COMPND    HMDB0240721
HETATM    1  C1  UNL     1      -4.631  -2.315   0.279  1.00  0.00           C  
HETATM    2  O1  UNL     1      -4.203  -1.040  -0.087  1.00  0.00           O  
HETATM    3  C2  UNL     1      -2.873  -0.692  -0.276  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.840  -1.591  -0.116  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.534  -1.200  -0.315  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.229   0.109  -0.681  1.00  0.00           C  
HETATM    7  C6  UNL     1       1.161   0.482  -0.899  1.00  0.00           C  
HETATM    8  O2  UNL     1       1.404   1.341  -1.789  1.00  0.00           O  
HETATM    9  C7  UNL     1       2.296  -0.055  -0.176  1.00  0.00           C  
HETATM   10  C8  UNL     1       2.102  -0.598   1.075  1.00  0.00           C  
HETATM   11  C9  UNL     1       3.205  -1.111   1.728  1.00  0.00           C  
HETATM   12  C10 UNL     1       4.470  -1.097   1.172  1.00  0.00           C  
HETATM   13  C11 UNL     1       4.683  -0.556  -0.082  1.00  0.00           C  
HETATM   14  C12 UNL     1       3.581  -0.045  -0.728  1.00  0.00           C  
HETATM   15  C13 UNL     1      -1.264   1.020  -0.844  1.00  0.00           C  
HETATM   16  O3  UNL     1      -0.974   2.311  -1.205  1.00  0.00           O  
HETATM   17  S1  UNL     1      -0.669   3.587  -0.167  1.00  0.00           S  
HETATM   18  O4  UNL     1      -1.748   4.634  -0.222  1.00  0.00           O  
HETATM   19  O5  UNL     1       0.602   4.280  -0.637  1.00  0.00           O  
HETATM   20  O6  UNL     1      -0.424   3.131   1.414  1.00  0.00           O  
HETATM   21  C14 UNL     1      -2.560   0.615  -0.643  1.00  0.00           C  
HETATM   22  H1  UNL     1      -5.635  -2.474  -0.214  1.00  0.00           H  
HETATM   23  H2  UNL     1      -4.844  -2.419   1.374  1.00  0.00           H  
HETATM   24  H3  UNL     1      -4.001  -3.142  -0.089  1.00  0.00           H  
HETATM   25  H4  UNL     1      -2.046  -2.630   0.172  1.00  0.00           H  
HETATM   26  H5  UNL     1       0.279  -1.932  -0.194  1.00  0.00           H  
HETATM   27  H6  UNL     1       1.113  -0.620   1.557  1.00  0.00           H  
HETATM   28  H7  UNL     1       3.031  -1.540   2.724  1.00  0.00           H  
HETATM   29  H8  UNL     1       5.328  -1.502   1.692  1.00  0.00           H  
HETATM   30  H9  UNL     1       5.644  -0.527  -0.544  1.00  0.00           H  
HETATM   31  H10 UNL     1       3.697   0.393  -1.722  1.00  0.00           H  
HETATM   32  H11 UNL     1      -0.787   3.829   2.014  1.00  0.00           H  
HETATM   33  H12 UNL     1      -3.334   1.353  -0.780  1.00  0.00           H  
CONECT    1    2   22   23   24
CONECT    2    3
CONECT    3    4    4   21
CONECT    4    5   25
CONECT    5    6    6   26
CONECT    6    7   15
CONECT    7    8    8    9
CONECT    9   10   10   14
CONECT   10   11   27
CONECT   11   12   12   28
CONECT   12   13   29
CONECT   13   14   14   30
CONECT   14   31
CONECT   15   16   21   21
CONECT   16   17
CONECT   17   18   18   19   19
CONECT   17   20
CONECT   20   32
CONECT   21   33
END