COMPND    HMDB0013636
HETATM    1  O1  UNL     1       5.190  -1.254   1.426  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.676  -0.626   0.466  1.00  0.00           C  
HETATM    3  O2  UNL     1       5.499  -0.084  -0.528  1.00  0.00           O  
HETATM    4  C2  UNL     1       3.227  -0.439   0.349  1.00  0.00           C  
HETATM    5  C3  UNL     1       2.672   0.248  -0.702  1.00  0.00           C  
HETATM    6  C4  UNL     1       1.267   0.399  -0.764  1.00  0.00           C  
HETATM    7  C5  UNL     1       0.748   1.096  -1.918  1.00  0.00           C  
HETATM    8  O3  UNL     1       0.697   2.348  -1.898  1.00  0.00           O  
HETATM    9  O4  UNL     1       0.306   0.445  -3.057  1.00  0.00           O  
HETATM   10  C6  UNL     1       0.527  -0.152   0.236  1.00  0.00           C  
HETATM   11  C7  UNL     1       1.086  -0.844   1.294  1.00  0.00           C  
HETATM   12  N1  UNL     1       2.447  -0.961   1.305  1.00  0.00           N  
HETATM   13  C8  UNL     1       0.346  -1.449   2.390  1.00  0.00           C  
HETATM   14  O5  UNL     1       0.893  -2.064   3.320  1.00  0.00           O  
HETATM   15  C9  UNL     1      -1.091  -1.308   2.362  1.00  0.00           C  
HETATM   16  O6  UNL     1      -1.860  -1.776   3.238  1.00  0.00           O  
HETATM   17  C10 UNL     1      -1.689  -0.582   1.260  1.00  0.00           C  
HETATM   18  C11 UNL     1      -3.010  -0.266   0.950  1.00  0.00           C  
HETATM   19  C12 UNL     1      -3.056   0.454  -0.210  1.00  0.00           C  
HETATM   20  C13 UNL     1      -4.264   0.956  -0.838  1.00  0.00           C  
HETATM   21  O7  UNL     1      -4.161   1.602  -1.902  1.00  0.00           O  
HETATM   22  O8  UNL     1      -5.532   0.760  -0.326  1.00  0.00           O  
HETATM   23  N2  UNL     1      -1.762   0.591  -0.632  1.00  0.00           N  
HETATM   24  C14 UNL     1      -0.936  -0.022   0.233  1.00  0.00           C  
HETATM   25  H1  UNL     1       5.524   0.932  -0.670  1.00  0.00           H  
HETATM   26  H2  UNL     1       3.314   0.661  -1.460  1.00  0.00           H  
HETATM   27  H3  UNL     1       0.229   0.929  -3.942  1.00  0.00           H  
HETATM   28  H4  UNL     1      -3.851  -0.567   1.565  1.00  0.00           H  
HETATM   29  H5  UNL     1      -5.835  -0.153  -0.039  1.00  0.00           H  
HETATM   30  H6  UNL     1      -1.601   1.126  -1.507  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   25
CONECT    4    5    5   12
CONECT    5    6   26
CONECT    6    7   10   10
CONECT    7    8    8    9
CONECT    9   27
CONECT   10   11   24
CONECT   11   12   12   13
CONECT   13   14   14   15
CONECT   15   16   16   17
CONECT   17   18   24   24
CONECT   18   19   19   28
CONECT   19   20   23
CONECT   20   21   21   22
CONECT   22   29
CONECT   23   24   30
END