COMPND    HMDB0060417
HETATM    1  O1  UNL     1      -2.942  -2.166   0.043  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.908  -1.220  -0.046  1.00  0.00           C  
HETATM    3  N1  UNL     1      -2.180   0.094  -0.135  1.00  0.00           N  
HETATM    4  C2  UNL     1      -1.228   1.039  -0.223  1.00  0.00           C  
HETATM    5  S1  UNL     1      -1.589   2.764  -0.339  1.00  0.00           S  
HETATM    6  C3  UNL     1       0.107   0.646  -0.222  1.00  0.00           C  
HETATM    7  N2  UNL     1       1.281   1.299  -0.293  1.00  0.00           N  
HETATM    8  C4  UNL     1       2.301   0.432  -0.252  1.00  0.00           C  
HETATM    9  O2  UNL     1       3.671   0.675  -0.297  1.00  0.00           O  
HETATM   10  N3  UNL     1       1.756  -0.795  -0.152  1.00  0.00           N  
HETATM   11  C5  UNL     1       0.405  -0.702  -0.131  1.00  0.00           C  
HETATM   12  N4  UNL     1      -0.612  -1.579  -0.047  1.00  0.00           N  
HETATM   13  H1  UNL     1      -3.198  -2.566   0.944  1.00  0.00           H  
HETATM   14  H2  UNL     1      -2.369   3.239   0.716  1.00  0.00           H  
HETATM   15  H3  UNL     1       4.264   0.554   0.530  1.00  0.00           H  
HETATM   16  H4  UNL     1       2.239  -1.714  -0.096  1.00  0.00           H  
CONECT    1    2   13
CONECT    2    3    3   12
CONECT    3    4
CONECT    4    5    6    6
CONECT    5   14
CONECT    6    7   11
CONECT    7    8    8
CONECT    8    9   10
CONECT    9   15
CONECT   10   11   16
CONECT   11   12   12
END