COMPND    HMDB0013204
HETATM    1  O1  UNL     1      -5.124   0.330  -0.826  1.00  0.00           O  
HETATM    2  C1  UNL     1      -4.636  -0.260   0.171  1.00  0.00           C  
HETATM    3  O2  UNL     1      -5.289  -1.385   0.637  1.00  0.00           O  
HETATM    4  C2  UNL     1      -3.398   0.312   0.753  1.00  0.00           C  
HETATM    5  C3  UNL     1      -2.236  -0.248  -0.025  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.936   0.252   0.462  1.00  0.00           C  
HETATM    7  O3  UNL     1      -0.955   1.039   1.445  1.00  0.00           O  
HETATM    8  N1  UNL     1       0.299  -0.117  -0.127  1.00  0.00           N  
HETATM    9  C5  UNL     1       1.535   0.366   0.334  1.00  0.00           C  
HETATM   10  N2  UNL     1       1.598   1.223   1.366  1.00  0.00           N  
HETATM   11  C6  UNL     1       2.798   1.699   1.809  1.00  0.00           C  
HETATM   12  N3  UNL     1       3.955   1.340   1.243  1.00  0.00           N  
HETATM   13  C7  UNL     1       3.935   0.489   0.213  1.00  0.00           C  
HETATM   14  N4  UNL     1       4.925  -0.024  -0.517  1.00  0.00           N  
HETATM   15  C8  UNL     1       4.367  -0.836  -1.437  1.00  0.00           C  
HETATM   16  N5  UNL     1       3.032  -0.830  -1.280  1.00  0.00           N  
HETATM   17  C9  UNL     1       2.715  -0.013  -0.257  1.00  0.00           C  
HETATM   18  H1  UNL     1      -5.604  -2.152   0.063  1.00  0.00           H  
HETATM   19  H2  UNL     1      -3.424   1.422   0.727  1.00  0.00           H  
HETATM   20  H3  UNL     1      -3.356   0.032   1.819  1.00  0.00           H  
HETATM   21  H4  UNL     1      -2.250  -1.364   0.161  1.00  0.00           H  
HETATM   22  H5  UNL     1      -2.363  -0.129  -1.115  1.00  0.00           H  
HETATM   23  H6  UNL     1       0.282  -0.769  -0.937  1.00  0.00           H  
HETATM   24  H7  UNL     1       2.852   2.397   2.650  1.00  0.00           H  
HETATM   25  H8  UNL     1       4.936  -1.399  -2.179  1.00  0.00           H  
HETATM   26  H9  UNL     1       2.343  -1.375  -1.860  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   18
CONECT    4    5   19   20
CONECT    5    6   21   22
CONECT    6    7    7    8
CONECT    8    9   23
CONECT    9   10   10   17
CONECT   10   11
CONECT   11   12   12   24
CONECT   12   13
CONECT   13   14   17   17
CONECT   14   15   15
CONECT   15   16   25
CONECT   16   17   26
END