COMPND    HMDB0037614
HETATM    1  C1  UNL     1       4.793   0.049   0.198  1.00  0.00           C  
HETATM    2  O1  UNL     1       3.553   0.437  -0.304  1.00  0.00           O  
HETATM    3  C2  UNL     1       2.343   0.043   0.257  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.247  -0.771   1.365  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.040  -1.151   1.907  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.156  -0.705   1.325  1.00  0.00           C  
HETATM    7  N1  UNL     1      -1.340  -1.042   1.807  1.00  0.00           N  
HETATM    8  C6  UNL     1      -2.501  -0.606   1.238  1.00  0.00           C  
HETATM    9  O2  UNL     1      -3.764  -0.801   1.529  1.00  0.00           O  
HETATM   10  C7  UNL     1      -4.572  -0.185   0.708  1.00  0.00           C  
HETATM   11  C8  UNL     1      -3.786   0.478  -0.209  1.00  0.00           C  
HETATM   12  C9  UNL     1      -2.485   0.210   0.129  1.00  0.00           C  
HETATM   13  C10 UNL     1      -1.246   0.564  -0.379  1.00  0.00           C  
HETATM   14  O3  UNL     1      -1.201   1.387  -1.499  1.00  0.00           O  
HETATM   15  C11 UNL     1      -1.195   0.793  -2.784  1.00  0.00           C  
HETATM   16  C12 UNL     1      -0.086   0.110   0.215  1.00  0.00           C  
HETATM   17  C13 UNL     1       1.148   0.462  -0.289  1.00  0.00           C  
HETATM   18  H1  UNL     1       5.113   0.691   1.060  1.00  0.00           H  
HETATM   19  H2  UNL     1       5.578   0.070  -0.594  1.00  0.00           H  
HETATM   20  H3  UNL     1       4.737  -1.001   0.540  1.00  0.00           H  
HETATM   21  H4  UNL     1       3.159  -1.124   1.827  1.00  0.00           H  
HETATM   22  H5  UNL     1       0.962  -1.784   2.769  1.00  0.00           H  
HETATM   23  H6  UNL     1      -5.674  -0.180   0.724  1.00  0.00           H  
HETATM   24  H7  UNL     1      -4.097   1.097  -1.045  1.00  0.00           H  
HETATM   25  H8  UNL     1      -0.706  -0.204  -2.774  1.00  0.00           H  
HETATM   26  H9  UNL     1      -0.741   1.469  -3.538  1.00  0.00           H  
HETATM   27  H10 UNL     1      -2.275   0.588  -3.026  1.00  0.00           H  
HETATM   28  H11 UNL     1       1.152   1.103  -1.160  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3
CONECT    3    4    4   17
CONECT    4    5   21
CONECT    5    6    6   22
CONECT    6    7   16
CONECT    7    8    8
CONECT    8    9   12
CONECT    9   10
CONECT   10   11   11   23
CONECT   11   12   24
CONECT   12   13   13
CONECT   13   14   16
CONECT   14   15
CONECT   15   25   26   27
CONECT   16   17   17
CONECT   17   28
END