COMPND    HMDB0248317
HETATM    1  N1  UNL     1       2.168   0.367   1.193  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.127  -0.421   0.181  1.00  0.00           C  
HETATM    3  N2  UNL     1       3.304  -1.068  -0.244  1.00  0.00           N  
HETATM    4  S1  UNL     1       0.624  -0.751  -0.740  1.00  0.00           S  
HETATM    5  C2  UNL     1      -0.692   0.203   0.028  1.00  0.00           C  
HETATM    6  C3  UNL     1      -2.027  -0.003  -0.679  1.00  0.00           C  
HETATM    7  N3  UNL     1      -2.983   0.824   0.049  1.00  0.00           N  
HETATM    8  H1  UNL     1       1.299   0.856   1.522  1.00  0.00           H  
HETATM    9  H2  UNL     1       3.896  -0.612  -0.952  1.00  0.00           H  
HETATM   10  H3  UNL     1       3.569  -1.982   0.147  1.00  0.00           H  
HETATM   11  H4  UNL     1      -0.488   1.302  -0.033  1.00  0.00           H  
HETATM   12  H5  UNL     1      -0.804  -0.114   1.095  1.00  0.00           H  
HETATM   13  H6  UNL     1      -1.917   0.410  -1.704  1.00  0.00           H  
HETATM   14  H7  UNL     1      -2.323  -1.062  -0.717  1.00  0.00           H  
HETATM   15  H8  UNL     1      -2.490   1.717   0.272  1.00  0.00           H  
HETATM   16  H9  UNL     1      -3.260   0.335   0.933  1.00  0.00           H  
CONECT    1    2    2    8
CONECT    2    3    4
CONECT    3    9   10
CONECT    4    5
CONECT    5    6   11   12
CONECT    6    7   13   14
CONECT    7   15   16
END