COMPND    HMDB0094658
HETATM    1  C1  UNL     1       4.511   1.709   0.004  1.00  0.00           C  
HETATM    2  S1  UNL     1       3.215   1.004  -1.061  1.00  0.00           S  
HETATM    3  C2  UNL     1       1.757   0.665  -0.093  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.178  -0.530  -0.107  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.762  -1.606  -0.948  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.011  -0.724   0.712  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.247  -1.115  -0.045  1.00  0.00           C  
HETATM    8  O1  UNL     1      -1.094  -2.310  -0.738  1.00  0.00           O  
HETATM    9  C7  UNL     1      -2.335  -1.289   0.932  1.00  0.00           C  
HETATM   10  C8  UNL     1      -2.974  -0.236   1.384  1.00  0.00           C  
HETATM   11  C9  UNL     1      -2.672   1.132   0.973  1.00  0.00           C  
HETATM   12  C10 UNL     1      -1.934   1.271  -0.314  1.00  0.00           C  
HETATM   13  C11 UNL     1      -1.659  -0.032  -1.012  1.00  0.00           C  
HETATM   14  H1  UNL     1       5.395   1.972  -0.584  1.00  0.00           H  
HETATM   15  H2  UNL     1       4.124   2.635   0.508  1.00  0.00           H  
HETATM   16  H3  UNL     1       4.807   0.957   0.773  1.00  0.00           H  
HETATM   17  H4  UNL     1       1.361   1.493   0.513  1.00  0.00           H  
HETATM   18  H5  UNL     1       2.875  -1.598  -0.938  1.00  0.00           H  
HETATM   19  H6  UNL     1       1.470  -1.488  -2.014  1.00  0.00           H  
HETATM   20  H7  UNL     1       1.461  -2.600  -0.547  1.00  0.00           H  
HETATM   21  H8  UNL     1       0.227  -1.549   1.448  1.00  0.00           H  
HETATM   22  H9  UNL     1      -0.236   0.184   1.297  1.00  0.00           H  
HETATM   23  H10 UNL     1      -0.986  -2.177  -1.720  1.00  0.00           H  
HETATM   24  H11 UNL     1      -2.604  -2.267   1.273  1.00  0.00           H  
HETATM   25  H12 UNL     1      -3.796  -0.352   2.123  1.00  0.00           H  
HETATM   26  H13 UNL     1      -3.642   1.707   0.940  1.00  0.00           H  
HETATM   27  H14 UNL     1      -2.087   1.628   1.775  1.00  0.00           H  
HETATM   28  H15 UNL     1      -2.534   1.890  -1.013  1.00  0.00           H  
HETATM   29  H16 UNL     1      -0.959   1.802  -0.173  1.00  0.00           H  
HETATM   30  H17 UNL     1      -2.534  -0.349  -1.591  1.00  0.00           H  
HETATM   31  H18 UNL     1      -0.841   0.175  -1.757  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3
CONECT    3    4    4   17
CONECT    4    5    6
CONECT    5   18   19   20
CONECT    6    7   21   22
CONECT    7    8    9   13
CONECT    8   23
CONECT    9   10   10   24
CONECT   10   11   25
CONECT   11   12   26   27
CONECT   12   13   28   29
CONECT   13   30   31
END