COMPND    HMDB0247202
HETATM    1  O1  UNL     1      -2.852   0.930   1.983  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.635   0.885   0.980  1.00  0.00           C  
HETATM    3  O2  UNL     1      -4.754   1.641   1.054  1.00  0.00           O  
HETATM    4  C2  UNL     1      -3.293   0.049  -0.145  1.00  0.00           C  
HETATM    5  C3  UNL     1      -2.155  -0.767  -0.062  1.00  0.00           C  
HETATM    6  C4  UNL     1      -1.796  -1.619  -1.052  1.00  0.00           C  
HETATM    7  S1  UNL     1      -0.316  -2.619  -0.884  1.00  0.00           S  
HETATM    8  S2  UNL     1       0.621  -2.167   0.960  1.00  0.00           S  
HETATM    9  C5  UNL     1       1.779  -0.819   0.699  1.00  0.00           C  
HETATM   10  C6  UNL     1       1.380   0.482   0.863  1.00  0.00           C  
HETATM   11  C7  UNL     1       2.295   1.468   0.646  1.00  0.00           C  
HETATM   12  C8  UNL     1       3.629   1.238   0.262  1.00  0.00           C  
HETATM   13  N1  UNL     1       4.472   2.348   0.071  1.00  0.00           N1+
HETATM   14  O3  UNL     1       4.190   3.358   0.809  1.00  0.00           O  
HETATM   15  O4  UNL     1       5.521   2.515  -0.749  1.00  0.00           O1-
HETATM   16  C9  UNL     1       3.992  -0.071   0.109  1.00  0.00           C  
HETATM   17  C10 UNL     1       5.346  -0.451  -0.240  1.00  0.00           C  
HETATM   18  O5  UNL     1       6.306   0.304  -0.410  1.00  0.00           O  
HETATM   19  O6  UNL     1       5.651  -1.820  -0.416  1.00  0.00           O  
HETATM   20  C11 UNL     1       3.058  -1.110   0.329  1.00  0.00           C  
HETATM   21  C12 UNL     1      -2.574  -1.694  -2.187  1.00  0.00           C  
HETATM   22  C13 UNL     1      -3.684  -0.899  -2.272  1.00  0.00           C  
HETATM   23  C14 UNL     1      -4.077  -0.004  -1.257  1.00  0.00           C  
HETATM   24  N2  UNL     1      -5.243   0.732  -1.532  1.00  0.00           N1+
HETATM   25  O7  UNL     1      -5.391   1.897  -1.203  1.00  0.00           O  
HETATM   26  O8  UNL     1      -6.290   0.161  -2.271  1.00  0.00           O1-
HETATM   27  H1  UNL     1      -5.621   1.381   1.484  1.00  0.00           H  
HETATM   28  H2  UNL     1      -1.572  -0.682   0.845  1.00  0.00           H  
HETATM   29  H3  UNL     1       0.351   0.703   1.162  1.00  0.00           H  
HETATM   30  H4  UNL     1       2.007   2.516   0.768  1.00  0.00           H  
HETATM   31  H5  UNL     1       5.823  -2.412   0.364  1.00  0.00           H  
HETATM   32  H6  UNL     1       3.391  -2.142   0.194  1.00  0.00           H  
HETATM   33  H7  UNL     1      -2.277  -2.374  -2.959  1.00  0.00           H  
HETATM   34  H8  UNL     1      -4.281  -0.960  -3.149  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   27
CONECT    4    5    5   23
CONECT    5    6   28
CONECT    6    7   21   21
CONECT    7    8
CONECT    8    9
CONECT    9   10   10   20
CONECT   10   11   29
CONECT   11   12   12   30
CONECT   12   13   16
CONECT   13   14   14   15
CONECT   16   17   20   20
CONECT   17   18   18   19
CONECT   19   31
CONECT   20   32
CONECT   21   22   33
CONECT   22   23   23   34
CONECT   23   24
CONECT   24   25   25   26
END