COMPND    HMDB0242171
HETATM    1  O1  UNL     1       0.493   1.017   0.107  1.00  0.00           O  
HETATM    2  C1  UNL     1       0.325  -0.191   0.127  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.161  -1.021  -1.035  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.296  -0.536  -1.854  1.00  0.00           C  
HETATM    5  C4  UNL     1      -2.397  -1.354  -2.169  1.00  0.00           C  
HETATM    6  C5  UNL     1      -3.448  -0.877  -2.961  1.00  0.00           C  
HETATM    7  C6  UNL     1      -3.402   0.422  -3.451  1.00  0.00           C  
HETATM    8  O2  UNL     1      -4.402   0.927  -4.225  1.00  0.00           O  
HETATM    9  C7  UNL     1      -2.323   1.246  -3.164  1.00  0.00           C  
HETATM   10  C8  UNL     1      -1.274   0.767  -2.374  1.00  0.00           C  
HETATM   11  C9  UNL     1      -0.006  -2.311  -0.668  1.00  0.00           C  
HETATM   12  O3  UNL     1      -0.797  -2.627   0.508  1.00  0.00           O  
HETATM   13  C10 UNL     1      -0.168  -2.061   1.637  1.00  0.00           C  
HETATM   14  C11 UNL     1       0.073  -2.897   2.725  1.00  0.00           C  
HETATM   15  C12 UNL     1       1.324  -2.798   3.328  1.00  0.00           C  
HETATM   16  O4  UNL     1       1.677  -3.602   4.368  1.00  0.00           O  
HETATM   17  C13 UNL     1       2.322  -2.015   2.745  1.00  0.00           C  
HETATM   18  C14 UNL     1       1.983  -1.221   1.649  1.00  0.00           C  
HETATM   19  C15 UNL     1       0.657  -0.976   1.346  1.00  0.00           C  
HETATM   20  O5  UNL     1       2.910  -1.079   0.633  1.00  0.00           O  
HETATM   21  S1  UNL     1       2.746  -2.056  -0.714  1.00  0.00           S  
HETATM   22  O6  UNL     1       2.679  -1.196  -1.879  1.00  0.00           O  
HETATM   23  O7  UNL     1       3.792  -3.059  -0.627  1.00  0.00           O  
HETATM   24  O8  UNL     1       1.305  -2.874  -0.594  1.00  0.00           O  
HETATM   25  H1  UNL     1      -2.461  -2.376  -1.802  1.00  0.00           H  
HETATM   26  H2  UNL     1      -4.285  -1.532  -3.182  1.00  0.00           H  
HETATM   27  H3  UNL     1      -5.080   0.243  -4.348  1.00  0.00           H  
HETATM   28  H4  UNL     1      -2.291   2.259  -3.556  1.00  0.00           H  
HETATM   29  H5  UNL     1      -0.434   1.432  -2.178  1.00  0.00           H  
HETATM   30  H6  UNL     1      -0.608  -3.705   2.965  1.00  0.00           H  
HETATM   31  H7  UNL     1       0.890  -4.068   4.700  1.00  0.00           H  
HETATM   32  H8  UNL     1       3.358  -2.147   3.045  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   19
CONECT    3    4   11   11
CONECT    4    5    5   10
CONECT    5    6   25
CONECT    6    7    7   26
CONECT    7    8    9
CONECT    8   27
CONECT    9   10   10   28
CONECT   10   29
CONECT   11   12   24
CONECT   12   13
CONECT   13   14   14   19
CONECT   14   15   30
CONECT   15   16   17   17
CONECT   16   31
CONECT   17   18   32
CONECT   18   19   19   20
CONECT   20   21
CONECT   21   22   22   23   23
CONECT   21   24
END