COMPND    HMDB0031671
HETATM    1  C1  UNL     1      -2.011  -2.196  -0.236  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.081  -1.195  -0.930  1.00  0.00           C  
HETATM    3  S1  UNL     1       0.572  -1.470  -0.270  1.00  0.00           S  
HETATM    4  C3  UNL     1       1.718  -0.138  -0.677  1.00  0.00           C  
HETATM    5  C4  UNL     1       3.058  -0.511  -0.040  1.00  0.00           C  
HETATM    6  S2  UNL     1       1.135   1.471  -0.127  1.00  0.00           S  
HETATM    7  C5  UNL     1      -0.595   1.411   0.420  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.119   2.785   0.663  1.00  0.00           C  
HETATM    9  S3  UNL     1      -1.640   0.498  -0.727  1.00  0.00           S  
HETATM   10  H1  UNL     1      -3.038  -1.804  -0.145  1.00  0.00           H  
HETATM   11  H2  UNL     1      -1.960  -3.160  -0.798  1.00  0.00           H  
HETATM   12  H3  UNL     1      -1.580  -2.429   0.776  1.00  0.00           H  
HETATM   13  H4  UNL     1      -1.057  -1.490  -2.014  1.00  0.00           H  
HETATM   14  H5  UNL     1       1.929  -0.074  -1.775  1.00  0.00           H  
HETATM   15  H6  UNL     1       3.445  -1.358  -0.646  1.00  0.00           H  
HETATM   16  H7  UNL     1       2.854  -0.929   0.975  1.00  0.00           H  
HETATM   17  H8  UNL     1       3.747   0.326   0.019  1.00  0.00           H  
HETATM   18  H9  UNL     1      -0.632   0.862   1.400  1.00  0.00           H  
HETATM   19  H10 UNL     1      -0.610   3.184   1.581  1.00  0.00           H  
HETATM   20  H11 UNL     1      -2.213   2.709   0.894  1.00  0.00           H  
HETATM   21  H12 UNL     1      -0.922   3.509  -0.135  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3    9   13
CONECT    3    4
CONECT    4    5    6   14
CONECT    5   15   16   17
CONECT    6    7
CONECT    7    8    9   18
CONECT    8   19   20   21
END