COMPND    HMDB0252123
HETATM    1  C1  UNL     1      -3.382   0.101   0.571  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.100   0.205  -0.238  1.00  0.00           C  
HETATM    3  O1  UNL     1      -1.225  -0.875   0.125  1.00  0.00           O  
HETATM    4  C3  UNL     1       0.053  -0.845  -0.477  1.00  0.00           C  
HETATM    5  N1  UNL     1       1.053  -0.282   0.210  1.00  0.00           N  
HETATM    6  C4  UNL     1       2.229  -0.238  -0.329  1.00  0.00           C  
HETATM    7  C5  UNL     1       3.398   0.399   0.384  1.00  0.00           C  
HETATM    8 CL1  UNL     1       3.795   1.991  -0.353  1.00  0.00          CL  
HETATM    9 CL2  UNL     1       4.827  -0.660   0.270  1.00  0.00          CL  
HETATM   10 CL3  UNL     1       3.014   0.649   2.105  1.00  0.00          CL  
HETATM   11  N2  UNL     1       2.377  -0.774  -1.548  1.00  0.00           N  
HETATM   12  S1  UNL     1       0.784  -1.338  -1.891  1.00  0.00           S  
HETATM   13  H1  UNL     1      -3.038   0.008   1.652  1.00  0.00           H  
HETATM   14  H2  UNL     1      -3.916   1.072   0.448  1.00  0.00           H  
HETATM   15  H3  UNL     1      -3.986  -0.781   0.348  1.00  0.00           H  
HETATM   16  H4  UNL     1      -2.288   0.224  -1.315  1.00  0.00           H  
HETATM   17  H5  UNL     1      -1.595   1.146   0.040  1.00  0.00           H  
CONECT    1    2   13   14   15
CONECT    2    3   16   17
CONECT    3    4
CONECT    4    5    5   12
CONECT    5    6
CONECT    6    7   11   11
CONECT    7    8    9   10
CONECT   11   12
END