COMPND    HMDB0032846
HETATM    1  C1  UNL     1       3.189   0.753  -0.668  1.00  0.00           C  
HETATM    2  O1  UNL     1       2.579  -0.227   0.144  1.00  0.00           O  
HETATM    3  C2  UNL     1       1.178  -0.285   0.213  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.378   0.583  -0.484  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.006   0.476  -0.375  1.00  0.00           C  
HETATM    6  O2  UNL     1      -1.971   1.171  -0.928  1.00  0.00           O  
HETATM    7  C5  UNL     1      -3.131   0.697  -0.522  1.00  0.00           C  
HETATM    8  O3  UNL     1      -4.246   1.164  -0.887  1.00  0.00           O  
HETATM    9  N1  UNL     1      -2.933  -0.333   0.316  1.00  0.00           N  
HETATM   10  C6  UNL     1      -1.609  -0.485   0.420  1.00  0.00           C  
HETATM   11  C7  UNL     1      -0.762  -1.341   1.107  1.00  0.00           C  
HETATM   12  C8  UNL     1       0.613  -1.255   1.015  1.00  0.00           C  
HETATM   13 CL1  UNL     1       1.661  -2.359   1.901  1.00  0.00          CL  
HETATM   14  H1  UNL     1       4.293   0.724  -0.484  1.00  0.00           H  
HETATM   15  H2  UNL     1       2.973   0.603  -1.755  1.00  0.00           H  
HETATM   16  H3  UNL     1       2.820   1.773  -0.427  1.00  0.00           H  
HETATM   17  H4  UNL     1       0.855   1.324  -1.098  1.00  0.00           H  
HETATM   18  H5  UNL     1      -3.665  -0.899   0.791  1.00  0.00           H  
HETATM   19  H6  UNL     1      -1.217  -2.085   1.723  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3
CONECT    3    4    4   12
CONECT    4    5   17
CONECT    5    6   10   10
CONECT    6    7
CONECT    7    8    8    9
CONECT    9   10   18
CONECT   10   11
CONECT   11   12   12   19
CONECT   12   13
END