COMPND    HMDB0036167
HETATM    1  C1  UNL     1      -3.724   1.688  -1.528  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.134   0.520  -0.827  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.895  -0.047  -1.018  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.778  -1.097  -0.159  1.00  0.00           C  
HETATM    5  S1  UNL     1      -0.462  -2.243   0.118  1.00  0.00           S  
HETATM    6  S2  UNL     1       0.792  -1.415   1.622  1.00  0.00           S  
HETATM    7  C5  UNL     1       2.030  -0.449   0.793  1.00  0.00           C  
HETATM    8  C6  UNL     1       3.246  -0.940   0.371  1.00  0.00           C  
HETATM    9  C7  UNL     1       3.953   0.092  -0.233  1.00  0.00           C  
HETATM   10  C8  UNL     1       5.307   0.008  -0.829  1.00  0.00           C  
HETATM   11  O1  UNL     1       3.187   1.153  -0.172  1.00  0.00           O  
HETATM   12  C9  UNL     1       2.036   0.878   0.428  1.00  0.00           C  
HETATM   13  C10 UNL     1       0.952   1.836   0.663  1.00  0.00           C  
HETATM   14  C11 UNL     1      -2.983  -1.139   0.550  1.00  0.00           C  
HETATM   15  C12 UNL     1      -3.356  -2.109   1.614  1.00  0.00           C  
HETATM   16  O2  UNL     1      -3.756  -0.160   0.119  1.00  0.00           O  
HETATM   17  H1  UNL     1      -2.982   2.478  -1.722  1.00  0.00           H  
HETATM   18  H2  UNL     1      -4.560   2.112  -0.947  1.00  0.00           H  
HETATM   19  H3  UNL     1      -4.153   1.395  -2.519  1.00  0.00           H  
HETATM   20  H4  UNL     1      -1.134   0.264  -1.717  1.00  0.00           H  
HETATM   21  H5  UNL     1       3.626  -1.956   0.475  1.00  0.00           H  
HETATM   22  H6  UNL     1       5.901   0.934  -0.617  1.00  0.00           H  
HETATM   23  H7  UNL     1       5.894  -0.836  -0.413  1.00  0.00           H  
HETATM   24  H8  UNL     1       5.267  -0.162  -1.929  1.00  0.00           H  
HETATM   25  H9  UNL     1       0.000   1.351   0.898  1.00  0.00           H  
HETATM   26  H10 UNL     1       1.199   2.515   1.531  1.00  0.00           H  
HETATM   27  H11 UNL     1       0.850   2.456  -0.266  1.00  0.00           H  
HETATM   28  H12 UNL     1      -4.081  -1.670   2.313  1.00  0.00           H  
HETATM   29  H13 UNL     1      -2.452  -2.411   2.204  1.00  0.00           H  
HETATM   30  H14 UNL     1      -3.790  -3.046   1.198  1.00  0.00           H  
CONECT    1    2   17   18   19
CONECT    2    3    3   16
CONECT    3    4   20
CONECT    4    5   14   14
CONECT    5    6
CONECT    6    7
CONECT    7    8   12   12
CONECT    8    9    9   21
CONECT    9   10   11
CONECT   10   22   23   24
CONECT   11   12
CONECT   12   13
CONECT   13   25   26   27
CONECT   14   15   16
CONECT   15   28   29   30
END