COMPND    HMDB0040768
HETATM    1  O1  UNL     1      -3.465  -0.175   2.158  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.586   0.328   1.185  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.980   1.390   0.380  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.116   1.867  -0.559  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.862   1.285  -0.693  1.00  0.00           C  
HETATM    6  O2  UNL     1      -0.054   1.850  -1.685  1.00  0.00           O  
HETATM    7  C5  UNL     1      -0.449   0.234   0.092  1.00  0.00           C  
HETATM    8  N1  UNL     1       0.828  -0.326  -0.076  1.00  0.00           N1+
HETATM    9  C6  UNL     1       1.822   0.028   0.782  1.00  0.00           C  
HETATM   10  C7  UNL     1       3.067  -0.525   0.610  1.00  0.00           C  
HETATM   11  C8  UNL     1       3.275  -1.419  -0.423  1.00  0.00           C  
HETATM   12  C9  UNL     1       2.257  -1.775  -1.294  1.00  0.00           C  
HETATM   13  C10 UNL     1       1.024  -1.197  -1.085  1.00  0.00           C  
HETATM   14  C11 UNL     1      -1.334  -0.237   1.037  1.00  0.00           C  
HETATM   15  H1  UNL     1      -4.104  -0.933   1.886  1.00  0.00           H  
HETATM   16  H2  UNL     1      -3.976   1.823   0.515  1.00  0.00           H  
HETATM   17  H3  UNL     1      -2.433   2.700  -1.186  1.00  0.00           H  
HETATM   18  H4  UNL     1       0.864   1.440  -1.799  1.00  0.00           H  
HETATM   19  H5  UNL     1       1.606   0.739   1.583  1.00  0.00           H  
HETATM   20  H6  UNL     1       3.876  -0.259   1.281  1.00  0.00           H  
HETATM   21  H7  UNL     1       4.252  -1.850  -0.555  1.00  0.00           H  
HETATM   22  H8  UNL     1       2.399  -2.475  -2.111  1.00  0.00           H  
HETATM   23  H9  UNL     1       0.188  -1.449  -1.749  1.00  0.00           H  
HETATM   24  H10 UNL     1      -1.099  -1.064   1.703  1.00  0.00           H  
CONECT    1    2   15
CONECT    2    3    3   14
CONECT    3    4   16
CONECT    4    5    5   17
CONECT    5    6    7
CONECT    6   18
CONECT    7    8   14   14
CONECT    8    9    9   13
CONECT    9   10   19
CONECT   10   11   11   20
CONECT   11   12   21
CONECT   12   13   13   22
CONECT   13   23
CONECT   14   24
END