COMPND    HMDB0014956
HETATM    1  C1  UNL     1      -3.462   0.431   0.930  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.124   1.063   0.579  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.838   2.081   1.666  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.092   0.039   0.434  1.00  0.00           C  
HETATM    5  C5  UNL     1      -1.329  -1.244   0.887  1.00  0.00           C  
HETATM    6  C6  UNL     1      -0.353  -2.242   0.768  1.00  0.00           C  
HETATM    7  C7  UNL     1       0.860  -1.947   0.192  1.00  0.00           C  
HETATM    8  C8  UNL     1       1.080  -0.654  -0.260  1.00  0.00           C  
HETATM    9  C9  UNL     1       2.372  -0.333  -0.877  1.00  0.00           C  
HETATM   10  C10 UNL     1       3.230  -1.550  -1.133  1.00  0.00           C  
HETATM   11  C11 UNL     1       2.257   0.590  -2.063  1.00  0.00           C  
HETATM   12  C12 UNL     1       0.124   0.341  -0.147  1.00  0.00           C  
HETATM   13  O1  UNL     1       0.422   1.601  -0.618  1.00  0.00           O  
HETATM   14  H1  UNL     1      -3.704  -0.409   0.251  1.00  0.00           H  
HETATM   15  H2  UNL     1      -3.404   0.131   1.991  1.00  0.00           H  
HETATM   16  H3  UNL     1      -4.210   1.255   0.870  1.00  0.00           H  
HETATM   17  H4  UNL     1      -2.230   1.589  -0.416  1.00  0.00           H  
HETATM   18  H5  UNL     1      -0.778   2.065   1.992  1.00  0.00           H  
HETATM   19  H6  UNL     1      -2.097   3.080   1.214  1.00  0.00           H  
HETATM   20  H7  UNL     1      -2.467   1.840   2.533  1.00  0.00           H  
HETATM   21  H8  UNL     1      -2.280  -1.503   1.346  1.00  0.00           H  
HETATM   22  H9  UNL     1      -0.560  -3.238   1.133  1.00  0.00           H  
HETATM   23  H10 UNL     1       1.634  -2.711   0.096  1.00  0.00           H  
HETATM   24  H11 UNL     1       2.954   0.258  -0.099  1.00  0.00           H  
HETATM   25  H12 UNL     1       2.640  -2.356  -1.633  1.00  0.00           H  
HETATM   26  H13 UNL     1       3.575  -1.946  -0.170  1.00  0.00           H  
HETATM   27  H14 UNL     1       4.094  -1.230  -1.735  1.00  0.00           H  
HETATM   28  H15 UNL     1       2.412   1.667  -1.782  1.00  0.00           H  
HETATM   29  H16 UNL     1       3.090   0.406  -2.808  1.00  0.00           H  
HETATM   30  H17 UNL     1       1.285   0.492  -2.559  1.00  0.00           H  
HETATM   31  H18 UNL     1      -0.100   2.432  -0.582  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3    4   17
CONECT    3   18   19   20
CONECT    4    5    5   12
CONECT    5    6   21
CONECT    6    7    7   22
CONECT    7    8   23
CONECT    8    9   12   12
CONECT    9   10   11   24
CONECT   10   25   26   27
CONECT   11   28   29   30
CONECT   12   13
CONECT   13   31
END