COMPND    HMDB0040227
HETATM    1  C1  UNL     1       2.405  -1.186  -1.431  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.001  -0.456  -0.415  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.839   0.683   0.031  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.748  -0.761   0.266  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.045  -1.958  -0.339  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.227  -2.287   0.384  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.133  -1.106   0.469  1.00  0.00           C  
HETATM    8  C8  UNL     1      -3.412  -1.360   1.178  1.00  0.00           C  
HETATM    9  C9  UNL     1      -1.358   0.006   1.176  1.00  0.00           C  
HETATM   10  C10 UNL     1      -0.250   0.389   0.210  1.00  0.00           C  
HETATM   11  O1  UNL     1       0.312   1.626   0.493  1.00  0.00           O  
HETATM   12  C11 UNL     1       0.286   2.633  -0.458  1.00  0.00           C  
HETATM   13  C12 UNL     1       0.873   3.988  -0.217  1.00  0.00           C  
HETATM   14  O2  UNL     1      -0.256   2.388  -1.560  1.00  0.00           O  
HETATM   15  H1  UNL     1       1.862  -2.035  -1.828  1.00  0.00           H  
HETATM   16  H2  UNL     1       3.336  -0.942  -1.919  1.00  0.00           H  
HETATM   17  H3  UNL     1       2.536   1.112   0.993  1.00  0.00           H  
HETATM   18  H4  UNL     1       3.893   0.307   0.190  1.00  0.00           H  
HETATM   19  H5  UNL     1       2.911   1.450  -0.790  1.00  0.00           H  
HETATM   20  H6  UNL     1       0.917  -1.026   1.352  1.00  0.00           H  
HETATM   21  H7  UNL     1       0.726  -2.835  -0.347  1.00  0.00           H  
HETATM   22  H8  UNL     1      -0.198  -1.715  -1.393  1.00  0.00           H  
HETATM   23  H9  UNL     1      -1.757  -3.063  -0.241  1.00  0.00           H  
HETATM   24  H10 UNL     1      -0.966  -2.721   1.365  1.00  0.00           H  
HETATM   25  H11 UNL     1      -2.324  -0.748  -0.564  1.00  0.00           H  
HETATM   26  H12 UNL     1      -3.237  -1.560   2.254  1.00  0.00           H  
HETATM   27  H13 UNL     1      -4.025  -0.435   1.134  1.00  0.00           H  
HETATM   28  H14 UNL     1      -3.992  -2.144   0.669  1.00  0.00           H  
HETATM   29  H15 UNL     1      -1.992   0.847   1.460  1.00  0.00           H  
HETATM   30  H16 UNL     1      -0.912  -0.486   2.089  1.00  0.00           H  
HETATM   31  H17 UNL     1      -0.693   0.343  -0.829  1.00  0.00           H  
HETATM   32  H18 UNL     1       1.957   4.008  -0.526  1.00  0.00           H  
HETATM   33  H19 UNL     1       0.364   4.702  -0.897  1.00  0.00           H  
HETATM   34  H20 UNL     1       0.720   4.342   0.807  1.00  0.00           H  
CONECT    1    2    2   15   16
CONECT    2    3    4
CONECT    3   17   18   19
CONECT    4    5   10   20
CONECT    5    6   21   22
CONECT    6    7   23   24
CONECT    7    8    9   25
CONECT    8   26   27   28
CONECT    9   10   29   30
CONECT   10   11   31
CONECT   11   12
CONECT   12   13   14   14
CONECT   13   32   33   34
END