COMPND    HMDB0000238
HETATM    1  C1  UNL     1      -4.322  -0.297   0.704  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.264  -0.498  -0.352  1.00  0.00           C  
HETATM    3  O1  UNL     1      -2.469  -1.579  -0.004  1.00  0.00           O  
HETATM    4  C3  UNL     1      -2.472   0.704  -0.627  1.00  0.00           C  
HETATM    5  O2  UNL     1      -3.035   1.760  -0.952  1.00  0.00           O  
HETATM    6  C4  UNL     1      -1.005   0.667  -0.519  1.00  0.00           C  
HETATM    7  N1  UNL     1      -0.424  -0.439  -0.179  1.00  0.00           N  
HETATM    8  C5  UNL     1       0.973  -0.564  -0.052  1.00  0.00           C  
HETATM    9  C6  UNL     1       1.772   0.528  -0.296  1.00  0.00           C  
HETATM   10  N2  UNL     1       3.123   0.418  -0.177  1.00  0.00           N  
HETATM   11  C7  UNL     1       3.709  -0.730   0.175  1.00  0.00           C  
HETATM   12  N3  UNL     1       5.124  -0.814   0.293  1.00  0.00           N  
HETATM   13  N4  UNL     1       2.919  -1.792   0.412  1.00  0.00           N  
HETATM   14  C8  UNL     1       1.586  -1.746   0.311  1.00  0.00           C  
HETATM   15  O3  UNL     1       0.852  -2.730   0.531  1.00  0.00           O  
HETATM   16  N5  UNL     1       1.185   1.758  -0.671  1.00  0.00           N  
HETATM   17  C9  UNL     1      -0.229   1.885  -0.800  1.00  0.00           C  
HETATM   18  H1  UNL     1      -4.954   0.583   0.480  1.00  0.00           H  
HETATM   19  H2  UNL     1      -5.005  -1.178   0.663  1.00  0.00           H  
HETATM   20  H3  UNL     1      -3.911  -0.269   1.733  1.00  0.00           H  
HETATM   21  H4  UNL     1      -3.809  -0.800  -1.286  1.00  0.00           H  
HETATM   22  H5  UNL     1      -2.116  -1.981  -0.830  1.00  0.00           H  
HETATM   23  H6  UNL     1       3.711   1.266  -0.369  1.00  0.00           H  
HETATM   24  H7  UNL     1       5.693  -1.551  -0.175  1.00  0.00           H  
HETATM   25  H8  UNL     1       5.639  -0.114   0.870  1.00  0.00           H  
HETATM   26  H9  UNL     1       1.845   2.560  -0.846  1.00  0.00           H  
HETATM   27  H10 UNL     1      -0.530   2.214  -1.831  1.00  0.00           H  
HETATM   28  H11 UNL     1      -0.587   2.739  -0.149  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3    4   21
CONECT    3   22
CONECT    4    5    5    6
CONECT    6    7    7   17
CONECT    7    8
CONECT    8    9    9   14
CONECT    9   10   16
CONECT   10   11   23
CONECT   11   12   13   13
CONECT   12   24   25
CONECT   13   14
CONECT   14   15   15
CONECT   16   17   26
CONECT   17   27   28
END