COMPND    HMDB0015128
HETATM    1  C1  UNL     1      -2.037   0.116  -2.443  1.00  0.00           C  
HETATM    2  N1  UNL     1      -2.492   0.184  -1.052  1.00  0.00           N  
HETATM    3  C2  UNL     1      -3.636   0.726  -0.595  1.00  0.00           C  
HETATM    4  N2  UNL     1      -3.702   0.596   0.744  1.00  0.00           N  
HETATM    5  C3  UNL     1      -2.592  -0.040   1.180  1.00  0.00           C  
HETATM    6  N3  UNL     1      -2.282  -0.370   2.537  1.00  0.00           N1+
HETATM    7  O1  UNL     1      -1.617  -1.387   2.841  1.00  0.00           O  
HETATM    8  O2  UNL     1      -2.724   0.451   3.558  1.00  0.00           O1-
HETATM    9  C4  UNL     1      -1.856  -0.285   0.038  1.00  0.00           C  
HETATM   10  S1  UNL     1      -0.279  -1.108   0.015  1.00  0.00           S  
HETATM   11  C5  UNL     1       1.058   0.062   0.177  1.00  0.00           C  
HETATM   12  N4  UNL     1       0.869   1.376   0.299  1.00  0.00           N  
HETATM   13  C6  UNL     1       1.956   2.184   0.416  1.00  0.00           C  
HETATM   14  N5  UNL     1       3.198   1.680   0.412  1.00  0.00           N  
HETATM   15  C7  UNL     1       3.450   0.366   0.293  1.00  0.00           C  
HETATM   16  N6  UNL     1       4.584  -0.382   0.260  1.00  0.00           N  
HETATM   17  C8  UNL     1       4.195  -1.662   0.122  1.00  0.00           C  
HETATM   18  N7  UNL     1       2.851  -1.709   0.069  1.00  0.00           N  
HETATM   19  C9  UNL     1       2.351  -0.464   0.172  1.00  0.00           C  
HETATM   20  H1  UNL     1      -1.975  -0.937  -2.798  1.00  0.00           H  
HETATM   21  H2  UNL     1      -1.033   0.587  -2.465  1.00  0.00           H  
HETATM   22  H3  UNL     1      -2.777   0.626  -3.067  1.00  0.00           H  
HETATM   23  H4  UNL     1      -4.378   1.197  -1.255  1.00  0.00           H  
HETATM   24  H5  UNL     1       1.737   3.244   0.512  1.00  0.00           H  
HETATM   25  H6  UNL     1       4.892  -2.487   0.066  1.00  0.00           H  
HETATM   26  H7  UNL     1       2.240  -2.566  -0.036  1.00  0.00           H  
CONECT    1    2   20   21   22
CONECT    2    3    9
CONECT    3    4    4   23
CONECT    4    5
CONECT    5    6    9    9
CONECT    6    7    7    8
CONECT    9   10
CONECT   10   11
CONECT   11   12   12   19
CONECT   12   13
CONECT   13   14   14   24
CONECT   14   15
CONECT   15   16   19   19
CONECT   16   17   17
CONECT   17   18   25
CONECT   18   19   26
END