COMPND    HMDB0245357
HETATM    1  O1  UNL     1       1.619  -2.265  -0.180  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.990  -0.952  -0.157  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.114  -0.634   0.606  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.565   0.657   0.675  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.877   1.630  -0.031  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.771   1.291  -0.775  1.00  0.00           C  
HETATM    7  C6  UNL     1       1.275  -0.000  -0.873  1.00  0.00           C  
HETATM    8  C7  UNL     1       0.038  -0.364  -1.600  1.00  0.00           C  
HETATM    9  C8  UNL     1      -1.184  -0.360  -0.768  1.00  0.00           C  
HETATM   10  C9  UNL     1      -1.744  -1.494  -0.227  1.00  0.00           C  
HETATM   11  C10 UNL     1      -2.897  -1.436   0.577  1.00  0.00           C  
HETATM   12  C11 UNL     1      -3.504  -0.242   0.850  1.00  0.00           C  
HETATM   13  C12 UNL     1      -2.968   0.903   0.324  1.00  0.00           C  
HETATM   14  C13 UNL     1      -1.833   0.842  -0.468  1.00  0.00           C  
HETATM   15  O2  UNL     1      -1.341   2.014  -0.973  1.00  0.00           O  
HETATM   16  H1  UNL     1       0.880  -2.602  -0.721  1.00  0.00           H  
HETATM   17  H2  UNL     1       3.664  -1.392   1.163  1.00  0.00           H  
HETATM   18  H3  UNL     1       4.451   0.927   1.270  1.00  0.00           H  
HETATM   19  H4  UNL     1       3.238   2.642   0.028  1.00  0.00           H  
HETATM   20  H5  UNL     1       1.253   2.065  -1.337  1.00  0.00           H  
HETATM   21  H6  UNL     1      -0.086   0.375  -2.447  1.00  0.00           H  
HETATM   22  H7  UNL     1       0.129  -1.347  -2.132  1.00  0.00           H  
HETATM   23  H8  UNL     1      -1.339  -2.458  -0.406  1.00  0.00           H  
HETATM   24  H9  UNL     1      -3.330  -2.344   1.003  1.00  0.00           H  
HETATM   25  H10 UNL     1      -4.406  -0.189   1.481  1.00  0.00           H  
HETATM   26  H11 UNL     1      -3.473   1.831   0.561  1.00  0.00           H  
HETATM   27  H12 UNL     1      -1.760   2.904  -0.798  1.00  0.00           H  
CONECT    1    2   16
CONECT    2    3    3    7
CONECT    3    4   17
CONECT    4    5    5   18
CONECT    5    6   19
CONECT    6    7    7   20
CONECT    7    8
CONECT    8    9   21   22
CONECT    9   10   10   14
CONECT   10   11   23
CONECT   11   12   12   24
CONECT   12   13   25
CONECT   13   14   14   26
CONECT   14   15
CONECT   15   27
END