COMPND    HMDB0249599
HETATM    1  O1  UNL     1       0.895   0.995  -2.633  1.00  0.00           O  
HETATM    2  C1  UNL     1       0.621   0.461  -1.547  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.687   0.055  -1.068  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.794   1.076  -1.257  1.00  0.00           C  
HETATM    5  C4  UNL     1      -2.966   0.526  -0.519  1.00  0.00           C  
HETATM    6  C5  UNL     1      -2.891  -0.345   0.478  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.591  -0.874   0.976  1.00  0.00           C  
HETATM    8  C7  UNL     1      -0.507   0.001   0.462  1.00  0.00           C  
HETATM    9  C8  UNL     1       0.858  -0.515   0.551  1.00  0.00           C  
HETATM   10  O2  UNL     1       1.360  -1.321   1.344  1.00  0.00           O  
HETATM   11  N1  UNL     1       1.561   0.136  -0.537  1.00  0.00           N  
HETATM   12  S1  UNL     1       3.284   0.490  -0.639  1.00  0.00           S  
HETATM   13  C9  UNL     1       4.190  -0.208   0.739  1.00  0.00           C  
HETATM   14 CL1  UNL     1       3.706   0.579   2.274  1.00  0.00          CL  
HETATM   15 CL2  UNL     1       5.922   0.225   0.507  1.00  0.00          CL  
HETATM   16 CL3  UNL     1       4.080  -1.962   0.817  1.00  0.00          CL  
HETATM   17  H1  UNL     1      -1.041  -0.931  -1.418  1.00  0.00           H  
HETATM   18  H2  UNL     1      -2.007   1.245  -2.327  1.00  0.00           H  
HETATM   19  H3  UNL     1      -1.476   2.063  -0.848  1.00  0.00           H  
HETATM   20  H4  UNL     1      -3.987   0.837  -0.790  1.00  0.00           H  
HETATM   21  H5  UNL     1      -3.805  -0.715   0.984  1.00  0.00           H  
HETATM   22  H6  UNL     1      -1.463  -1.893   0.519  1.00  0.00           H  
HETATM   23  H7  UNL     1      -1.636  -0.947   2.080  1.00  0.00           H  
HETATM   24  H8  UNL     1      -0.624   1.022   0.876  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   11
CONECT    3    4    8   17
CONECT    4    5   18   19
CONECT    5    6    6   20
CONECT    6    7   21
CONECT    7    8   22   23
CONECT    8    9   24
CONECT    9   10   10   11
CONECT   11   12
CONECT   12   13
CONECT   13   14   15   16
END