COMPND    HMDB0040577
HETATM    1  O1  UNL     1       1.879   1.440   0.899  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.008   1.346   0.354  1.00  0.00           C  
HETATM    3  O2  UNL     1       3.212   0.405  -0.625  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.101  -0.481  -1.020  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.690  -1.237   0.172  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.512  -1.216   0.678  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.636  -0.502   0.217  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.568  -0.179   1.236  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.763   0.422   0.951  1.00  0.00           C  
HETATM   10  C8  UNL     1      -3.116   0.739  -0.343  1.00  0.00           C  
HETATM   11  C9  UNL     1      -2.213   0.423  -1.330  1.00  0.00           C  
HETATM   12  C10 UNL     1      -0.987  -0.190  -1.069  1.00  0.00           C  
HETATM   13  H1  UNL     1       3.836   2.006   0.648  1.00  0.00           H  
HETATM   14  H2  UNL     1       2.564  -1.173  -1.736  1.00  0.00           H  
HETATM   15  H3  UNL     1       1.378   0.228  -1.398  1.00  0.00           H  
HETATM   16  H4  UNL     1       2.485  -1.881   0.669  1.00  0.00           H  
HETATM   17  H5  UNL     1       0.398  -1.865   1.604  1.00  0.00           H  
HETATM   18  H6  UNL     1      -1.352  -0.401   2.271  1.00  0.00           H  
HETATM   19  H7  UNL     1      -3.468   0.668   1.722  1.00  0.00           H  
HETATM   20  H8  UNL     1      -4.061   1.214  -0.559  1.00  0.00           H  
HETATM   21  H9  UNL     1      -2.501   0.678  -2.349  1.00  0.00           H  
HETATM   22  H10 UNL     1      -0.397  -0.445  -1.923  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   13
CONECT    3    4
CONECT    4    5   14   15
CONECT    5    6    6   16
CONECT    6    7   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