COMPND    HMDB0040080
HETATM    1  C1  UNL     1       2.881   0.882   0.760  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.199  -0.451   0.107  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.457  -0.583  -1.210  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.978  -0.521  -0.879  1.00  0.00           C  
HETATM    5  N1  UNL     1       0.099  -1.466  -0.647  1.00  0.00           N  
HETATM    6  C5  UNL     1      -1.127  -1.176  -0.340  1.00  0.00           C  
HETATM    7  C6  UNL     1      -2.179  -2.257  -0.086  1.00  0.00           C  
HETATM    8  C7  UNL     1      -1.455   0.161  -0.269  1.00  0.00           C  
HETATM    9  C8  UNL     1      -2.769   0.797   0.086  1.00  0.00           C  
HETATM   10  C9  UNL     1      -2.387   2.113   0.752  1.00  0.00           C  
HETATM   11  S1  UNL     1       0.030   0.914  -0.654  1.00  0.00           S  
HETATM   12  H1  UNL     1       2.159   0.775   1.599  1.00  0.00           H  
HETATM   13  H2  UNL     1       2.564   1.649   0.005  1.00  0.00           H  
HETATM   14  H3  UNL     1       3.811   1.265   1.222  1.00  0.00           H  
HETATM   15  H4  UNL     1       4.296  -0.471  -0.125  1.00  0.00           H  
HETATM   16  H5  UNL     1       2.947  -1.263   0.788  1.00  0.00           H  
HETATM   17  H6  UNL     1       2.673   0.250  -1.876  1.00  0.00           H  
HETATM   18  H7  UNL     1       2.616  -1.572  -1.624  1.00  0.00           H  
HETATM   19  H8  UNL     1      -2.077  -2.591   0.948  1.00  0.00           H  
HETATM   20  H9  UNL     1      -3.180  -1.852  -0.282  1.00  0.00           H  
HETATM   21  H10 UNL     1      -2.036  -3.064  -0.836  1.00  0.00           H  
HETATM   22  H11 UNL     1      -3.363   0.150   0.767  1.00  0.00           H  
HETATM   23  H12 UNL     1      -3.268   1.043  -0.868  1.00  0.00           H  
HETATM   24  H13 UNL     1      -3.238   2.802   0.661  1.00  0.00           H  
HETATM   25  H14 UNL     1      -1.502   2.540   0.187  1.00  0.00           H  
HETATM   26  H15 UNL     1      -2.130   1.926   1.812  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3   15   16
CONECT    3    4   17   18
CONECT    4    5    5   11
CONECT    5    6
CONECT    6    7    8    8
CONECT    7   19   20   21
CONECT    8    9   11
CONECT    9   10   22   23
CONECT   10   24   25   26
END