COMPND    HMDB0006040
HETATM    1  C1  UNL     1       3.174   0.388   0.425  1.00  0.00           C  
HETATM    2  N1  UNL     1       2.418  -0.282  -0.596  1.00  0.00           N  
HETATM    3  C2  UNL     1       1.011  -0.299  -0.534  1.00  0.00           C  
HETATM    4  N2  UNL     1       0.300  -0.940  -1.509  1.00  0.00           N  
HETATM    5  C3  UNL     1      -1.038  -0.936  -1.418  1.00  0.00           C  
HETATM    6  O1  UNL     1      -1.676  -1.529  -2.322  1.00  0.00           O  
HETATM    7  C4  UNL     1      -1.697  -0.313  -0.384  1.00  0.00           C  
HETATM    8  N3  UNL     1      -3.000  -0.187  -0.099  1.00  0.00           N  
HETATM    9  C5  UNL     1      -3.118   0.528   1.047  1.00  0.00           C  
HETATM   10  N4  UNL     1      -1.856   0.833   1.453  1.00  0.00           N  
HETATM   11  C6  UNL     1      -0.971   0.331   0.597  1.00  0.00           C  
HETATM   12  N5  UNL     1       0.390   0.313   0.481  1.00  0.00           N  
HETATM   13  H1  UNL     1       4.248   0.484   0.173  1.00  0.00           H  
HETATM   14  H2  UNL     1       2.753   1.421   0.524  1.00  0.00           H  
HETATM   15  H3  UNL     1       3.049  -0.091   1.434  1.00  0.00           H  
HETATM   16  H4  UNL     1       2.922  -0.747  -1.369  1.00  0.00           H  
HETATM   17  H5  UNL     1      -3.786  -0.572  -0.664  1.00  0.00           H  
HETATM   18  H6  UNL     1      -4.059   0.793   1.529  1.00  0.00           H  
HETATM   19  H7  UNL     1       0.938   0.806   1.232  1.00  0.00           H  
CONECT    1    2   13   14   15
CONECT    2    3   16
CONECT    3    4    4   12
CONECT    4    5
CONECT    5    6    6    7
CONECT    7    8   11   11
CONECT    8    9   17
CONECT    9   10   10   18
CONECT   10   11
CONECT   11   12
CONECT   12   19
END