COMPND    HMDB0059631
HETATM    1  C1  UNL     1       3.382   0.461   1.380  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.675  -0.659   0.632  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.795  -1.133  -0.304  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.564  -0.518  -0.554  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.659  -1.056  -1.564  1.00  0.00           C  
HETATM    6  O1  UNL     1       0.057   0.015  -2.417  1.00  0.00           O  
HETATM    7  C6  UNL     1      -0.762  -0.931  -1.633  1.00  0.00           C  
HETATM    8  C7  UNL     1      -1.628  -0.290  -0.667  1.00  0.00           C  
HETATM    9  C8  UNL     1      -2.357   0.820  -0.985  1.00  0.00           C  
HETATM   10  C9  UNL     1      -3.188   1.444  -0.084  1.00  0.00           C  
HETATM   11  C10 UNL     1      -3.301   0.935   1.206  1.00  0.00           C  
HETATM   12  C11 UNL     1      -2.577  -0.180   1.550  1.00  0.00           C  
HETATM   13  C12 UNL     1      -1.741  -0.790   0.609  1.00  0.00           C  
HETATM   14  C13 UNL     1       1.280   0.602   0.199  1.00  0.00           C  
HETATM   15  C14 UNL     1       2.173   1.080   1.147  1.00  0.00           C  
HETATM   16  H1  UNL     1       4.080   0.841   2.126  1.00  0.00           H  
HETATM   17  H2  UNL     1       4.628  -1.139   0.823  1.00  0.00           H  
HETATM   18  H3  UNL     1       3.046  -2.015  -0.880  1.00  0.00           H  
HETATM   19  H4  UNL     1       1.150  -1.755  -2.297  1.00  0.00           H  
HETATM   20  H5  UNL     1      -1.307  -1.569  -2.367  1.00  0.00           H  
HETATM   21  H6  UNL     1      -2.285   1.228  -1.975  1.00  0.00           H  
HETATM   22  H7  UNL     1      -3.773   2.322  -0.317  1.00  0.00           H  
HETATM   23  H8  UNL     1      -3.966   1.435   1.925  1.00  0.00           H  
HETATM   24  H9  UNL     1      -2.675  -0.561   2.550  1.00  0.00           H  
HETATM   25  H10 UNL     1      -1.185  -1.669   0.917  1.00  0.00           H  
HETATM   26  H11 UNL     1       0.353   1.121   0.054  1.00  0.00           H  
HETATM   27  H12 UNL     1       1.907   1.960   1.712  1.00  0.00           H  
CONECT    1    2    2   15   16
CONECT    2    3   17
CONECT    3    4    4   18
CONECT    4    5   14
CONECT    5    6    7   19
CONECT    6    7
CONECT    7    8   20
CONECT    8    9    9   13
CONECT    9   10   21
CONECT   10   11   11   22
CONECT   11   12   23
CONECT   12   13   13   24
CONECT   13   25
CONECT   14   15   15   26
CONECT   15   27
END