COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.346   1.267  -0.289  1.00  0.00           C  
HETATM    2  C   UNL     1       2.691  -1.254   0.636  1.00  0.00           C  
HETATM    3  C   UNL     1       1.457  -0.982   0.312  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.135  -1.005  -0.760  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.921   0.072   0.466  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.108   0.920   0.130  1.00  0.00           C  
HETATM    7  C   UNL     1       1.161   0.279  -0.436  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.291   0.033  -0.162  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.611  -0.506  -0.072  1.00  0.00           C  
HETATM   10  O   UNL     1       4.290  -0.397  -1.166  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.246   1.373  -0.272  1.00  0.00           C  
HETATM   12  S   UNL     1       3.708   0.078   0.041  1.00  0.00           S  
HETATM   13  O   UNL     1       4.498   0.480   1.151  1.00  0.00           O  
HETATM   14  O   UNL     1      -2.518   0.397   0.243  1.00  0.00           O  
HETATM   15  C   UNL     1      -6.052  -0.935   0.245  1.00  0.00           C  
HETATM   16  H   UNL     1       2.517   1.821  -1.212  1.00  0.00           H  
HETATM   17  H   UNL     1       2.197   1.943   0.553  1.00  0.00           H  
HETATM   18  H   UNL     1       3.033  -2.129   1.168  1.00  0.00           H  
HETATM   19  H   UNL     1       0.659  -1.658   0.581  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.819   0.275   1.532  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.004   1.044   1.207  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.261   1.894  -0.335  1.00  0.00           H  
HETATM   23  H   UNL     1       1.010   0.048  -1.490  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.425  -1.476   0.390  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.683  -0.626  -1.153  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.179   1.785   0.111  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.440   2.090  -0.114  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.348   1.170  -1.338  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.154  -1.138  -0.821  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.821  -1.862   0.771  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.985  -0.523   0.628  1.00  0.00           H  
CONECT    1    7   12   16   17                                       
CONECT    2    3    3   12   18                                       
CONECT    3    2    2    7   19                                       
CONECT    4    8    8                                                 
CONECT    5   15    9   11   20                                       
CONECT    6    8    7   21   22                                       
CONECT    7    3    6    1   23                                       
CONECT    8    4    4   14    6                                       
CONECT    9    5   14   24   25                                       
CONECT   10   12   12                                                 
CONECT   11    5   26   27   28                                       
CONECT   12    2   10   10    1                                       
CONECT   12   13   13                                                 
CONECT   13   12   12                                                 
CONECT   14    9    8                                                 
CONECT   15    5   29   30   31                                       
CONECT   16    1                                                      
CONECT   17    1                                                      
CONECT   18    2                                                      
CONECT   19    3                                                      
CONECT   20    5                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    9                                                      
CONECT   25    9                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
CONECT   28   11                                                      
CONECT   29   15                                                      
CONECT   30   15                                                      
CONECT   31   15                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
