COMPND    HMDB0013687
HETATM    1  C1  UNL     1       2.827  -1.873   0.895  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.745  -0.853   0.054  1.00  0.00           C  
HETATM    3  C3  UNL     1       4.026  -0.493  -0.663  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.499  -0.079  -0.206  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.753   1.373   0.081  1.00  0.00           C  
HETATM    6  C6  UNL     1       0.522   2.201   0.214  1.00  0.00           C  
HETATM    7  C7  UNL     1      -0.743   1.502   0.047  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.783   2.129  -0.466  1.00  0.00           C  
HETATM    9  C9  UNL     1      -3.088   1.490  -0.664  1.00  0.00           C  
HETATM   10  O1  UNL     1      -4.138   2.128  -0.897  1.00  0.00           O  
HETATM   11  C10 UNL     1      -3.156   0.008  -0.581  1.00  0.00           C  
HETATM   12  C11 UNL     1      -1.754  -0.573  -0.640  1.00  0.00           C  
HETATM   13  C12 UNL     1      -1.839  -2.057  -0.477  1.00  0.00           C  
HETATM   14  C13 UNL     1      -0.915   0.086   0.438  1.00  0.00           C  
HETATM   15  C14 UNL     1      -1.629   0.071   1.784  1.00  0.00           C  
HETATM   16  C15 UNL     1       0.399  -0.643   0.627  1.00  0.00           C  
HETATM   17  H1  UNL     1       1.937  -2.184   1.445  1.00  0.00           H  
HETATM   18  H2  UNL     1       3.781  -2.394   1.033  1.00  0.00           H  
HETATM   19  H3  UNL     1       3.834   0.062  -1.588  1.00  0.00           H  
HETATM   20  H4  UNL     1       4.633   0.061   0.078  1.00  0.00           H  
HETATM   21  H5  UNL     1       4.563  -1.424  -0.944  1.00  0.00           H  
HETATM   22  H6  UNL     1       1.194  -0.192  -1.287  1.00  0.00           H  
HETATM   23  H7  UNL     1       2.397   1.424   0.986  1.00  0.00           H  
HETATM   24  H8  UNL     1       2.371   1.799  -0.757  1.00  0.00           H  
HETATM   25  H9  UNL     1       0.522   2.647   1.251  1.00  0.00           H  
HETATM   26  H10 UNL     1       0.533   3.078  -0.499  1.00  0.00           H  
HETATM   27  H11 UNL     1      -1.734   3.178  -0.779  1.00  0.00           H  
HETATM   28  H12 UNL     1      -3.704  -0.421  -1.451  1.00  0.00           H  
HETATM   29  H13 UNL     1      -3.687  -0.347   0.327  1.00  0.00           H  
HETATM   30  H14 UNL     1      -1.307  -0.290  -1.606  1.00  0.00           H  
HETATM   31  H15 UNL     1      -2.774  -2.394  -1.011  1.00  0.00           H  
HETATM   32  H16 UNL     1      -1.980  -2.314   0.580  1.00  0.00           H  
HETATM   33  H17 UNL     1      -1.011  -2.608  -0.963  1.00  0.00           H  
HETATM   34  H18 UNL     1      -0.977   0.583   2.504  1.00  0.00           H  
HETATM   35  H19 UNL     1      -1.742  -0.977   2.102  1.00  0.00           H  
HETATM   36  H20 UNL     1      -2.587   0.631   1.739  1.00  0.00           H  
HETATM   37  H21 UNL     1       0.712  -0.607   1.697  1.00  0.00           H  
HETATM   38  H22 UNL     1       0.297  -1.727   0.371  1.00  0.00           H  
CONECT    1    2    2   17   18
CONECT    2    3    4
CONECT    3   19   20   21
CONECT    4    5   16   22
CONECT    5    6   23   24
CONECT    6    7   25   26
CONECT    7    8    8   14
CONECT    8    9   27
CONECT    9   10   10   11
CONECT   11   12   28   29
CONECT   12   13   14   30
CONECT   13   31   32   33
CONECT   14   15   16
CONECT   15   34   35   36
CONECT   16   37   38
END