COMPND    HMDB0060599
HETATM    1  N1  UNL     1       4.959  -0.548  -1.026  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.584  -0.468  -0.670  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.872   0.706  -0.819  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.539   0.756  -0.466  1.00  0.00           C  
HETATM    5  N2  UNL     1       0.876  -0.308   0.030  1.00  0.00           N  
HETATM    6  C4  UNL     1      -0.493  -0.261   0.393  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.843   0.964   1.254  1.00  0.00           C  
HETATM    8  S1  UNL     1      -2.659   0.770   1.147  1.00  0.00           S  
HETATM    9  O1  UNL     1      -3.066   0.011   2.409  1.00  0.00           O  
HETATM   10  C6  UNL     1      -2.634  -0.459  -0.205  1.00  0.00           C  
HETATM   11  C7  UNL     1      -3.680  -0.038  -1.185  1.00  0.00           C  
HETATM   12  O2  UNL     1      -3.511   1.348  -1.400  1.00  0.00           O  
HETATM   13  O3  UNL     1      -1.341  -0.198  -0.716  1.00  0.00           O  
HETATM   14  C8  UNL     1       1.606  -1.443   0.162  1.00  0.00           C  
HETATM   15  O4  UNL     1       0.985  -2.453   0.630  1.00  0.00           O  
HETATM   16  N3  UNL     1       2.906  -1.520  -0.174  1.00  0.00           N  
HETATM   17  H1  UNL     1       5.729  -0.331  -0.357  1.00  0.00           H  
HETATM   18  H2  UNL     1       5.221  -0.832  -1.985  1.00  0.00           H  
HETATM   19  H3  UNL     1       3.395   1.560  -1.214  1.00  0.00           H  
HETATM   20  H4  UNL     1       0.973   1.680  -0.582  1.00  0.00           H  
HETATM   21  H5  UNL     1      -0.734  -1.146   1.024  1.00  0.00           H  
HETATM   22  H6  UNL     1      -0.486   0.820   2.271  1.00  0.00           H  
HETATM   23  H7  UNL     1      -0.537   1.901   0.772  1.00  0.00           H  
HETATM   24  H8  UNL     1      -2.726  -1.474   0.173  1.00  0.00           H  
HETATM   25  H9  UNL     1      -4.670  -0.194  -0.723  1.00  0.00           H  
HETATM   26  H10 UNL     1      -3.640  -0.591  -2.149  1.00  0.00           H  
HETATM   27  H11 UNL     1      -3.625   1.749  -0.484  1.00  0.00           H  
CONECT    1    2   17   18
CONECT    2    3   16   16
CONECT    3    4    4   19
CONECT    4    5   20
CONECT    5    6   14
CONECT    6    7   13   21
CONECT    7    8   22   23
CONECT    8    9    9   10
CONECT   10   11   13   24
CONECT   11   12   25   26
CONECT   12   27
CONECT   14   15   15   16
END