COMPND    HMDB0062775
HETATM    1  C1  UNL     1      -3.944   1.010   0.205  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.064   0.336   0.892  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.710   0.079   0.432  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.205   0.512  -0.768  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.113   0.224  -1.142  1.00  0.00           C  
HETATM    6  C6  UNL     1       0.950  -0.502  -0.322  1.00  0.00           C  
HETATM    7  O1  UNL     1       2.264  -0.792  -0.690  1.00  0.00           O  
HETATM    8  S1  UNL     1       3.528   0.283  -0.272  1.00  0.00           S  
HETATM    9  O2  UNL     1       3.684   0.378   1.229  1.00  0.00           O  
HETATM   10  O3  UNL     1       3.259   1.670  -0.776  1.00  0.00           O  
HETATM   11  O4  UNL     1       4.975  -0.257  -0.898  1.00  0.00           O  
HETATM   12  C7  UNL     1       0.436  -0.927   0.869  1.00  0.00           C  
HETATM   13  C8  UNL     1      -0.841  -0.654   1.243  1.00  0.00           C  
HETATM   14  H1  UNL     1      -3.674   1.408  -0.760  1.00  0.00           H  
HETATM   15  H2  UNL     1      -4.960   1.186   0.584  1.00  0.00           H  
HETATM   16  H3  UNL     1      -3.368  -0.047   1.854  1.00  0.00           H  
HETATM   17  H4  UNL     1      -1.820   1.082  -1.443  1.00  0.00           H  
HETATM   18  H5  UNL     1       0.447   0.595  -2.102  1.00  0.00           H  
HETATM   19  H6  UNL     1       5.054  -0.178  -1.869  1.00  0.00           H  
HETATM   20  H7  UNL     1       1.094  -1.505   1.528  1.00  0.00           H  
HETATM   21  H8  UNL     1      -1.219  -1.009   2.204  1.00  0.00           H  
CONECT    1    2    2   14   15
CONECT    2    3   16
CONECT    3    4    4   13
CONECT    4    5   17
CONECT    5    6    6   18
CONECT    6    7   12
CONECT    7    8
CONECT    8    9    9   10   10
CONECT    8   11
CONECT   11   19
CONECT   12   13   13   20
CONECT   13   21
END