COMPND    HMDB0245799
HETATM    1  O1  UNL     1       0.991  -1.927   1.748  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.022  -1.023   0.876  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.273  -0.488   0.355  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.485  -0.962   0.807  1.00  0.00           C  
HETATM    5  C4  UNL     1       4.683  -0.472   0.329  1.00  0.00           C  
HETATM    6  C5  UNL     1       4.664   0.521  -0.629  1.00  0.00           C  
HETATM    7  C6  UNL     1       3.478   1.025  -1.109  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.305   0.502  -0.600  1.00  0.00           C  
HETATM    9  C8  UNL     1       1.007   1.013  -1.087  1.00  0.00           C  
HETATM   10  O2  UNL     1       1.049   1.923  -1.964  1.00  0.00           O  
HETATM   11  C9  UNL     1      -0.245   0.478  -0.566  1.00  0.00           C  
HETATM   12  C10 UNL     1      -0.270  -0.518   0.394  1.00  0.00           C  
HETATM   13  C11 UNL     1      -1.448  -1.049   0.911  1.00  0.00           C  
HETATM   14  C12 UNL     1      -2.661  -0.583   0.468  1.00  0.00           C  
HETATM   15  S1  UNL     1      -4.180  -1.216   1.085  1.00  0.00           S  
HETATM   16  O3  UNL     1      -3.914  -2.255   2.136  1.00  0.00           O  
HETATM   17  O4  UNL     1      -4.928  -1.816  -0.082  1.00  0.00           O  
HETATM   18  O5  UNL     1      -5.092   0.001   1.805  1.00  0.00           O  
HETATM   19  C13 UNL     1      -2.651   0.401  -0.481  1.00  0.00           C  
HETATM   20  O6  UNL     1      -3.866   0.876  -0.934  1.00  0.00           O  
HETATM   21  C14 UNL     1      -1.466   0.953  -1.018  1.00  0.00           C  
HETATM   22  O7  UNL     1      -1.530   1.921  -1.952  1.00  0.00           O  
HETATM   23  H1  UNL     1       3.470  -1.750   1.566  1.00  0.00           H  
HETATM   24  H2  UNL     1       5.622  -0.878   0.717  1.00  0.00           H  
HETATM   25  H3  UNL     1       5.610   0.897  -0.995  1.00  0.00           H  
HETATM   26  H4  UNL     1       3.440   1.817  -1.872  1.00  0.00           H  
HETATM   27  H5  UNL     1      -1.409  -1.813   1.648  1.00  0.00           H  
HETATM   28  H6  UNL     1      -4.577   0.344   2.570  1.00  0.00           H  
HETATM   29  H7  UNL     1      -3.873   1.602  -1.634  1.00  0.00           H  
HETATM   30  H8  UNL     1      -0.987   2.478  -2.491  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   12
CONECT    3    4    4    8
CONECT    4    5   23
CONECT    5    6    6   24
CONECT    6    7   25
CONECT    7    8    8   26
CONECT    8    9
CONECT    9   10   10   11
CONECT   11   12   12   21
CONECT   12   13
CONECT   13   14   14   27
CONECT   14   15   19
CONECT   15   16   16   17   17
CONECT   15   18
CONECT   18   28
CONECT   19   20   21   21
CONECT   20   29
CONECT   21   22
CONECT   22   30
END