COMPND    HMDB0040939
HETATM    1  C1  UNL     1       3.644  -0.046   0.533  1.00  0.00           C  
HETATM    2  S1  UNL     1       2.691  -1.314  -0.342  1.00  0.00           S  
HETATM    3  S2  UNL     1       1.232  -0.507  -1.624  1.00  0.00           S  
HETATM    4  C2  UNL     1      -0.336  -0.253  -0.835  1.00  0.00           C  
HETATM    5  C3  UNL     1      -1.337  -1.186  -0.787  1.00  0.00           C  
HETATM    6  C4  UNL     1      -2.505  -0.861  -0.143  1.00  0.00           C  
HETATM    7  C5  UNL     1      -2.714   0.368   0.459  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.718   1.303   0.414  1.00  0.00           C  
HETATM    9  C7  UNL     1      -0.542   0.990  -0.229  1.00  0.00           C  
HETATM   10  H1  UNL     1       3.940   0.790  -0.092  1.00  0.00           H  
HETATM   11  H2  UNL     1       2.956   0.368   1.325  1.00  0.00           H  
HETATM   12  H3  UNL     1       4.458  -0.550   1.074  1.00  0.00           H  
HETATM   13  H4  UNL     1      -1.161  -2.147  -1.263  1.00  0.00           H  
HETATM   14  H5  UNL     1      -3.305  -1.587  -0.097  1.00  0.00           H  
HETATM   15  H6  UNL     1      -3.649   0.618   0.970  1.00  0.00           H  
HETATM   16  H7  UNL     1      -1.896   2.258   0.888  1.00  0.00           H  
HETATM   17  H8  UNL     1       0.241   1.755  -0.252  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3
CONECT    3    4
CONECT    4    5    5    9
CONECT    5    6   13
CONECT    6    7    7   14
CONECT    7    8   15
CONECT    8    9    9   16
CONECT    9   17
END