  
HETATM    3  C   UNL     1       1.538  -2.501  -1.747  1.00  0.00           C  
HETATM    4  C   UNL     1       0.024  -2.346  -1.574  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.338  -2.690  -0.233  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.532  -0.954  -1.873  1.00  0.00           C  
HETATM    7  C   UNL     1       0.160   0.150  -1.074  1.00  0.00           C  
HETATM    8  C   UNL     1       1.643   0.215  -1.394  1.00  0.00           C  
HETATM    9  S   UNL     1       2.505  -1.269  -0.781  1.00  0.00           S1+
HETATM   10  C   UNL     1       3.869  -1.239  -2.027  1.00  0.00           C  
HETATM   11  C   UNL     1       3.578  -2.329  -3.053  1.00  0.00           C  
HETATM   12  O   UNL     1       4.105  -3.571  -2.586  1.00  0.00           O  
HETATM   13  H   UNL     1       2.455  -3.857  -4.420  1.00  0.00           H  
HETATM   14  H   UNL     1       1.673  -1.544  -3.711  1.00  0.00           H  
HETATM   15  H   UNL     1       1.816  -3.472  -1.316  1.00  0.00           H  
HETATM   16  H   UNL     1      -0.487  -3.071  -2.218  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.885  -1.962   0.096  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.601  -0.931  -1.627  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.446  -0.740  -2.945  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.302   1.111  -1.332  1.00  0.00           H  
HETATM   21  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   22  H   UNL     1       1.790   0.344  -2.470  1.00  0.00           H  
HETATM   23  H   UNL     1       2.100   1.073  -0.892  1.00  0.00           H  
HETATM   24  H   UNL     1       4.801  -1.425  -1.485  1.00  0.00           H  
HETATM   25  H   UNL     1       3.918  -0.249  -2.487  1.00  0.00           H  
HETATM   26  H   UNL     1       4.059  -2.125  -4.014  1.00  0.00           H  
HETATM   27  H   UNL     1       3.876  -3.630  -1.646  1.00  0.00           H  
CONECT    1    2   13                                                 
CONECT    2    1    3   11   14                                       
CONECT    3    2    4    9   15                                       
CONECT    4    3    5    6   16                                       
CONECT    5    4   17                                                 
CONECT    6    4    7   18   19                                       
CONECT    7    6    8   20   21                                       
CONECT    8    7    9   22   23                                       
CONECT    9    3    8   10                                            
CONECT   10    9   11   24   25                                       
CONECT   11    2   10   12   26                                       
CONECT   12   11   27                                                 
CONECT   13    1                                                      
CONECT   14    2                                                      
CONECT   15    3                                                      
CONECT   16    4                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19    6                                                      
CONECT   20    7                                                      
CONECT   21    7                                                      
CONECT   22    8                                                      
CONECT   23    8                                                      
CONECT   24   10                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   12                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
