COMPND    https://cactus.nci.nih.gov/chemical/structure/OC(=O)CCC1=C(O)C(O)=CC=C1/file?... 
AUTHOR    GENERATED BY OPEN BABEL 3.1.0
HETATM    1  O   UNL     1       4.186  -0.260  -1.111  1.00  0.00           O  
HETATM    2  C   UNL     1       3.265  -0.048  -0.158  1.00  0.00           C  
HETATM    3  O   UNL     1       3.598   0.004   1.002  1.00  0.00           O  
HETATM    4  C   UNL     1       1.817   0.125  -0.535  1.00  0.00           C  
HETATM    5  C   UNL     1       0.984   0.351   0.729  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.465   0.524   0.352  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.273  -0.588   0.179  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.760  -1.836   0.349  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.611  -0.425  -0.170  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.408  -1.513  -0.341  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.128   0.849  -0.341  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.316   1.954  -0.166  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.989   1.792   0.185  1.00  0.00           C  
HETATM   14  H   UNL     1       5.103  -0.365  -0.821  1.00  0.00           H  
HETATM   15  H   UNL     1       1.713   0.985  -1.196  1.00  0.00           H  
HETATM   16  H   UNL     1       1.465  -0.771  -1.046  1.00  0.00           H  
HETATM   17  H   UNL     1       1.087  -0.509   1.391  1.00  0.00           H  
HETATM   18  H   UNL     1       1.336   1.247   1.241  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.832  -2.171   1.253  1.00  0.00           H  
HETATM   20  H   UNL     1      -3.858  -1.801   0.466  1.00  0.00           H  
HETATM   21  H   UNL     1      -4.165   0.978  -0.612  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.720   2.947  -0.300  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.358   2.658   0.320  1.00  0.00           H  
CONECT    1    2   14                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   15   16                                       
CONECT    5    4    6   17   18                                       
CONECT    6    5    7    7   13                                       
CONECT    7    6    6    8    9                                       
CONECT    8    7   19                                                 
CONECT    9    7   10   11   11                                       
CONECT   10    9   20                                                 
CONECT   11    9    9   12   21                                       
CONECT   12   11   13   13   22                                       
CONECT   13   12   12    6   23                                       
CONECT   14    1                                                      
CONECT   15    4                                                      
CONECT   16    4                                                      
CONECT   17    5                                                      
CONECT   18    5                                                      
CONECT   19    8                                                      
CONECT   20   10                                                      
CONECT   21   11                                                      
CONECT   22   12                                                      
CONECT   23   13                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END