COMPND    HMDB0059996
HETATM    1  O1  UNL     1      -0.645   1.167   0.600  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.310   0.133   0.822  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.680  -1.079   1.336  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.751  -0.926   1.636  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.663  -0.548   0.572  1.00  0.00           C  
HETATM    6  C5  UNL     1       2.143  -1.432  -0.383  1.00  0.00           C  
HETATM    7  C6  UNL     1       3.037  -1.031  -1.345  1.00  0.00           C  
HETATM    8  C7  UNL     1       3.499   0.272  -1.406  1.00  0.00           C  
HETATM    9  O2  UNL     1       4.409   0.694  -2.381  1.00  0.00           O  
HETATM   10  S1  UNL     1       6.076   0.584  -2.053  1.00  0.00           S  
HETATM   11  O3  UNL     1       6.416   1.289  -0.769  1.00  0.00           O  
HETATM   12  O4  UNL     1       6.810   1.204  -3.198  1.00  0.00           O  
HETATM   13  O5  UNL     1       6.442  -1.035  -1.859  1.00  0.00           O  
HETATM   14  C8  UNL     1       3.045   1.162  -0.482  1.00  0.00           C  
HETATM   15  C9  UNL     1       2.141   0.737   0.484  1.00  0.00           C  
HETATM   16  C10 UNL     1      -2.747   0.230   0.530  1.00  0.00           C  
HETATM   17  C11 UNL     1      -3.306   1.408   0.032  1.00  0.00           C  
HETATM   18  O6  UNL     1      -2.479   2.490  -0.190  1.00  0.00           O  
HETATM   19  C12 UNL     1      -4.648   1.519  -0.240  1.00  0.00           C  
HETATM   20  C13 UNL     1      -5.454   0.434  -0.013  1.00  0.00           C  
HETATM   21  O7  UNL     1      -6.822   0.519  -0.282  1.00  0.00           O  
HETATM   22  C14 UNL     1      -4.896  -0.723   0.477  1.00  0.00           C  
HETATM   23  C15 UNL     1      -3.539  -0.847   0.757  1.00  0.00           C  
HETATM   24  O8  UNL     1      -3.127  -2.059   1.242  1.00  0.00           O  
HETATM   25  H1  UNL     1      -1.206  -1.305   2.316  1.00  0.00           H  
HETATM   26  H2  UNL     1      -0.911  -1.984   0.719  1.00  0.00           H  
HETATM   27  H3  UNL     1       0.890  -0.185   2.484  1.00  0.00           H  
HETATM   28  H4  UNL     1       1.159  -1.882   2.095  1.00  0.00           H  
HETATM   29  H5  UNL     1       1.789  -2.445  -0.340  1.00  0.00           H  
HETATM   30  H6  UNL     1       3.430  -1.717  -2.109  1.00  0.00           H  
HETATM   31  H7  UNL     1       7.183  -1.102  -1.211  1.00  0.00           H  
HETATM   32  H8  UNL     1       3.405   2.192  -0.525  1.00  0.00           H  
HETATM   33  H9  UNL     1       1.861   1.516   1.191  1.00  0.00           H  
HETATM   34  H10 UNL     1      -2.855   3.356  -0.550  1.00  0.00           H  
HETATM   35  H11 UNL     1      -5.041   2.441  -0.622  1.00  0.00           H  
HETATM   36  H12 UNL     1      -7.231   1.355  -0.638  1.00  0.00           H  
HETATM   37  H13 UNL     1      -5.562  -1.549   0.641  1.00  0.00           H  
HETATM   38  H14 UNL     1      -3.692  -2.854   1.412  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   16
CONECT    3    4   25   26
CONECT    4    5   27   28
CONECT    5    6    6   15
CONECT    6    7   29
CONECT    7    8    8   30
CONECT    8    9   14
CONECT    9   10
CONECT   10   11   11   12   12
CONECT   10   13
CONECT   13   31
CONECT   14   15   15   32
CONECT   15   33
CONECT   16   17   17   23
CONECT   17   18   19
CONECT   18   34
CONECT   19   20   20   35
CONECT   20   21   22
CONECT   21   36
CONECT   22   23   23   37
CONECT   23   24
CONECT   24   38
END