COMPND    HMDB0001189
HETATM    1  C1  UNL     1      -2.829   0.008   1.432  1.00  0.00           C  
HETATM    2  N1  UNL     1      -2.143   0.013   0.209  1.00  0.00           N  
HETATM    3  C2  UNL     1      -1.912   1.236  -0.429  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.663   1.255  -1.285  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.413   0.467  -0.675  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.743   0.872  -0.662  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.678   0.043  -0.055  1.00  0.00           C  
HETATM    8  O1  UNL     1       4.020   0.415  -0.021  1.00  0.00           O  
HETATM    9  C7  UNL     1       2.344  -1.158   0.531  1.00  0.00           C  
HETATM   10  O2  UNL     1       3.278  -1.994   1.141  1.00  0.00           O  
HETATM   11  C8  UNL     1       1.013  -1.531   0.499  1.00  0.00           C  
HETATM   12  C9  UNL     1       0.058  -0.743  -0.089  1.00  0.00           C  
HETATM   13  C10 UNL     1      -1.383  -1.107  -0.145  1.00  0.00           C  
HETATM   14  H1  UNL     1      -2.376   0.786   2.101  1.00  0.00           H  
HETATM   15  H2  UNL     1      -2.719  -0.973   1.939  1.00  0.00           H  
HETATM   16  H3  UNL     1      -3.910   0.238   1.346  1.00  0.00           H  
HETATM   17  H4  UNL     1      -2.791   1.598  -1.020  1.00  0.00           H  
HETATM   18  H5  UNL     1      -1.745   2.028   0.360  1.00  0.00           H  
HETATM   19  H6  UNL     1      -0.342   2.295  -1.511  1.00  0.00           H  
HETATM   20  H7  UNL     1      -0.946   0.816  -2.285  1.00  0.00           H  
HETATM   21  H8  UNL     1       2.020   1.811  -1.116  1.00  0.00           H  
HETATM   22  H9  UNL     1       4.356   1.284  -0.428  1.00  0.00           H  
HETATM   23  H10 UNL     1       4.255  -1.735   1.172  1.00  0.00           H  
HETATM   24  H11 UNL     1       0.721  -2.472   0.952  1.00  0.00           H  
HETATM   25  H12 UNL     1      -1.531  -1.916   0.601  1.00  0.00           H  
HETATM   26  H13 UNL     1      -1.606  -1.535  -1.155  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3   13
CONECT    3    4   17   18
CONECT    4    5   19   20
CONECT    5    6    6   12
CONECT    6    7   21
CONECT    7    8    9    9
CONECT    8   22
CONECT    9   10   11
CONECT   10   23
CONECT   11   12   12   24
CONECT   12   13
CONECT   13   25   26
END