COMPND    HMDB0040236
HETATM    1  C1  UNL     1       2.586   0.909   0.191  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.123   0.852   0.062  1.00  0.00           C  
HETATM    3  C3  UNL     1       0.618  -0.528  -0.306  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.469  -1.477  -0.790  1.00  0.00           C  
HETATM    5  S1  UNL     1       0.469  -2.824  -1.027  1.00  0.00           S  
HETATM    6  C5  UNL     1      -1.009  -2.155  -0.507  1.00  0.00           C  
HETATM    7  C6  UNL     1      -0.673  -0.879  -0.157  1.00  0.00           C  
HETATM    8  C7  UNL     1      -1.777   0.037   0.337  1.00  0.00           C  
HETATM    9  C8  UNL     1      -2.292   0.914  -0.751  1.00  0.00           C  
HETATM   10  H1  UNL     1       3.145  -0.042   0.168  1.00  0.00           H  
HETATM   11  H2  UNL     1       2.991   1.585  -0.597  1.00  0.00           H  
HETATM   12  H3  UNL     1       2.932   1.390   1.161  1.00  0.00           H  
HETATM   13  H4  UNL     1       0.677   1.566  -0.655  1.00  0.00           H  
HETATM   14  H5  UNL     1       0.682   1.142   1.057  1.00  0.00           H  
HETATM   15  H6  UNL     1       2.522  -1.518  -1.018  1.00  0.00           H  
HETATM   16  H7  UNL     1      -1.990  -2.654  -0.479  1.00  0.00           H  
HETATM   17  H8  UNL     1      -1.383   0.668   1.170  1.00  0.00           H  
HETATM   18  H9  UNL     1      -2.621  -0.533   0.758  1.00  0.00           H  
HETATM   19  H10 UNL     1      -3.156   0.442  -1.304  1.00  0.00           H  
HETATM   20  H11 UNL     1      -2.764   1.812  -0.275  1.00  0.00           H  
HETATM   21  H12 UNL     1      -1.547   1.295  -1.466  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3   13   14
CONECT    3    4    4    7
CONECT    4    5   15
CONECT    5    6
CONECT    6    7    7   16
CONECT    7    8
CONECT    8    9   17   18
CONECT    9   19   20   21
END