COMPND    HMDB0012915
HETATM    1  C1  UNL     1      -2.974  -2.002   0.505  1.00  0.00           C  
HETATM    2  O1  UNL     1      -3.029  -0.660   0.127  1.00  0.00           O  
HETATM    3  C2  UNL     1      -1.966   0.174  -0.073  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.632  -0.224   0.081  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.426   0.628  -0.124  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.815   0.237   0.029  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.228  -0.950   0.376  1.00  0.00           C  
HETATM    8  C7  UNL     1       3.701  -1.219   0.498  1.00  0.00           C  
HETATM    9  O2  UNL     1       4.394  -0.058   0.195  1.00  0.00           O  
HETATM   10  C8  UNL     1       0.120   1.924  -0.497  1.00  0.00           C  
HETATM   11  C9  UNL     1      -1.177   2.363  -0.662  1.00  0.00           C  
HETATM   12  C10 UNL     1      -2.198   1.479  -0.446  1.00  0.00           C  
HETATM   13  O3  UNL     1      -3.511   1.962  -0.624  1.00  0.00           O  
HETATM   14  H1  UNL     1      -3.008  -2.608  -0.445  1.00  0.00           H  
HETATM   15  H2  UNL     1      -2.070  -2.292   1.047  1.00  0.00           H  
HETATM   16  H3  UNL     1      -3.850  -2.336   1.091  1.00  0.00           H  
HETATM   17  H4  UNL     1      -0.443  -1.262   0.378  1.00  0.00           H  
HETATM   18  H5  UNL     1       2.579   0.995  -0.159  1.00  0.00           H  
HETATM   19  H6  UNL     1       1.504  -1.732   0.572  1.00  0.00           H  
HETATM   20  H7  UNL     1       4.018  -2.054  -0.152  1.00  0.00           H  
HETATM   21  H8  UNL     1       3.879  -1.440   1.577  1.00  0.00           H  
HETATM   22  H9  UNL     1       4.369   0.145  -0.771  1.00  0.00           H  
HETATM   23  H10 UNL     1       0.917   2.642  -0.673  1.00  0.00           H  
HETATM   24  H11 UNL     1      -1.386   3.390  -0.956  1.00  0.00           H  
HETATM   25  H12 UNL     1      -3.706   2.897  -0.892  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3
CONECT    3    4    4   12
CONECT    4    5   17
CONECT    5    6   10   10
CONECT    6    7    7   18
CONECT    7    8   19
CONECT    8    9   20   21
CONECT    9   22
CONECT   10   11   23
CONECT   11   12   12   24
CONECT   12   13
CONECT   13   25
END