COMPND    HMDB0014931
HETATM    1 CL1  UNL     1      -3.803   2.099   0.315  1.00  0.00          CL  
HETATM    2  C1  UNL     1      -2.447   1.031   0.019  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.371   0.188  -1.063  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.288  -0.650  -1.279  1.00  0.00           C  
HETATM    5 CL2  UNL     1      -1.296  -1.690  -2.701  1.00  0.00          CL  
HETATM    6  C4  UNL     1      -0.236  -0.660  -0.394  1.00  0.00           C  
HETATM    7  O1  UNL     1       0.848  -1.461  -0.558  1.00  0.00           O  
HETATM    8  C5  UNL     1       1.963  -1.552   0.270  1.00  0.00           C  
HETATM    9  C6  UNL     1       2.664  -0.250   0.375  1.00  0.00           C  
HETATM   10  C7  UNL     1       3.246   0.802   0.476  1.00  0.00           C  
HETATM   11  I1  UNL     1       4.280   2.605   0.660  1.00  0.00           I  
HETATM   12  C8  UNL     1      -0.298   0.178   0.693  1.00  0.00           C  
HETATM   13  C9  UNL     1      -1.389   1.017   0.904  1.00  0.00           C  
HETATM   14 CL3  UNL     1      -1.436   2.060   2.281  1.00  0.00          CL  
HETATM   15  H1  UNL     1      -3.189   0.184  -1.767  1.00  0.00           H  
HETATM   16  H2  UNL     1       1.603  -1.776   1.317  1.00  0.00           H  
HETATM   17  H3  UNL     1       2.659  -2.350   0.018  1.00  0.00           H  
HETATM   18  H4  UNL     1       0.489   0.225   1.429  1.00  0.00           H  
CONECT    1    2
CONECT    2    3    3   13
CONECT    3    4   15
CONECT    4    5    6    6
CONECT    6    7   12
CONECT    7    8
CONECT    8    9   16   17
CONECT    9   10   10   10
CONECT   10   11
CONECT   12   13   13   18
CONECT   13   14
END