COMPND    HMDB0039831
HETATM    1  C1  UNL     1       3.827  -0.343   0.172  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.357  -0.058   0.113  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.897   1.068  -0.536  1.00  0.00           C  
HETATM    4  N1  UNL     1       0.583   1.338  -0.598  1.00  0.00           N  
HETATM    5  C4  UNL     1      -0.356   0.514  -0.024  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.110  -0.592   0.612  1.00  0.00           C  
HETATM    7  N2  UNL     1       1.458  -0.873   0.678  1.00  0.00           N  
HETATM    8  C6  UNL     1      -1.039  -1.357   1.165  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.232  -0.822   0.385  1.00  0.00           C  
HETATM   10  C8  UNL     1      -1.830   0.592   0.043  1.00  0.00           C  
HETATM   11  C9  UNL     1      -2.447   1.058  -1.251  1.00  0.00           C  
HETATM   12  H1  UNL     1       4.019  -1.424   0.294  1.00  0.00           H  
HETATM   13  H2  UNL     1       4.316   0.263   0.970  1.00  0.00           H  
HETATM   14  H3  UNL     1       4.252   0.025  -0.799  1.00  0.00           H  
HETATM   15  H4  UNL     1       2.643   1.708  -0.982  1.00  0.00           H  
HETATM   16  H5  UNL     1      -1.152  -1.261   2.244  1.00  0.00           H  
HETATM   17  H6  UNL     1      -0.871  -2.427   0.852  1.00  0.00           H  
HETATM   18  H7  UNL     1      -3.130  -0.793   1.049  1.00  0.00           H  
HETATM   19  H8  UNL     1      -2.456  -1.445  -0.485  1.00  0.00           H  
HETATM   20  H9  UNL     1      -2.136   1.299   0.858  1.00  0.00           H  
HETATM   21  H10 UNL     1      -2.795   2.107  -1.153  1.00  0.00           H  
HETATM   22  H11 UNL     1      -3.322   0.430  -1.537  1.00  0.00           H  
HETATM   23  H12 UNL     1      -1.696   0.990  -2.069  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3    3    7
CONECT    3    4   15
CONECT    4    5    5
CONECT    5    6   10
CONECT    6    7    7    8
CONECT    8    9   16   17
CONECT    9   10   18   19
CONECT   10   11   20
CONECT   11   21   22   23
END