COMPND    HMDB0246838
HETATM    1  O1  UNL     1       3.251   2.247   1.179  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.503   1.072   0.957  1.00  0.00           C  
HETATM    3  N1  UNL     1       1.383   0.857   1.554  1.00  0.00           N  
HETATM    4  C2  UNL     1       0.886  -0.414   1.111  1.00  0.00           C  
HETATM    5  C3  UNL     1      -0.414  -0.226   0.410  1.00  0.00           C  
HETATM    6  C4  UNL     1      -1.447  -1.085   0.709  1.00  0.00           C  
HETATM    7  C5  UNL     1      -2.650  -0.915   0.064  1.00  0.00           C  
HETATM    8  C6  UNL     1      -2.767   0.108  -0.852  1.00  0.00           C  
HETATM    9  C7  UNL     1      -1.738   0.971  -1.156  1.00  0.00           C  
HETATM   10  C8  UNL     1      -0.531   0.795  -0.505  1.00  0.00           C  
HETATM   11  C9  UNL     1       1.904  -0.895   0.160  1.00  0.00           C  
HETATM   12  O2  UNL     1       1.841  -2.089  -0.518  1.00  0.00           O  
HETATM   13  N2  UNL     1       2.822  -0.006   0.100  1.00  0.00           N  
HETATM   14  H1  UNL     1       3.034   3.007   0.535  1.00  0.00           H  
HETATM   15  H2  UNL     1       0.793  -1.158   1.925  1.00  0.00           H  
HETATM   16  H3  UNL     1      -1.306  -1.884   1.445  1.00  0.00           H  
HETATM   17  H4  UNL     1      -3.496  -1.587   0.282  1.00  0.00           H  
HETATM   18  H5  UNL     1      -3.730   0.228  -1.355  1.00  0.00           H  
HETATM   19  H6  UNL     1      -1.918   1.745  -1.887  1.00  0.00           H  
HETATM   20  H7  UNL     1       0.288   1.463  -0.731  1.00  0.00           H  
HETATM   21  H8  UNL     1       1.290  -2.234  -1.351  1.00  0.00           H  
CONECT    1    2   14
CONECT    2    3    3   13
CONECT    3    4
CONECT    4    5   11   15
CONECT    5    6    6   10
CONECT    6    7   16
CONECT    7    8    8   17
CONECT    8    9   18
CONECT    9   10   10   19
CONECT   10   20
CONECT   11   12   13   13
CONECT   12   21
END