COMPND    HMDB0040334
HETATM    1  C1  UNL     1       2.160  -1.480   0.570  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.298   0.026   0.484  1.00  0.00           C  
HETATM    3  C3  UNL     1       3.782   0.304   0.257  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.536   0.567  -0.665  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.066   0.312  -0.655  1.00  0.00           C  
HETATM    6  N1  UNL     1      -0.564   0.890   0.520  1.00  0.00           N  
HETATM    7  C6  UNL     1      -1.830   1.448   0.083  1.00  0.00           C  
HETATM    8  C7  UNL     1      -2.377   2.477   1.021  1.00  0.00           C  
HETATM    9  S1  UNL     1      -2.956   0.098  -0.257  1.00  0.00           S  
HETATM   10  C8  UNL     1      -2.162  -1.522  -0.203  1.00  0.00           C  
HETATM   11  C9  UNL     1      -2.911  -2.438  -1.150  1.00  0.00           C  
HETATM   12  S2  UNL     1      -0.404  -1.411  -0.717  1.00  0.00           S  
HETATM   13  H1  UNL     1       1.259  -1.684   1.191  1.00  0.00           H  
HETATM   14  H2  UNL     1       2.070  -1.930  -0.419  1.00  0.00           H  
HETATM   15  H3  UNL     1       3.052  -1.918   1.091  1.00  0.00           H  
HETATM   16  H4  UNL     1       2.049   0.514   1.448  1.00  0.00           H  
HETATM   17  H5  UNL     1       3.945   1.402   0.316  1.00  0.00           H  
HETATM   18  H6  UNL     1       4.069  -0.020  -0.778  1.00  0.00           H  
HETATM   19  H7  UNL     1       4.338  -0.259   1.020  1.00  0.00           H  
HETATM   20  H8  UNL     1       1.659   1.691  -0.652  1.00  0.00           H  
HETATM   21  H9  UNL     1       2.026   0.247  -1.607  1.00  0.00           H  
HETATM   22  H10 UNL     1      -0.338   0.795  -1.594  1.00  0.00           H  
HETATM   23  H11 UNL     1       0.030   1.546   1.031  1.00  0.00           H  
HETATM   24  H12 UNL     1      -1.613   1.956  -0.900  1.00  0.00           H  
HETATM   25  H13 UNL     1      -3.185   2.082   1.681  1.00  0.00           H  
HETATM   26  H14 UNL     1      -2.770   3.378   0.481  1.00  0.00           H  
HETATM   27  H15 UNL     1      -1.570   2.884   1.688  1.00  0.00           H  
HETATM   28  H16 UNL     1      -2.219  -1.960   0.811  1.00  0.00           H  
HETATM   29  H17 UNL     1      -2.534  -3.473  -1.136  1.00  0.00           H  
HETATM   30  H18 UNL     1      -2.946  -2.040  -2.176  1.00  0.00           H  
HETATM   31  H19 UNL     1      -3.959  -2.481  -0.780  1.00  0.00           H  
CONECT    1    2   13   14   15
CONECT    2    3    4   16
CONECT    3   17   18   19
CONECT    4    5   20   21
CONECT    5    6   12   22
CONECT    6    7   23
CONECT    7    8    9   24
CONECT    8   25   26   27
CONECT    9   10
CONECT   10   11   12   28
CONECT   11   29   30   31
END