COMPND    HMDB0302763
HETATM    1  O1  UNL     1      -4.638  -1.624  -2.273  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.733  -0.824  -2.024  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.170  -0.640  -0.706  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.143   0.300  -0.538  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.546   0.544   0.679  1.00  0.00           C  
HETATM    6  S1  UNL     1      -0.287   1.724   0.780  1.00  0.00           S  
HETATM    7  O2  UNL     1      -0.334   2.357   2.131  1.00  0.00           O  
HETATM    8  O3  UNL     1      -0.533   2.763  -0.293  1.00  0.00           O  
HETATM    9  C5  UNL     1       1.293   1.058   0.515  1.00  0.00           C  
HETATM   10  C6  UNL     1       1.998   0.589   1.611  1.00  0.00           C  
HETATM   11  C7  UNL     1       3.264   0.044   1.478  1.00  0.00           C  
HETATM   12  C8  UNL     1       3.841  -0.034   0.221  1.00  0.00           C  
HETATM   13  O4  UNL     1       5.113  -0.582   0.098  1.00  0.00           O  
HETATM   14  C9  UNL     1       3.150   0.429  -0.870  1.00  0.00           C  
HETATM   15  C10 UNL     1       3.782   0.336  -2.194  1.00  0.00           C  
HETATM   16  O5  UNL     1       4.925  -0.155  -2.324  1.00  0.00           O  
HETATM   17  C11 UNL     1       1.897   0.963  -0.705  1.00  0.00           C  
HETATM   18  C12 UNL     1      -1.995  -0.177   1.755  1.00  0.00           C  
HETATM   19  C13 UNL     1      -2.998  -1.094   1.591  1.00  0.00           C  
HETATM   20  C14 UNL     1      -3.621  -1.359   0.359  1.00  0.00           C  
HETATM   21  O6  UNL     1      -4.617  -2.306   0.328  1.00  0.00           O  
HETATM   22  H1  UNL     1      -3.366  -0.238  -2.887  1.00  0.00           H  
HETATM   23  H2  UNL     1      -1.837   0.832  -1.422  1.00  0.00           H  
HETATM   24  H3  UNL     1       1.562   0.642   2.601  1.00  0.00           H  
HETATM   25  H4  UNL     1       3.810  -0.324   2.356  1.00  0.00           H  
HETATM   26  H5  UNL     1       5.612  -0.920   0.911  1.00  0.00           H  
HETATM   27  H6  UNL     1       3.274   0.686  -3.069  1.00  0.00           H  
HETATM   28  H7  UNL     1       1.371   1.321  -1.581  1.00  0.00           H  
HETATM   29  H8  UNL     1      -1.560  -0.024   2.733  1.00  0.00           H  
HETATM   30  H9  UNL     1      -3.357  -1.665   2.431  1.00  0.00           H  
HETATM   31  H10 UNL     1      -5.155  -2.623  -0.409  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   22
CONECT    3    4    4   20
CONECT    4    5   23
CONECT    5    6   18   18
CONECT    6    7    7    8    8
CONECT    6    9
CONECT    9   10   10   17
CONECT   10   11   24
CONECT   11   12   12   25
CONECT   12   13   14
CONECT   13   26
CONECT   14   15   17   17
CONECT   15   16   16   27
CONECT   17   28
CONECT   18   19   29
CONECT   19   20   20   30
CONECT   20   21
CONECT   21   31
END