COMPND    HMDB0040051
HETATM    1  C1  UNL     1       2.641  -1.131   0.058  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.349   0.227  -0.455  1.00  0.00           C  
HETATM    3  O1  UNL     1       3.265   0.941  -0.909  1.00  0.00           O  
HETATM    4  C3  UNL     1       0.995   0.746  -0.439  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.627   2.004  -0.898  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.735   2.135  -0.720  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.177   0.950  -0.152  1.00  0.00           C  
HETATM    8  N1  UNL     1      -0.131   0.129   0.010  1.00  0.00           N  
HETATM    9  C7  UNL     1      -0.513  -1.134   0.599  1.00  0.00           C  
HETATM   10  C8  UNL     1      -2.023  -1.127   0.523  1.00  0.00           C  
HETATM   11  C9  UNL     1      -2.427   0.315   0.325  1.00  0.00           C  
HETATM   12  H1  UNL     1       2.064  -1.387   0.969  1.00  0.00           H  
HETATM   13  H2  UNL     1       3.719  -1.205   0.362  1.00  0.00           H  
HETATM   14  H3  UNL     1       2.474  -1.925  -0.700  1.00  0.00           H  
HETATM   15  H4  UNL     1       1.304   2.755  -1.326  1.00  0.00           H  
HETATM   16  H5  UNL     1      -1.355   2.997  -0.971  1.00  0.00           H  
HETATM   17  H6  UNL     1      -0.072  -1.990   0.051  1.00  0.00           H  
HETATM   18  H7  UNL     1      -0.221  -1.207   1.679  1.00  0.00           H  
HETATM   19  H8  UNL     1      -2.410  -1.794  -0.285  1.00  0.00           H  
HETATM   20  H9  UNL     1      -2.451  -1.471   1.477  1.00  0.00           H  
HETATM   21  H10 UNL     1      -3.189   0.395  -0.468  1.00  0.00           H  
HETATM   22  H11 UNL     1      -2.734   0.776   1.271  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3    3    4
CONECT    4    5    5    8
CONECT    5    6   15
CONECT    6    7    7   16
CONECT    7    8   11
CONECT    8    9
CONECT    9   10   17   18
CONECT   10   11   19   20
CONECT   11   21   22
END