COMPND    HMDB0040340
HETATM    1  C1  UNL     1       1.841  -2.163   0.647  1.00  0.00           C  
HETATM    2  O1  UNL     1       0.724  -1.359   0.333  1.00  0.00           O  
HETATM    3  C2  UNL     1       0.885  -0.020   0.059  1.00  0.00           C  
HETATM    4  N1  UNL     1       2.118   0.558   0.092  1.00  0.00           N  
HETATM    5  C3  UNL     1       2.324   1.859  -0.183  1.00  0.00           C  
HETATM    6  C4  UNL     1       1.240   2.641  -0.525  1.00  0.00           C  
HETATM    7  N2  UNL     1       0.047   2.064  -0.553  1.00  0.00           N  
HETATM    8  C5  UNL     1      -0.203   0.766  -0.276  1.00  0.00           C  
HETATM    9  C6  UNL     1      -1.553   0.170  -0.171  1.00  0.00           C  
HETATM   10  C7  UNL     1      -1.888  -0.726  -1.318  1.00  0.00           C  
HETATM   11  C8  UNL     1      -2.051  -0.158   1.177  1.00  0.00           C  
HETATM   12  H1  UNL     1       1.910  -3.010  -0.116  1.00  0.00           H  
HETATM   13  H2  UNL     1       2.769  -1.545   0.459  1.00  0.00           H  
HETATM   14  H3  UNL     1       1.888  -2.523   1.678  1.00  0.00           H  
HETATM   15  H4  UNL     1       3.340   2.282  -0.128  1.00  0.00           H  
HETATM   16  H5  UNL     1       1.452   3.672  -0.744  1.00  0.00           H  
HETATM   17  H6  UNL     1      -2.232   1.121  -0.461  1.00  0.00           H  
HETATM   18  H7  UNL     1      -2.825  -1.260  -1.049  1.00  0.00           H  
HETATM   19  H8  UNL     1      -1.085  -1.513  -1.470  1.00  0.00           H  
HETATM   20  H9  UNL     1      -2.009  -0.236  -2.275  1.00  0.00           H  
HETATM   21  H10 UNL     1      -2.810   0.620   1.555  1.00  0.00           H  
HETATM   22  H11 UNL     1      -2.603  -1.110   1.266  1.00  0.00           H  
HETATM   23  H12 UNL     1      -1.279  -0.130   2.002  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3
CONECT    3    4    4    8
CONECT    4    5
CONECT    5    6    6   15
CONECT    6    7   16
CONECT    7    8    8
CONECT    8    9
CONECT    9   10   11   17
CONECT   10   18   19   20
CONECT   11   21   22   23
END