COMPND    HMDB0301844
HETATM    1  O1  UNL     1      -1.183  -3.463   1.192  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.845  -2.320   0.780  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.793  -1.289   0.402  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.135  -1.598   0.508  1.00  0.00           C  
HETATM    5  C4  UNL     1      -4.022  -0.614   0.147  1.00  0.00           C  
HETATM    6  C5  UNL     1      -3.610   0.613  -0.295  1.00  0.00           C  
HETATM    7  C6  UNL     1      -2.256   0.911  -0.397  1.00  0.00           C  
HETATM    8  C7  UNL     1      -1.342  -0.044  -0.047  1.00  0.00           C  
HETATM    9  C8  UNL     1       0.090   0.224  -0.137  1.00  0.00           C  
HETATM   10  C9  UNL     1       0.552   1.453  -0.580  1.00  0.00           C  
HETATM   11  C10 UNL     1       1.910   1.707  -0.666  1.00  0.00           C  
HETATM   12  C11 UNL     1       2.779   0.711  -0.301  1.00  0.00           C  
HETATM   13  C12 UNL     1       2.322  -0.518   0.142  1.00  0.00           C  
HETATM   14  C13 UNL     1       3.250  -1.474   0.492  1.00  0.00           C  
HETATM   15  C14 UNL     1       2.835  -2.704   0.936  1.00  0.00           C  
HETATM   16  N1  UNL     1       1.515  -2.929   1.011  1.00  0.00           N  
HETATM   17  C15 UNL     1       0.566  -2.032   0.682  1.00  0.00           C  
HETATM   18  C16 UNL     1       0.962  -0.791   0.235  1.00  0.00           C  
HETATM   19  O2  UNL     1       2.121   3.013  -1.138  1.00  0.00           O  
HETATM   20  C17 UNL     1       0.892   3.700  -1.009  1.00  0.00           C  
HETATM   21  O3  UNL     1      -0.037   2.634  -1.011  1.00  0.00           O  
HETATM   22  H1  UNL     1      -3.482  -2.560   0.855  1.00  0.00           H  
HETATM   23  H2  UNL     1      -5.110  -0.781   0.202  1.00  0.00           H  
HETATM   24  H3  UNL     1      -4.338   1.394  -0.582  1.00  0.00           H  
HETATM   25  H4  UNL     1      -1.966   1.879  -0.746  1.00  0.00           H  
HETATM   26  H5  UNL     1       3.855   0.921  -0.372  1.00  0.00           H  
HETATM   27  H6  UNL     1       4.294  -1.211   0.402  1.00  0.00           H  
HETATM   28  H7  UNL     1       3.564  -3.481   1.221  1.00  0.00           H  
HETATM   29  H8  UNL     1       0.857   4.276  -0.044  1.00  0.00           H  
HETATM   30  H9  UNL     1       0.758   4.369  -1.883  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   17
CONECT    3    4    4    8
CONECT    4    5   22
CONECT    5    6    6   23
CONECT    6    7   24
CONECT    7    8    8   25
CONECT    8    9
CONECT    9   10   18   18
CONECT   10   11   11   21
CONECT   11   12   19
CONECT   12   13   13   26
CONECT   13   14   18
CONECT   14   15   15   27
CONECT   15   16   28
CONECT   16   17   17
CONECT   17   18
CONECT   19   20
CONECT   20   21   29   30
END