COMPND    HMDB0250384
HETATM    1  N1  UNL     1       3.590  -1.395   2.422  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.695  -0.994   1.782  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.606  -0.511   0.973  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.315  -0.929   1.154  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.757  -0.495   0.401  1.00  0.00           C  
HETATM    6  N2  UNL     1      -2.004  -0.944   0.630  1.00  0.00           N  
HETATM    7  C5  UNL     1      -3.058  -0.513  -0.114  1.00  0.00           C  
HETATM    8  O1  UNL     1      -4.236  -0.915   0.076  1.00  0.00           O  
HETATM    9  C6  UNL     1      -2.837   0.405  -1.124  1.00  0.00           C  
HETATM   10  O2  UNL     1      -3.813   0.820  -1.834  1.00  0.00           O  
HETATM   11  N3  UNL     1      -1.587   0.850  -1.346  1.00  0.00           N  
HETATM   12  C7  UNL     1      -0.525   0.421  -0.602  1.00  0.00           C  
HETATM   13  C8  UNL     1       0.759   0.870  -0.819  1.00  0.00           C  
HETATM   14  C9  UNL     1       1.825   0.420  -0.050  1.00  0.00           C  
HETATM   15  N4  UNL     1       3.138   0.881  -0.284  1.00  0.00           N1+
HETATM   16  O3  UNL     1       3.918   0.987   0.663  1.00  0.00           O  
HETATM   17  O4  UNL     1       3.519   1.206  -1.549  1.00  0.00           O1-
HETATM   18  H1  UNL     1       0.118  -1.655   1.946  1.00  0.00           H  
HETATM   19  H2  UNL     1      -2.177  -1.640   1.389  1.00  0.00           H  
HETATM   20  H3  UNL     1      -1.411   1.543  -2.105  1.00  0.00           H  
HETATM   21  H4  UNL     1       0.921   1.587  -1.610  1.00  0.00           H  
CONECT    1    2    2    2
CONECT    2    3
CONECT    3    4    4   14
CONECT    4    5   18
CONECT    5    6   12   12
CONECT    6    7   19
CONECT    7    8    8    9
CONECT    9   10   10   11
CONECT   11   12   20
CONECT   12   13
CONECT   13   14   14   21
CONECT   14   15
CONECT   15   16   16   17
END