COMPND    HMDB0249690
HETATM    1  C1  UNL     1       0.695  -1.199   1.687  1.00  0.00           C  
HETATM    2  N1  UNL     1      -0.352  -1.375   0.751  1.00  0.00           N  
HETATM    3  C2  UNL     1      -0.730  -2.735   0.503  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.443  -0.501  -0.339  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.673  -0.475  -1.322  1.00  0.00           C  
HETATM    6  S1  UNL     1       2.257  -0.014  -0.553  1.00  0.00           S  
HETATM    7  C5  UNL     1       3.530   0.011  -1.813  1.00  0.00           C  
HETATM    8  N2  UNL     1       3.253  -0.251  -3.038  1.00  0.00           N  
HETATM    9  O1  UNL     1       4.826   0.322  -1.438  1.00  0.00           O  
HETATM   10  C6  UNL     1      -0.872   0.927   0.028  1.00  0.00           C  
HETATM   11  S2  UNL     1      -2.511   0.913   0.800  1.00  0.00           S  
HETATM   12  C7  UNL     1      -2.981   2.578   1.209  1.00  0.00           C  
HETATM   13  N3  UNL     1      -2.178   3.551   0.981  1.00  0.00           N  
HETATM   14  O2  UNL     1      -4.225   2.799   1.774  1.00  0.00           O  
HETATM   15  H1  UNL     1       1.693  -1.556   1.390  1.00  0.00           H  
HETATM   16  H2  UNL     1       0.422  -1.825   2.590  1.00  0.00           H  
HETATM   17  H3  UNL     1       0.719  -0.150   2.095  1.00  0.00           H  
HETATM   18  H4  UNL     1      -0.042  -3.431   1.038  1.00  0.00           H  
HETATM   19  H5  UNL     1      -0.684  -3.004  -0.578  1.00  0.00           H  
HETATM   20  H6  UNL     1      -1.753  -2.897   0.904  1.00  0.00           H  
HETATM   21  H7  UNL     1      -1.342  -0.865  -0.943  1.00  0.00           H  
HETATM   22  H8  UNL     1       0.804  -1.486  -1.766  1.00  0.00           H  
HETATM   23  H9  UNL     1       0.517   0.253  -2.148  1.00  0.00           H  
HETATM   24  H10 UNL     1       2.285  -0.487  -3.342  1.00  0.00           H  
HETATM   25  H11 UNL     1       4.975   1.200  -0.956  1.00  0.00           H  
HETATM   26  H12 UNL     1      -0.182   1.391   0.734  1.00  0.00           H  
HETATM   27  H13 UNL     1      -0.927   1.540  -0.892  1.00  0.00           H  
HETATM   28  H14 UNL     1      -2.438   4.554   1.216  1.00  0.00           H  
HETATM   29  H15 UNL     1      -4.989   2.213   1.429  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3    4
CONECT    3   18   19   20
CONECT    4    5   10   21
CONECT    5    6   22   23
CONECT    6    7
CONECT    7    8    8    9
CONECT    8   24
CONECT    9   25
CONECT   10   11   26   27
CONECT   11   12
CONECT   12   13   13   14
CONECT   13   28
CONECT   14   29
END