COMPND    HMDB0006116
HETATM    1  O1  UNL     1       2.983   2.212  -0.696  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.586   1.462   0.110  1.00  0.00           C  
HETATM    3  O2  UNL     1       4.915   1.626   0.465  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.840   0.337   0.718  1.00  0.00           C  
HETATM    5  N1  UNL     1       1.470   0.303   0.247  1.00  0.00           N  
HETATM    6  C3  UNL     1       0.553  -0.684   0.685  1.00  0.00           C  
HETATM    7  O3  UNL     1       0.945  -1.549   1.503  1.00  0.00           O  
HETATM    8  C4  UNL     1      -0.826  -0.746   0.232  1.00  0.00           C  
HETATM    9  C5  UNL     1      -1.672  -1.732   0.695  1.00  0.00           C  
HETATM   10  C6  UNL     1      -2.982  -1.808   0.277  1.00  0.00           C  
HETATM   11  C7  UNL     1      -3.507  -0.896  -0.627  1.00  0.00           C  
HETATM   12  C8  UNL     1      -2.674   0.098  -1.101  1.00  0.00           C  
HETATM   13  O4  UNL     1      -3.189   1.009  -2.000  1.00  0.00           O  
HETATM   14  C9  UNL     1      -1.364   0.160  -0.673  1.00  0.00           C  
HETATM   15  H1  UNL     1       5.344   2.523   0.659  1.00  0.00           H  
HETATM   16  H2  UNL     1       3.302  -0.630   0.441  1.00  0.00           H  
HETATM   17  H3  UNL     1       2.887   0.488   1.826  1.00  0.00           H  
HETATM   18  H4  UNL     1       1.187   1.040  -0.433  1.00  0.00           H  
HETATM   19  H5  UNL     1      -1.284  -2.469   1.412  1.00  0.00           H  
HETATM   20  H6  UNL     1      -3.593  -2.607   0.680  1.00  0.00           H  
HETATM   21  H7  UNL     1      -4.545  -0.963  -0.952  1.00  0.00           H  
HETATM   22  H8  UNL     1      -3.631   1.877  -1.740  1.00  0.00           H  
HETATM   23  H9  UNL     1      -0.743   0.947  -1.062  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   15
CONECT    4    5   16   17
CONECT    5    6   18
CONECT    6    7    7    8
CONECT    8    9    9   14
CONECT    9   10   19
CONECT   10   11   11   20
CONECT   11   12   21
CONECT   12   13   14   14
CONECT   13   22
CONECT   14   23
END