COMPND    HMDB0030840
HETATM    1  C1  UNL     1      -1.367  -4.061  -0.422  1.00  0.00           C  
HETATM    2  O1  UNL     1      -1.685  -3.146   0.595  1.00  0.00           O  
HETATM    3  C2  UNL     1      -1.624  -1.785   0.484  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.715  -1.064   0.565  1.00  0.00           C  
HETATM    5  C4  UNL     1      -2.661   0.409   0.446  1.00  0.00           C  
HETATM    6  C5  UNL     1      -3.871   1.103   0.534  1.00  0.00           C  
HETATM    7  C6  UNL     1      -3.886   2.470   0.422  1.00  0.00           C  
HETATM    8  C7  UNL     1      -2.673   3.092   0.224  1.00  0.00           C  
HETATM    9  C8  UNL     1      -1.474   2.444   0.134  1.00  0.00           C  
HETATM   10  C9  UNL     1      -0.276   3.073  -0.071  1.00  0.00           C  
HETATM   11  C10 UNL     1       0.918   2.396  -0.165  1.00  0.00           C  
HETATM   12  C11 UNL     1       0.920   1.007  -0.048  1.00  0.00           C  
HETATM   13  C12 UNL     1       2.186   0.319  -0.085  1.00  0.00           C  
HETATM   14  C13 UNL     1       2.770  -0.352   0.962  1.00  0.00           C  
HETATM   15  C14 UNL     1       3.982  -0.977   0.790  1.00  0.00           C  
HETATM   16  C15 UNL     1       4.664  -0.968  -0.412  1.00  0.00           C  
HETATM   17  C16 UNL     1       4.094  -0.302  -1.471  1.00  0.00           C  
HETATM   18  C17 UNL     1       2.879   0.327  -1.301  1.00  0.00           C  
HETATM   19  C18 UNL     1      -0.255   0.354   0.153  1.00  0.00           C  
HETATM   20  C19 UNL     1      -1.465   1.055   0.249  1.00  0.00           C  
HETATM   21  C20 UNL     1      -0.352  -1.116   0.276  1.00  0.00           C  
HETATM   22  O2  UNL     1       0.717  -1.765   0.188  1.00  0.00           O  
HETATM   23  H1  UNL     1      -0.307  -3.951  -0.760  1.00  0.00           H  
HETATM   24  H2  UNL     1      -2.035  -3.973  -1.308  1.00  0.00           H  
HETATM   25  H3  UNL     1      -1.492  -5.092  -0.017  1.00  0.00           H  
HETATM   26  H4  UNL     1      -3.677  -1.525   0.720  1.00  0.00           H  
HETATM   27  H5  UNL     1      -4.805   0.589   0.689  1.00  0.00           H  
HETATM   28  H6  UNL     1      -4.815   3.031   0.487  1.00  0.00           H  
HETATM   29  H7  UNL     1      -2.670   4.177   0.133  1.00  0.00           H  
HETATM   30  H8  UNL     1      -0.280   4.156  -0.162  1.00  0.00           H  
HETATM   31  H9  UNL     1       1.872   2.872  -0.326  1.00  0.00           H  
HETATM   32  H10 UNL     1       2.258  -0.366   1.917  1.00  0.00           H  
HETATM   33  H11 UNL     1       4.404  -1.499   1.658  1.00  0.00           H  
HETATM   34  H12 UNL     1       5.620  -1.472  -0.520  1.00  0.00           H  
HETATM   35  H13 UNL     1       4.637  -0.303  -2.400  1.00  0.00           H  
HETATM   36  H14 UNL     1       2.463   0.841  -2.156  1.00  0.00           H  
CONECT    1    2   23   24   25
CONECT    2    3
CONECT    3    4    4   21
CONECT    4    5   26
CONECT    5    6   20   20
CONECT    6    7    7   27
CONECT    7    8   28
CONECT    8    9    9   29
CONECT    9   10   20
CONECT   10   11   11   30
CONECT   11   12   31
CONECT   12   13   19   19
CONECT   13   14   14   18
CONECT   14   15   32
CONECT   15   16   16   33
CONECT   16   17   34
CONECT   17   18   18   35
CONECT   18   36
CONECT   19   20   21
CONECT   21   22   22
END