COMPND    HMDB0013318
HETATM    1  N1  UNL     1      -4.071   0.373  -0.921  1.00  0.00           N  
HETATM    2  C1  UNL     1      -3.343   0.362   0.280  1.00  0.00           C  
HETATM    3  O1  UNL     1      -3.798   0.906   1.299  1.00  0.00           O  
HETATM    4  C2  UNL     1      -2.025  -0.302   0.328  1.00  0.00           C  
HETATM    5  N2  UNL     1      -1.463  -0.193   1.635  1.00  0.00           N  
HETATM    6  C3  UNL     1      -1.208   0.273  -0.784  1.00  0.00           C  
HETATM    7  C4  UNL     1       0.153  -0.256  -0.913  1.00  0.00           C  
HETATM    8  C5  UNL     1       0.644  -1.220  -1.787  1.00  0.00           C  
HETATM    9  N3  UNL     1       1.949  -1.423  -1.552  1.00  0.00           N  
HETATM   10  C6  UNL     1       2.369  -0.626  -0.543  1.00  0.00           C  
HETATM   11  C7  UNL     1       3.614  -0.470   0.053  1.00  0.00           C  
HETATM   12  C8  UNL     1       3.793   0.426   1.077  1.00  0.00           C  
HETATM   13  C9  UNL     1       2.694   1.148   1.476  1.00  0.00           C  
HETATM   14  C10 UNL     1       1.456   0.998   0.889  1.00  0.00           C  
HETATM   15  C11 UNL     1       1.253   0.093  -0.153  1.00  0.00           C  
HETATM   16  H1  UNL     1      -4.288  -0.518  -1.434  1.00  0.00           H  
HETATM   17  H2  UNL     1      -4.428   1.254  -1.360  1.00  0.00           H  
HETATM   18  H3  UNL     1      -2.232  -1.396   0.183  1.00  0.00           H  
HETATM   19  H4  UNL     1      -1.502   0.748   2.050  1.00  0.00           H  
HETATM   20  H5  UNL     1      -1.794  -0.912   2.295  1.00  0.00           H  
HETATM   21  H6  UNL     1      -1.781   0.148  -1.723  1.00  0.00           H  
HETATM   22  H7  UNL     1      -1.157   1.379  -0.610  1.00  0.00           H  
HETATM   23  H8  UNL     1       0.018  -1.705  -2.529  1.00  0.00           H  
HETATM   24  H9  UNL     1       2.597  -2.096  -2.056  1.00  0.00           H  
HETATM   25  H10 UNL     1       4.479  -1.037  -0.260  1.00  0.00           H  
HETATM   26  H11 UNL     1       4.723   0.595   1.579  1.00  0.00           H  
HETATM   27  H12 UNL     1       2.757   1.877   2.281  1.00  0.00           H  
HETATM   28  H13 UNL     1       0.592   1.575   1.200  1.00  0.00           H  
CONECT    1    2   16   17
CONECT    2    3    3    4
CONECT    4    5    6   18
CONECT    5   19   20
CONECT    6    7   21   22
CONECT    7    8    8   15
CONECT    8    9   23
CONECT    9   10   24
CONECT   10   11   11   15
CONECT   11   12   25
CONECT   12   13   13   26
CONECT   13   14   27
CONECT   14   15   15   28
END