COMPND    HMDB0036457
HETATM    1  C1  UNL     1      -4.665   0.828  -0.953  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.354   0.352  -0.437  1.00  0.00           C  
HETATM    3  C3  UNL     1      -3.290  -0.652   0.540  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.086  -1.095   1.020  1.00  0.00           C  
HETATM    5  O1  UNL     1      -1.997  -2.082   1.981  1.00  0.00           O  
HETATM    6  C5  UNL     1      -0.903  -0.552   0.542  1.00  0.00           C  
HETATM    7  C6  UNL     1      -0.946   0.434  -0.417  1.00  0.00           C  
HETATM    8  C7  UNL     1      -2.181   0.885  -0.905  1.00  0.00           C  
HETATM    9  C8  UNL     1       0.263   1.064  -0.978  1.00  0.00           C  
HETATM   10  C9  UNL     1       1.534   0.549  -0.425  1.00  0.00           C  
HETATM   11  C10 UNL     1       2.743   1.083  -0.893  1.00  0.00           C  
HETATM   12  C11 UNL     1       3.967   0.666  -0.438  1.00  0.00           C  
HETATM   13  O2  UNL     1       5.165   1.204  -0.910  1.00  0.00           O  
HETATM   14  C12 UNL     1       4.052  -0.314   0.517  1.00  0.00           C  
HETATM   15  C13 UNL     1       2.875  -0.854   0.992  1.00  0.00           C  
HETATM   16  O3  UNL     1       2.894  -1.856   1.966  1.00  0.00           O  
HETATM   17  C14 UNL     1       1.639  -0.434   0.533  1.00  0.00           C  
HETATM   18  C15 UNL     1       0.394  -1.004   1.034  1.00  0.00           C  
HETATM   19  O4  UNL     1       0.450  -1.905   1.911  1.00  0.00           O  
HETATM   20  H1  UNL     1      -5.448   0.114  -0.586  1.00  0.00           H  
HETATM   21  H2  UNL     1      -4.880   1.852  -0.580  1.00  0.00           H  
HETATM   22  H3  UNL     1      -4.612   0.815  -2.067  1.00  0.00           H  
HETATM   23  H4  UNL     1      -4.232  -1.072   0.908  1.00  0.00           H  
HETATM   24  H5  UNL     1      -2.794  -2.541   2.394  1.00  0.00           H  
HETATM   25  H6  UNL     1      -2.230   1.662  -1.662  1.00  0.00           H  
HETATM   26  H7  UNL     1       0.203   2.174  -0.866  1.00  0.00           H  
HETATM   27  H8  UNL     1       0.300   0.882  -2.086  1.00  0.00           H  
HETATM   28  H9  UNL     1       2.719   1.860  -1.648  1.00  0.00           H  
HETATM   29  H10 UNL     1       5.638   0.796  -1.714  1.00  0.00           H  
HETATM   30  H11 UNL     1       4.994  -0.681   0.912  1.00  0.00           H  
HETATM   31  H12 UNL     1       3.787  -2.178   2.315  1.00  0.00           H  
CONECT    1    2   20   21   22
CONECT    2    3    3    8
CONECT    3    4   23
CONECT    4    5    6    6
CONECT    5   24
CONECT    6    7   18
CONECT    7    8    8    9
CONECT    8   25
CONECT    9   10   26   27
CONECT   10   11   11   17
CONECT   11   12   28
CONECT   12   13   14   14
CONECT   13   29
CONECT   14   15   30
CONECT   15   16   17   17
CONECT   16   31
CONECT   17   18
CONECT   18   19   19
END