COMPND    HMDB0041777
HETATM    1  C1  UNL     1      -5.964   1.012   1.883  1.00  0.00           C  
HETATM    2  O1  UNL     1      -5.281  -0.229   1.774  1.00  0.00           O  
HETATM    3  C2  UNL     1      -4.324  -0.407   0.785  1.00  0.00           C  
HETATM    4  C3  UNL     1      -4.634  -0.887  -0.458  1.00  0.00           C  
HETATM    5  O2  UNL     1      -5.947  -1.217  -0.773  1.00  0.00           O  
HETATM    6  C4  UNL     1      -3.660  -1.051  -1.416  1.00  0.00           C  
HETATM    7  C5  UNL     1      -2.325  -0.737  -1.162  1.00  0.00           C  
HETATM    8  O3  UNL     1      -1.419  -0.908  -2.104  1.00  0.00           O  
HETATM    9  C6  UNL     1      -0.144  -0.619  -1.892  1.00  0.00           C  
HETATM   10  C7  UNL     1       0.289  -0.129  -0.682  1.00  0.00           C  
HETATM   11  C8  UNL     1       1.675   0.203  -0.398  1.00  0.00           C  
HETATM   12  C9  UNL     1       2.269  -0.196   0.794  1.00  0.00           C  
HETATM   13  C10 UNL     1       3.568   0.084   1.124  1.00  0.00           C  
HETATM   14  C11 UNL     1       4.340   0.798   0.240  1.00  0.00           C  
HETATM   15  O4  UNL     1       5.654   1.069   0.599  1.00  0.00           O  
HETATM   16  S1  UNL     1       6.846  -0.060   0.152  1.00  0.00           S  
HETATM   17  O5  UNL     1       6.285  -1.092  -0.807  1.00  0.00           O  
HETATM   18  O6  UNL     1       7.941   0.710  -0.556  1.00  0.00           O  
HETATM   19  O7  UNL     1       7.420  -0.855   1.504  1.00  0.00           O  
HETATM   20  C12 UNL     1       3.782   1.212  -0.955  1.00  0.00           C  
HETATM   21  C13 UNL     1       2.471   0.917  -1.265  1.00  0.00           C  
HETATM   22  C14 UNL     1      -0.664   0.047   0.301  1.00  0.00           C  
HETATM   23  O8  UNL     1      -0.307   0.487   1.402  1.00  0.00           O  
HETATM   24  C15 UNL     1      -2.003  -0.253   0.086  1.00  0.00           C  
HETATM   25  C16 UNL     1      -2.978  -0.085   1.057  1.00  0.00           C  
HETATM   26  O9  UNL     1      -2.696   0.387   2.288  1.00  0.00           O  
HETATM   27  H1  UNL     1      -7.062   0.880   1.887  1.00  0.00           H  
HETATM   28  H2  UNL     1      -5.626   1.702   1.083  1.00  0.00           H  
HETATM   29  H3  UNL     1      -5.705   1.455   2.874  1.00  0.00           H  
HETATM   30  H4  UNL     1      -6.667  -1.105  -0.090  1.00  0.00           H  
HETATM   31  H5  UNL     1      -3.873  -1.430  -2.412  1.00  0.00           H  
HETATM   32  H6  UNL     1       0.606  -0.756  -2.660  1.00  0.00           H  
HETATM   33  H7  UNL     1       1.666  -0.757   1.489  1.00  0.00           H  
HETATM   34  H8  UNL     1       3.946  -0.267   2.071  1.00  0.00           H  
HETATM   35  H9  UNL     1       7.973  -1.627   1.260  1.00  0.00           H  
HETATM   36  H10 UNL     1       4.432   1.770  -1.616  1.00  0.00           H  
HETATM   37  H11 UNL     1       2.050   1.241  -2.190  1.00  0.00           H  
HETATM   38  H12 UNL     1      -1.934   0.692   2.800  1.00  0.00           H  
CONECT    1    2   27   28   29
CONECT    2    3
CONECT    3    4    4   25
CONECT    4    5    6
CONECT    5   30
CONECT    6    7    7   31
CONECT    7    8   24
CONECT    8    9
CONECT    9   10   10   32
CONECT   10   11   22
CONECT   11   12   12   21
CONECT   12   13   33
CONECT   13   14   14   34
CONECT   14   15   20
CONECT   15   16
CONECT   16   17   17   18   18
CONECT   16   19
CONECT   19   35
CONECT   20   21   21   36
CONECT   21   37
CONECT   22   23   23   24
CONECT   24   25   25
CONECT   25   26
CONECT   26   38
END