COMPND    HMDB0011622
HETATM    1  O1  UNL     1       4.006  -0.574  -1.353  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.909  -0.223  -0.887  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.715  -1.000  -1.025  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.577  -0.615  -0.481  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.756  -1.276  -0.555  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.605  -0.456   0.336  1.00  0.00           C  
HETATM    7  C6  UNL     1      -2.959  -0.149  -0.063  1.00  0.00           C  
HETATM    8  O2  UNL     1      -3.944  -0.616   0.627  1.00  0.00           O  
HETATM    9  O3  UNL     1      -3.330   0.637  -1.119  1.00  0.00           O  
HETATM   10  N1  UNL     1      -0.909   0.771   0.663  1.00  0.00           N  
HETATM   11  C7  UNL     1       0.447   0.621   0.276  1.00  0.00           C  
HETATM   12  C8  UNL     1       1.521   1.374   0.435  1.00  0.00           C  
HETATM   13  C9  UNL     1       2.853   1.049  -0.102  1.00  0.00           C  
HETATM   14  O4  UNL     1       3.847   1.690   0.066  1.00  0.00           O  
HETATM   15  H1  UNL     1       1.787  -1.946  -1.584  1.00  0.00           H  
HETATM   16  H2  UNL     1      -1.101  -1.358  -1.605  1.00  0.00           H  
HETATM   17  H3  UNL     1      -0.603  -2.309  -0.149  1.00  0.00           H  
HETATM   18  H4  UNL     1      -1.708  -1.067   1.320  1.00  0.00           H  
HETATM   19  H5  UNL     1      -2.888   1.589  -1.181  1.00  0.00           H  
HETATM   20  H6  UNL     1      -1.303   1.584   1.145  1.00  0.00           H  
HETATM   21  H7  UNL     1       1.442   2.274   1.002  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   13
CONECT    3    4    4   15
CONECT    4    5   11
CONECT    5    6   16   17
CONECT    6    7   10   18
CONECT    7    8    8    9
CONECT    9   19
CONECT   10   11   20
CONECT   11   12   12
CONECT   12   13   21
CONECT   13   14   14
END