COMPND    HMDB0003320
HETATM    1  O1  UNL     1       2.096  -2.090   0.951  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.356  -0.934   0.547  1.00  0.00           C  
HETATM    3  O2  UNL     1       3.685  -0.549   0.495  1.00  0.00           O  
HETATM    4  C2  UNL     1       1.324   0.007   0.136  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.484   1.303  -0.326  1.00  0.00           C  
HETATM    6  N1  UNL     1       0.275   1.828  -0.598  1.00  0.00           N  
HETATM    7  C4  UNL     1      -0.698   0.940  -0.339  1.00  0.00           C  
HETATM    8  C5  UNL     1      -2.074   0.980  -0.444  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.781  -0.145  -0.082  1.00  0.00           C  
HETATM   10  C7  UNL     1      -2.155  -1.290   0.377  1.00  0.00           C  
HETATM   11  C8  UNL     1      -0.785  -1.308   0.475  1.00  0.00           C  
HETATM   12  C9  UNL     1      -0.040  -0.202   0.121  1.00  0.00           C  
HETATM   13  H1  UNL     1       4.086  -0.489  -0.454  1.00  0.00           H  
HETATM   14  H2  UNL     1       2.467   1.766  -0.429  1.00  0.00           H  
HETATM   15  H3  UNL     1       0.084   2.785  -0.959  1.00  0.00           H  
HETATM   16  H4  UNL     1      -2.514   1.893  -0.806  1.00  0.00           H  
HETATM   17  H5  UNL     1      -3.850  -0.135  -0.156  1.00  0.00           H  
HETATM   18  H6  UNL     1      -2.724  -2.171   0.660  1.00  0.00           H  
HETATM   19  H7  UNL     1      -0.238  -2.187   0.831  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   13
CONECT    4    5    5   12
CONECT    5    6   14
CONECT    6    7   15
CONECT    7    8    8   12
CONECT    8    9   16
CONECT    9   10   10   17
CONECT   10   11   18
CONECT   11   12   12   19
END