COMPND    HMDB0254988
HETATM    1  O1  UNL     1       0.644  -1.399  -1.040  1.00  0.00           O  
HETATM    2  C1  UNL     1       0.166  -0.586  -0.210  1.00  0.00           C  
HETATM    3  N1  UNL     1       0.959   0.151   0.693  1.00  0.00           N  
HETATM    4  C2  UNL     1       2.393   0.006   0.700  1.00  0.00           C  
HETATM    5  C3  UNL     1       2.950   0.419  -0.635  1.00  0.00           C  
HETATM    6  O2  UNL     1       4.354   0.280  -0.629  1.00  0.00           O  
HETATM    7  C4  UNL     1      -1.272  -0.404  -0.185  1.00  0.00           C  
HETATM    8  C5  UNL     1      -1.855   0.695   0.397  1.00  0.00           C  
HETATM    9  C6  UNL     1      -3.252   0.838   0.413  1.00  0.00           C  
HETATM   10  C7  UNL     1      -3.990  -0.161  -0.175  1.00  0.00           C  
HETATM   11  N2  UNL     1      -3.392  -1.223  -0.737  1.00  0.00           N  
HETATM   12  C8  UNL     1      -2.070  -1.395  -0.771  1.00  0.00           C  
HETATM   13  H1  UNL     1       0.543   0.821   1.390  1.00  0.00           H  
HETATM   14  H2  UNL     1       2.583  -1.087   0.899  1.00  0.00           H  
HETATM   15  H3  UNL     1       2.862   0.593   1.530  1.00  0.00           H  
HETATM   16  H4  UNL     1       2.524  -0.176  -1.441  1.00  0.00           H  
HETATM   17  H5  UNL     1       2.761   1.483  -0.853  1.00  0.00           H  
HETATM   18  H6  UNL     1       4.663   0.273   0.320  1.00  0.00           H  
HETATM   19  H7  UNL     1      -1.239   1.470   0.849  1.00  0.00           H  
HETATM   20  H8  UNL     1      -3.685   1.714   0.879  1.00  0.00           H  
HETATM   21  H9  UNL     1      -5.066  -0.072  -0.175  1.00  0.00           H  
HETATM   22  H10 UNL     1      -1.582  -2.242  -1.219  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    7
CONECT    3    4   13
CONECT    4    5   14   15
CONECT    5    6   16   17
CONECT    6   18
CONECT    7    8    8   12
CONECT    8    9   19
CONECT    9   10   10   20
CONECT   10   11   21
CONECT   11   12   12
CONECT   12   22
END