COMPND    HMDB0246606
HETATM    1  C1  UNL     1      -3.043  -1.054   0.569  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.945  -0.870  -0.265  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.922   0.312  -0.961  1.00  0.00           C  
HETATM    4  S1  UNL     1      -0.602   0.726  -2.075  1.00  0.00           S  
HETATM    5  S2  UNL     1       0.867   1.748  -0.928  1.00  0.00           S  
HETATM    6  C4  UNL     1       1.999   0.559  -0.294  1.00  0.00           C  
HETATM    7  C5  UNL     1       3.055   1.004   0.494  1.00  0.00           C  
HETATM    8  C6  UNL     1       3.984   0.148   1.029  1.00  0.00           C  
HETATM    9  N1  UNL     1       3.892  -1.184   0.797  1.00  0.00           N  
HETATM   10  C7  UNL     1       2.885  -1.636   0.042  1.00  0.00           C  
HETATM   11  C8  UNL     1       1.928  -0.794  -0.515  1.00  0.00           C  
HETATM   12  C9  UNL     1      -2.941   1.224  -0.810  1.00  0.00           C  
HETATM   13  C10 UNL     1      -4.014   0.986   0.039  1.00  0.00           C  
HETATM   14  N2  UNL     1      -4.021  -0.169   0.708  1.00  0.00           N  
HETATM   15  H1  UNL     1      -3.098  -1.985   1.141  1.00  0.00           H  
HETATM   16  H2  UNL     1      -1.157  -1.592  -0.372  1.00  0.00           H  
HETATM   17  H3  UNL     1       3.169   2.059   0.706  1.00  0.00           H  
HETATM   18  H4  UNL     1       4.798   0.531   1.641  1.00  0.00           H  
HETATM   19  H5  UNL     1       2.786  -2.711  -0.163  1.00  0.00           H  
HETATM   20  H6  UNL     1       1.110  -1.172  -1.129  1.00  0.00           H  
HETATM   21  H7  UNL     1      -2.921   2.158  -1.361  1.00  0.00           H  
HETATM   22  H8  UNL     1      -4.809   1.711   0.148  1.00  0.00           H  
CONECT    1    2    2   14   15
CONECT    2    3   16
CONECT    3    4   12   12
CONECT    4    5
CONECT    5    6
CONECT    6    7    7   11
CONECT    7    8   17
CONECT    8    9    9   18
CONECT    9   10
CONECT   10   11   11   19
CONECT   11   20
CONECT   12   13   21
CONECT   13   14   14   22
END