COMPND    HMDB0006050
HETATM    1  N1  UNL     1       2.861  -1.627  -0.351  1.00  0.00           N  
HETATM    2  C1  UNL     1       1.773  -0.633  -0.513  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.544  -1.259   0.054  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.677  -0.449   0.031  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.603  -0.574  -0.985  1.00  0.00           C  
HETATM    6  C5  UNL     1      -2.739   0.159  -1.090  1.00  0.00           C  
HETATM    7  C6  UNL     1      -3.006   1.103  -0.117  1.00  0.00           C  
HETATM    8  C7  UNL     1      -2.097   1.260   0.929  1.00  0.00           C  
HETATM    9  C8  UNL     1      -0.944   0.494   1.005  1.00  0.00           C  
HETATM   10  O1  UNL     1      -0.100   0.713   2.079  1.00  0.00           O  
HETATM   11  C9  UNL     1       2.246   0.594   0.112  1.00  0.00           C  
HETATM   12  O2  UNL     1       3.233   0.578   0.870  1.00  0.00           O  
HETATM   13  O3  UNL     1       1.620   1.801  -0.118  1.00  0.00           O  
HETATM   14  H1  UNL     1       2.665  -2.493  -0.880  1.00  0.00           H  
HETATM   15  H2  UNL     1       2.863  -1.859   0.681  1.00  0.00           H  
HETATM   16  H3  UNL     1       1.618  -0.465  -1.629  1.00  0.00           H  
HETATM   17  H4  UNL     1       0.743  -1.652   1.075  1.00  0.00           H  
HETATM   18  H5  UNL     1       0.368  -2.195  -0.559  1.00  0.00           H  
HETATM   19  H6  UNL     1      -1.405  -1.316  -1.767  1.00  0.00           H  
HETATM   20  H7  UNL     1      -3.466   0.056  -1.895  1.00  0.00           H  
HETATM   21  H8  UNL     1      -3.908   1.715  -0.161  1.00  0.00           H  
HETATM   22  H9  UNL     1      -2.315   2.005   1.691  1.00  0.00           H  
HETATM   23  H10 UNL     1      -0.302   1.403   2.784  1.00  0.00           H  
HETATM   24  H11 UNL     1       2.029   2.642  -0.445  1.00  0.00           H  
CONECT    1    2   14   15
CONECT    2    3   11   16
CONECT    3    4   17   18
CONECT    4    5    5    9
CONECT    5    6   19
CONECT    6    7    7   20
CONECT    7    8   21
CONECT    8    9    9   22
CONECT    9   10
CONECT   10   23
CONECT   11   12   12   13
CONECT   13   24
END