COMPND    HMDB0039459
HETATM    1  C1  UNL     1      -4.519   1.226  -0.502  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.236   0.009  -0.963  1.00  0.00           C  
HETATM    3  C3  UNL     1      -4.610  -1.193  -0.167  1.00  0.00           C  
HETATM    4  S1  UNL     1      -3.131  -2.166   0.255  1.00  0.00           S  
HETATM    5  S2  UNL     1      -1.865  -1.063   1.583  1.00  0.00           S  
HETATM    6  S3  UNL     1      -0.463   0.101   0.465  1.00  0.00           S  
HETATM    7  S4  UNL     1       1.282  -1.091   0.155  1.00  0.00           S  
HETATM    8  S5  UNL     1       2.599  -0.743   1.788  1.00  0.00           S  
HETATM    9  C4  UNL     1       3.679   0.650   1.337  1.00  0.00           C  
HETATM   10  C5  UNL     1       4.564   0.266   0.207  1.00  0.00           C  
HETATM   11  C6  UNL     1       5.865   0.303   0.381  1.00  0.00           C  
HETATM   12  H1  UNL     1      -5.011   1.407   0.428  1.00  0.00           H  
HETATM   13  H2  UNL     1      -4.242   2.100  -1.092  1.00  0.00           H  
HETATM   14  H3  UNL     1      -3.742  -0.115  -1.903  1.00  0.00           H  
HETATM   15  H4  UNL     1      -5.123  -0.875   0.756  1.00  0.00           H  
HETATM   16  H5  UNL     1      -5.243  -1.857  -0.798  1.00  0.00           H  
HETATM   17  H6  UNL     1       3.023   1.481   1.007  1.00  0.00           H  
HETATM   18  H7  UNL     1       4.274   0.960   2.226  1.00  0.00           H  
HETATM   19  H8  UNL     1       4.097  -0.033  -0.725  1.00  0.00           H  
HETATM   20  H9  UNL     1       6.281   0.605   1.321  1.00  0.00           H  
HETATM   21  H10 UNL     1       6.520   0.028  -0.425  1.00  0.00           H  
CONECT    1    2    2   12   13
CONECT    2    3   14
CONECT    3    4   15   16
CONECT    4    5
CONECT    5    6
CONECT    6    7
CONECT    7    8
CONECT    8    9
CONECT    9   10   17   18
CONECT   10   11   11   19
CONECT   11   20   21
END