COMPND    HMDB0003454
HETATM    1  C1  UNL     1       2.989  -0.268  -0.156  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.511  -0.412  -0.235  1.00  0.00           C  
HETATM    3  N1  UNL     1       0.914  -1.454  -0.833  1.00  0.00           N  
HETATM    4  C3  UNL     1      -0.420  -1.587  -0.907  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.185  -0.601  -0.336  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.643   0.489   0.290  1.00  0.00           C  
HETATM    7  C6  UNL     1       0.745   0.588   0.343  1.00  0.00           C  
HETATM    8  O1  UNL     1       1.299   1.676   0.968  1.00  0.00           O  
HETATM    9  C7  UNL     1      -1.704   1.353   0.791  1.00  0.00           C  
HETATM   10  O2  UNL     1      -1.537   2.441   1.417  1.00  0.00           O  
HETATM   11  O3  UNL     1      -2.892   0.735   0.438  1.00  0.00           O  
HETATM   12  C8  UNL     1      -2.679  -0.460  -0.251  1.00  0.00           C  
HETATM   13  H1  UNL     1       3.250   0.308   0.731  1.00  0.00           H  
HETATM   14  H2  UNL     1       3.315   0.189  -1.116  1.00  0.00           H  
HETATM   15  H3  UNL     1       3.402  -1.313  -0.151  1.00  0.00           H  
HETATM   16  H4  UNL     1      -0.910  -2.428  -1.389  1.00  0.00           H  
HETATM   17  H5  UNL     1       0.771   2.404   1.389  1.00  0.00           H  
HETATM   18  H6  UNL     1      -3.112  -1.332   0.280  1.00  0.00           H  
HETATM   19  H7  UNL     1      -3.116  -0.330  -1.273  1.00  0.00           H  
CONECT    1    2   13   14   15
CONECT    2    3    3    7
CONECT    3    4
CONECT    4    5    5   16
CONECT    5    6   12
CONECT    6    7    7    9
CONECT    7    8
CONECT    8   17
CONECT    9   10   10   11
CONECT   11   12
CONECT   12   18   19
END