COMPND    HMDB0251552
HETATM    1  O1  UNL     1       4.288  -0.972  -0.255  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.151  -0.454  -0.026  1.00  0.00           C  
HETATM    3  N1  UNL     1       2.051  -1.045  -0.511  1.00  0.00           N  
HETATM    4  C2  UNL     1       0.817  -0.540  -0.300  1.00  0.00           C  
HETATM    5  C3  UNL     1      -0.293  -1.169  -0.804  1.00  0.00           C  
HETATM    6  C4  UNL     1      -1.581  -0.613  -0.559  1.00  0.00           C  
HETATM    7  N2  UNL     1      -2.666  -1.339  -1.078  1.00  0.00           N1+
HETATM    8  O2  UNL     1      -2.523  -2.606  -1.159  1.00  0.00           O  
HETATM    9  O3  UNL     1      -3.851  -0.876  -1.501  1.00  0.00           O1-
HETATM   10  C5  UNL     1      -1.704   0.531   0.167  1.00  0.00           C  
HETATM   11  N3  UNL     1      -2.937   1.135   0.458  1.00  0.00           N1+
HETATM   12  O4  UNL     1      -3.887   1.155  -0.285  1.00  0.00           O  
HETATM   13  O5  UNL     1      -3.084   1.780   1.683  1.00  0.00           O1-
HETATM   14  C6  UNL     1      -0.532   1.140   0.665  1.00  0.00           C  
HETATM   15  C7  UNL     1       0.713   0.618   0.439  1.00  0.00           C  
HETATM   16  N4  UNL     1       1.841   1.207   0.928  1.00  0.00           N  
HETATM   17  C8  UNL     1       3.061   0.702   0.714  1.00  0.00           C  
HETATM   18  O6  UNL     1       4.123   1.206   1.142  1.00  0.00           O  
HETATM   19  H1  UNL     1       2.168  -1.915  -1.065  1.00  0.00           H  
HETATM   20  H2  UNL     1      -0.228  -2.085  -1.388  1.00  0.00           H  
HETATM   21  H3  UNL     1      -0.675   2.050   1.237  1.00  0.00           H  
HETATM   22  H4  UNL     1       1.751   2.092   1.498  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   17
CONECT    3    4   19
CONECT    4    5    5   15
CONECT    5    6   20
CONECT    6    7   10   10
CONECT    7    8    8    9
CONECT   10   11   14
CONECT   11   12   12   13
CONECT   14   15   15   21
CONECT   15   16
CONECT   16   17   22
CONECT   17   18   18
END