COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.254   2.220  -0.731  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.207   1.341   0.173  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.705   1.737   1.201  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.104  -0.138  -0.093  1.00  0.00           C  
HETATM    5  C   UNL     1       1.144  -0.695   0.596  1.00  0.00           C  
HETATM    6  C   UNL     1       2.394  -0.081  -0.038  1.00  0.00           C  
HETATM    7  C   UNL     1       3.634  -0.540   0.731  1.00  0.00           C  
HETATM    8  C   UNL     1       2.501  -0.533  -1.496  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.346  -0.843   0.454  1.00  0.00           C  
HETATM   10  S   UNL     1      -2.826  -0.177  -0.356  1.00  0.00           S  
HETATM   11  C   UNL     1      -1.245  -2.344   0.176  1.00  0.00           C  
HETATM   12  H   UNL     1       0.165   3.159  -0.516  1.00  0.00           H  
HETATM   13  H   UNL     1      -0.032  -0.310  -1.168  1.00  0.00           H  
HETATM   14  H   UNL     1       1.114  -0.445   1.657  1.00  0.00           H  
HETATM   15  H   UNL     1       1.171  -1.778   0.478  1.00  0.00           H  
HETATM   16  H   UNL     1       2.324   1.006   0.001  1.00  0.00           H  
HETATM   17  H   UNL     1       3.703  -1.627   0.692  1.00  0.00           H  
HETATM   18  H   UNL     1       4.524  -0.103   0.279  1.00  0.00           H  
HETATM   19  H   UNL     1       3.557  -0.218   1.770  1.00  0.00           H  
HETATM   20  H   UNL     1       1.617  -0.206  -2.044  1.00  0.00           H  
HETATM   21  H   UNL     1       3.391  -0.096  -1.947  1.00  0.00           H  
HETATM   22  H   UNL     1       2.570  -1.620  -1.534  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.415  -0.676   1.529  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.635  -0.500  -1.648  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.356  -2.745   0.663  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.130  -2.846   0.566  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.177  -2.511  -0.899  1.00  0.00           H  
CONECT    1    2   12                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    9    5   13                                       
CONECT    5    6    4   14   15                                       
CONECT    6    8    5    7   16                                       
CONECT    7    6   17   18   19                                       
CONECT    8    6   20   21   22                                       
CONECT    9   10    4   11   23                                       
CONECT   10    9   24                                                 
CONECT   11    9   25   26   27                                       
CONECT   12    1                                                      
CONECT   13    4                                                      
CONECT   14    5                                                      
CONECT   15    5                                                      
CONECT   16    6                                                      
CONECT   17    7                                                      
CONECT   18    7                                                      
CONECT   19    7                                                      
CONECT   20    8                                                      
CONECT   21    8                                                      
CONECT   22    8                                                      
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
