COMPND    HMDB0246028
HETATM    1  O1  UNL     1      -1.978   1.626   0.207  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.600   0.633  -0.236  1.00  0.00           C  
HETATM    3  O2  UNL     1      -3.747   0.898  -0.974  1.00  0.00           O  
HETATM    4  C2  UNL     1      -2.193  -0.774  -0.024  1.00  0.00           C  
HETATM    5  O3  UNL     1      -1.028  -0.954   0.696  1.00  0.00           O  
HETATM    6  C3  UNL     1       0.239  -0.539   0.417  1.00  0.00           C  
HETATM    7  C4  UNL     1       0.580   0.171  -0.714  1.00  0.00           C  
HETATM    8  C5  UNL     1       1.887   0.570  -0.949  1.00  0.00           C  
HETATM    9  C6  UNL     1       2.911   0.282  -0.072  1.00  0.00           C  
HETATM   10 CL1  UNL     1       4.558   0.797  -0.390  1.00  0.00          CL  
HETATM   11  C7  UNL     1       2.574  -0.429   1.062  1.00  0.00           C  
HETATM   12 CL2  UNL     1       3.856  -0.809   2.193  1.00  0.00          CL  
HETATM   13  C8  UNL     1       1.278  -0.830   1.304  1.00  0.00           C  
HETATM   14  H1  UNL     1      -4.256   1.765  -0.924  1.00  0.00           H  
HETATM   15  H2  UNL     1      -3.033  -1.286   0.512  1.00  0.00           H  
HETATM   16  H3  UNL     1      -2.061  -1.290  -1.017  1.00  0.00           H  
HETATM   17  H4  UNL     1      -0.189   0.430  -1.459  1.00  0.00           H  
HETATM   18  H5  UNL     1       2.112   1.122  -1.842  1.00  0.00           H  
HETATM   19  H6  UNL     1       1.091  -1.381   2.209  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   14
CONECT    4    5   15   16
CONECT    5    6
CONECT    6    7    7   13
CONECT    7    8   17
CONECT    8    9    9   18
CONECT    9   10   11
CONECT   11   12   13   13
CONECT   13   19
END