COMPND    HMDB0015150
HETATM    1  C1  UNL     1      -3.628  -1.071   1.777  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.268   0.115   0.970  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.260   0.064  -0.004  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.160   1.311  -0.579  1.00  0.00           C  
HETATM    5  N1  UNL     1      -1.315   1.776  -1.610  1.00  0.00           N  
HETATM    6  S1  UNL     1      -0.134   0.793  -2.366  1.00  0.00           S  
HETATM    7  O1  UNL     1       0.526   1.572  -3.474  1.00  0.00           O  
HETATM    8  O2  UNL     1      -0.877  -0.378  -2.996  1.00  0.00           O  
HETATM    9  C5  UNL     1       1.100   0.223  -1.277  1.00  0.00           C  
HETATM   10  C6  UNL     1       1.118  -1.045  -0.753  1.00  0.00           C  
HETATM   11  C7  UNL     1       2.098  -1.471   0.111  1.00  0.00           C  
HETATM   12  C8  UNL     1       3.127  -0.622   0.497  1.00  0.00           C  
HETATM   13  N2  UNL     1       4.144  -1.059   1.391  1.00  0.00           N  
HETATM   14  C9  UNL     1       3.109   0.653  -0.030  1.00  0.00           C  
HETATM   15  C10 UNL     1       2.132   1.079  -0.892  1.00  0.00           C  
HETATM   16  N3  UNL     1      -3.114   2.051   0.079  1.00  0.00           N  
HETATM   17  O3  UNL     1      -3.716   1.318   0.952  1.00  0.00           O  
HETATM   18  H1  UNL     1      -3.345  -2.015   1.267  1.00  0.00           H  
HETATM   19  H2  UNL     1      -3.251  -1.016   2.821  1.00  0.00           H  
HETATM   20  H3  UNL     1      -4.756  -1.076   1.828  1.00  0.00           H  
HETATM   21  H4  UNL     1      -1.669  -0.783  -0.272  1.00  0.00           H  
HETATM   22  H5  UNL     1      -1.460   2.784  -1.891  1.00  0.00           H  
HETATM   23  H6  UNL     1       0.344  -1.760  -1.022  1.00  0.00           H  
HETATM   24  H7  UNL     1       2.125  -2.472   0.534  1.00  0.00           H  
HETATM   25  H8  UNL     1       4.576  -0.323   1.996  1.00  0.00           H  
HETATM   26  H9  UNL     1       4.456  -2.046   1.459  1.00  0.00           H  
HETATM   27  H10 UNL     1       3.934   1.310   0.288  1.00  0.00           H  
HETATM   28  H11 UNL     1       2.165   2.087  -1.275  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3    3   17
CONECT    3    4   21
CONECT    4    5   16   16
CONECT    5    6   22
CONECT    6    7    7    8    8
CONECT    6    9
CONECT    9   10   10   15
CONECT   10   11   23
CONECT   11   12   12   24
CONECT   12   13   14
CONECT   13   25   26
CONECT   14   15   15   27
CONECT   15   28
CONECT   16   17
END