COMPND    HMDB0246403
HETATM    1  S1  UNL     1       2.842   0.332  -0.482  1.00  0.00           S  
HETATM    2  C1  UNL     1       1.081   0.122  -0.248  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.494  -1.131  -0.205  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.878  -1.257  -0.021  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.653  -0.126   0.118  1.00  0.00           C  
HETATM    6 CL1  UNL     1      -3.366  -0.382   0.345  1.00  0.00          CL  
HETATM    7  C5  UNL     1      -1.078   1.119   0.077  1.00  0.00           C  
HETATM    8  C6  UNL     1       0.282   1.240  -0.105  1.00  0.00           C  
HETATM    9  H1  UNL     1       3.479   0.093   0.772  1.00  0.00           H  
HETATM   10  H2  UNL     1       1.132  -1.989  -0.318  1.00  0.00           H  
HETATM   11  H3  UNL     1      -1.324  -2.264   0.010  1.00  0.00           H  
HETATM   12  H4  UNL     1      -1.733   1.992   0.193  1.00  0.00           H  
HETATM   13  H5  UNL     1       0.722   2.252  -0.135  1.00  0.00           H  
CONECT    1    2    9
CONECT    2    3    3    8
CONECT    3    4   10
CONECT    4    5    5   11
CONECT    5    6    7
CONECT    7    8    8   12
CONECT    8   13
END