COMPND    HMDB0244644
HETATM    1  C1  UNL     1      -4.715   0.252   0.159  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.250   0.147   0.586  1.00  0.00           C  
HETATM    3  S1  UNL     1      -2.265   0.178  -0.937  1.00  0.00           S  
HETATM    4  C3  UNL     1      -0.522   0.060  -0.551  1.00  0.00           C  
HETATM    5  N1  UNL     1       0.060  -0.041   0.668  1.00  0.00           N  
HETATM    6  C4  UNL     1       1.396  -0.105   0.488  1.00  0.00           C  
HETATM    7  C5  UNL     1       2.492  -0.212   1.331  1.00  0.00           C  
HETATM    8  C6  UNL     1       3.774  -0.254   0.813  1.00  0.00           C  
HETATM    9  C7  UNL     1       4.013  -0.191  -0.556  1.00  0.00           C  
HETATM   10  C8  UNL     1       2.924  -0.084  -1.387  1.00  0.00           C  
HETATM   11  C9  UNL     1       1.643  -0.042  -0.878  1.00  0.00           C  
HETATM   12  N2  UNL     1       0.440   0.059  -1.491  1.00  0.00           N  
HETATM   13  H1  UNL     1      -4.925   1.307  -0.131  1.00  0.00           H  
HETATM   14  H2  UNL     1      -4.861  -0.424  -0.706  1.00  0.00           H  
HETATM   15  H3  UNL     1      -5.399   0.008   0.984  1.00  0.00           H  
HETATM   16  H4  UNL     1      -2.973   0.949   1.286  1.00  0.00           H  
HETATM   17  H5  UNL     1      -3.149  -0.875   1.036  1.00  0.00           H  
HETATM   18  H6  UNL     1       2.313  -0.263   2.401  1.00  0.00           H  
HETATM   19  H7  UNL     1       4.637  -0.339   1.475  1.00  0.00           H  
HETATM   20  H8  UNL     1       5.034  -0.226  -0.940  1.00  0.00           H  
HETATM   21  H9  UNL     1       3.046  -0.031  -2.460  1.00  0.00           H  
HETATM   22  H10 UNL     1       0.287   0.126  -2.528  1.00  0.00           H  
CONECT    1    2   13   14   15
CONECT    2    3   16   17
CONECT    3    4
CONECT    4    5    5   12
CONECT    5    6
CONECT    6    7    7   11
CONECT    7    8   18
CONECT    8    9    9   19
CONECT    9   10   20
CONECT   10   11   11   21
CONECT   11   12
CONECT   12   22
END