COMPND    HMDB0246417
HETATM    1  C1  UNL     1      -2.890   1.113  -0.159  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.799  -0.392  -0.187  1.00  0.00           C  
HETATM    3  O1  UNL     1      -1.665  -0.852   0.494  1.00  0.00           O  
HETATM    4  C3  UNL     1      -0.364  -0.559   0.205  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.077   0.243  -0.811  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.438   0.459  -0.996  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.386  -0.116  -0.177  1.00  0.00           C  
HETATM    8  N1  UNL     1       3.767   0.139  -0.410  1.00  0.00           N  
HETATM    9  C7  UNL     1       1.954  -0.920   0.842  1.00  0.00           C  
HETATM   10  C8  UNL     1       0.605  -1.140   1.033  1.00  0.00           C  
HETATM   11  H1  UNL     1      -1.983   1.558   0.346  1.00  0.00           H  
HETATM   12  H2  UNL     1      -2.918   1.460  -1.216  1.00  0.00           H  
HETATM   13  H3  UNL     1      -3.793   1.439   0.384  1.00  0.00           H  
HETATM   14  H4  UNL     1      -2.873  -0.794  -1.220  1.00  0.00           H  
HETATM   15  H5  UNL     1      -3.685  -0.784   0.351  1.00  0.00           H  
HETATM   16  H6  UNL     1      -0.656   0.696  -1.458  1.00  0.00           H  
HETATM   17  H7  UNL     1       1.760   1.105  -1.818  1.00  0.00           H  
HETATM   18  H8  UNL     1       4.268  -0.145  -1.274  1.00  0.00           H  
HETATM   19  H9  UNL     1       4.335   0.637   0.310  1.00  0.00           H  
HETATM   20  H10 UNL     1       2.716  -1.363   1.477  1.00  0.00           H  
HETATM   21  H11 UNL     1       0.319  -1.783   1.853  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3   14   15
CONECT    3    4
CONECT    4    5    5   10
CONECT    5    6   16
CONECT    6    7    7   17
CONECT    7    8    9
CONECT    8   18   19
CONECT    9   10   10   20
CONECT   10   21
END