COMPND    HMDB0244118
HETATM    1  N1  UNL     1      -4.100  -0.368  -1.101  1.00  0.00           N  
HETATM    2  S1  UNL     1      -3.455   0.096   0.426  1.00  0.00           S  
HETATM    3  O1  UNL     1      -3.679  -0.940   1.481  1.00  0.00           O  
HETATM    4  O2  UNL     1      -4.075   1.385   0.870  1.00  0.00           O  
HETATM    5  C1  UNL     1      -1.721   0.319   0.243  1.00  0.00           C  
HETATM    6  C2  UNL     1      -1.236   1.564  -0.104  1.00  0.00           C  
HETATM    7  C3  UNL     1       0.137   1.760  -0.254  1.00  0.00           C  
HETATM    8  C4  UNL     1       1.023   0.721  -0.058  1.00  0.00           C  
HETATM    9  C5  UNL     1       0.510  -0.513   0.289  1.00  0.00           C  
HETATM   10  C6  UNL     1      -0.838  -0.730   0.442  1.00  0.00           C  
HETATM   11  C7  UNL     1       1.505  -1.613   0.492  1.00  0.00           C  
HETATM   12  N2  UNL     1       2.533  -1.424  -0.524  1.00  0.00           N  
HETATM   13  C8  UNL     1       3.316  -0.229  -0.167  1.00  0.00           C  
HETATM   14  C9  UNL     1       2.458   1.001  -0.233  1.00  0.00           C  
HETATM   15  H1  UNL     1      -3.325  -0.584  -1.790  1.00  0.00           H  
HETATM   16  H2  UNL     1      -4.735  -1.195  -1.023  1.00  0.00           H  
HETATM   17  H3  UNL     1      -1.948   2.361  -0.252  1.00  0.00           H  
HETATM   18  H4  UNL     1       0.492   2.738  -0.525  1.00  0.00           H  
HETATM   19  H5  UNL     1      -1.201  -1.712   0.714  1.00  0.00           H  
HETATM   20  H6  UNL     1       1.045  -2.609   0.299  1.00  0.00           H  
HETATM   21  H7  UNL     1       1.922  -1.512   1.503  1.00  0.00           H  
HETATM   22  H8  UNL     1       2.065  -1.191  -1.442  1.00  0.00           H  
HETATM   23  H9  UNL     1       3.812  -0.364   0.815  1.00  0.00           H  
HETATM   24  H10 UNL     1       4.135  -0.188  -0.918  1.00  0.00           H  
HETATM   25  H11 UNL     1       2.603   1.440  -1.253  1.00  0.00           H  
HETATM   26  H12 UNL     1       2.757   1.788   0.477  1.00  0.00           H  
CONECT    1    2   15   16
CONECT    2    3    3    4    4
CONECT    2    5
CONECT    5    6    6   10
CONECT    6    7   17
CONECT    7    8    8   18
CONECT    8    9   14
CONECT    9   10   10   11
CONECT   10   19
CONECT   11   12   20   21
CONECT   12   13   22
CONECT   13   14   23   24
CONECT   14   25   26
END