COMPND    HMDB0060603
HETATM    1  C1  UNL     1       4.647   0.863   0.205  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.708  -0.293   0.136  1.00  0.00           C  
HETATM    3  O1  UNL     1       3.960  -1.313   0.810  1.00  0.00           O  
HETATM    4  N1  UNL     1       2.549  -0.242  -0.677  1.00  0.00           N  
HETATM    5  S1  UNL     1       1.501  -1.574  -0.732  1.00  0.00           S  
HETATM    6  O2  UNL     1       2.167  -2.835  -0.266  1.00  0.00           O  
HETATM    7  O3  UNL     1       1.104  -1.797  -2.173  1.00  0.00           O  
HETATM    8  C3  UNL     1       0.003  -1.320   0.185  1.00  0.00           C  
HETATM    9  C4  UNL     1      -0.691  -0.147  -0.407  1.00  0.00           C  
HETATM   10  N2  UNL     1      -0.342   0.643  -1.438  1.00  0.00           N  
HETATM   11  O4  UNL     1      -1.245   1.565  -1.627  1.00  0.00           O  
HETATM   12  C5  UNL     1      -2.221   1.453  -0.764  1.00  0.00           C  
HETATM   13  C6  UNL     1      -3.400   2.138  -0.512  1.00  0.00           C  
HETATM   14  C7  UNL     1      -4.209   1.707   0.530  1.00  0.00           C  
HETATM   15  C8  UNL     1      -3.891   0.640   1.312  1.00  0.00           C  
HETATM   16  C9  UNL     1      -2.717  -0.050   1.068  1.00  0.00           C  
HETATM   17  C10 UNL     1      -1.901   0.364   0.038  1.00  0.00           C  
HETATM   18  H1  UNL     1       5.622   0.567   0.636  1.00  0.00           H  
HETATM   19  H2  UNL     1       4.850   1.262  -0.812  1.00  0.00           H  
HETATM   20  H3  UNL     1       4.240   1.653   0.880  1.00  0.00           H  
HETATM   21  H4  UNL     1       2.371   0.621  -1.225  1.00  0.00           H  
HETATM   22  H5  UNL     1      -0.619  -2.234   0.159  1.00  0.00           H  
HETATM   23  H6  UNL     1       0.234  -1.152   1.275  1.00  0.00           H  
HETATM   24  H7  UNL     1      -3.652   2.978  -1.127  1.00  0.00           H  
HETATM   25  H8  UNL     1      -5.120   2.237   0.724  1.00  0.00           H  
HETATM   26  H9  UNL     1      -4.517   0.300   2.124  1.00  0.00           H  
HETATM   27  H10 UNL     1      -2.433  -0.911   1.679  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3    3    4
CONECT    4    5   21
CONECT    5    6    6    7    7
CONECT    5    8
CONECT    8    9   22   23
CONECT    9   10   10   17
CONECT   10   11
CONECT   11   12
CONECT   12   13   13   17
CONECT   13   14   24
CONECT   14   15   15   25
CONECT   15   16   26
CONECT   16   17   17   27
END