COMPND    HMDB0000748
HETATM    1  O1  UNL     1       3.352   1.201  -0.989  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.014   0.653   0.087  1.00  0.00           C  
HETATM    3  O2  UNL     1       3.940   0.030   0.881  1.00  0.00           O  
HETATM    4  C2  UNL     1       1.593   0.675   0.509  1.00  0.00           C  
HETATM    5  O3  UNL     1       1.446   0.012   1.725  1.00  0.00           O  
HETATM    6  C3  UNL     1       0.809  -0.110  -0.519  1.00  0.00           C  
HETATM    7  C4  UNL     1      -0.633  -0.155  -0.200  1.00  0.00           C  
HETATM    8  C5  UNL     1      -1.144  -1.172   0.581  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.483  -1.255   0.905  1.00  0.00           C  
HETATM   10  C7  UNL     1      -3.351  -0.274   0.424  1.00  0.00           C  
HETATM   11  C8  UNL     1      -2.831   0.743  -0.358  1.00  0.00           C  
HETATM   12  C9  UNL     1      -1.496   0.827  -0.682  1.00  0.00           C  
HETATM   13  H1  UNL     1       4.297  -0.910   0.680  1.00  0.00           H  
HETATM   14  H2  UNL     1       1.220   1.722   0.591  1.00  0.00           H  
HETATM   15  H3  UNL     1       2.311  -0.115   2.183  1.00  0.00           H  
HETATM   16  H4  UNL     1       0.977   0.376  -1.492  1.00  0.00           H  
HETATM   17  H5  UNL     1       1.254  -1.132  -0.553  1.00  0.00           H  
HETATM   18  H6  UNL     1      -0.426  -1.919   0.935  1.00  0.00           H  
HETATM   19  H7  UNL     1      -2.853  -2.057   1.513  1.00  0.00           H  
HETATM   20  H8  UNL     1      -4.398  -0.277   0.635  1.00  0.00           H  
HETATM   21  H9  UNL     1      -3.517   1.509  -0.732  1.00  0.00           H  
HETATM   22  H10 UNL     1      -1.080   1.629  -1.300  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   13
CONECT    4    5    6   14
CONECT    5   15
CONECT    6    7   16   17
CONECT    7    8    8   12
CONECT    8    9   18
CONECT    9   10   10   19
CONECT   10   11   20
CONECT   11   12   12   21
CONECT   12   22
END