COMPND    HMDB0029838
HETATM    1  C1  UNL     1      -3.309   1.769   0.194  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.523   0.600  -0.231  1.00  0.00           C  
HETATM    3  N1  UNL     1      -3.068  -0.380  -0.839  1.00  0.00           N  
HETATM    4  C3  UNL     1      -2.441  -1.560  -1.303  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.996  -1.713  -1.064  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.359  -0.592  -0.373  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.085   0.495   0.020  1.00  0.00           C  
HETATM    8  N2  UNL     1      -0.201   1.339   0.627  1.00  0.00           N  
HETATM    9  C7  UNL     1       1.031   0.810   0.619  1.00  0.00           C  
HETATM   10  C8  UNL     1       2.280   1.222   1.086  1.00  0.00           C  
HETATM   11  C9  UNL     1       3.411   0.482   0.952  1.00  0.00           C  
HETATM   12  O1  UNL     1       4.642   0.946   1.441  1.00  0.00           O  
HETATM   13  C10 UNL     1       3.346  -0.744   0.324  1.00  0.00           C  
HETATM   14  C11 UNL     1       2.116  -1.203  -0.162  1.00  0.00           C  
HETATM   15  C12 UNL     1       0.996  -0.414  -0.001  1.00  0.00           C  
HETATM   16  H1  UNL     1      -2.777   2.674  -0.215  1.00  0.00           H  
HETATM   17  H2  UNL     1      -4.325   1.707  -0.226  1.00  0.00           H  
HETATM   18  H3  UNL     1      -3.311   1.916   1.295  1.00  0.00           H  
HETATM   19  H4  UNL     1      -3.048  -2.421  -0.873  1.00  0.00           H  
HETATM   20  H5  UNL     1      -2.627  -1.701  -2.425  1.00  0.00           H  
HETATM   21  H6  UNL     1      -0.459  -1.988  -2.012  1.00  0.00           H  
HETATM   22  H7  UNL     1      -0.890  -2.592  -0.338  1.00  0.00           H  
HETATM   23  H8  UNL     1      -0.475   2.266   1.034  1.00  0.00           H  
HETATM   24  H9  UNL     1       2.309   2.194   1.579  1.00  0.00           H  
HETATM   25  H10 UNL     1       5.466   0.389   1.334  1.00  0.00           H  
HETATM   26  H11 UNL     1       4.235  -1.345   0.209  1.00  0.00           H  
HETATM   27  H12 UNL     1       2.061  -2.157  -0.652  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3    3    7
CONECT    3    4
CONECT    4    5   19   20
CONECT    5    6   21   22
CONECT    6    7    7   15
CONECT    7    8
CONECT    8    9   23
CONECT    9   10   10   15
CONECT   10   11   24
CONECT   11   12   13   13
CONECT   12   25
CONECT   13   14   26
CONECT   14   15   15   27
END