COMPND    HMDB0028904
HETATM    1  C1  UNL     1      -3.605  -1.490  -0.721  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.334  -0.736  -1.075  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.957   0.253  -0.024  1.00  0.00           C  
HETATM    4  C4  UNL     1      -3.063   1.279   0.186  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.734   1.076  -0.449  1.00  0.00           C  
HETATM    6  N1  UNL     1      -0.442   2.016   0.632  1.00  0.00           N  
HETATM    7  C6  UNL     1       0.440   0.189  -0.557  1.00  0.00           C  
HETATM    8  O1  UNL     1       0.498  -0.626  -1.503  1.00  0.00           O  
HETATM    9  N2  UNL     1       1.492   0.240   0.377  1.00  0.00           N  
HETATM   10  C7  UNL     1       2.619  -0.646   0.229  1.00  0.00           C  
HETATM   11  C8  UNL     1       3.921   0.158   0.123  1.00  0.00           C  
HETATM   12  S1  UNL     1       3.874   1.258  -1.302  1.00  0.00           S  
HETATM   13  C9  UNL     1       2.739  -1.454   1.460  1.00  0.00           C  
HETATM   14  O2  UNL     1       1.930  -1.294   2.397  1.00  0.00           O  
HETATM   15  O3  UNL     1       3.752  -2.384   1.558  1.00  0.00           O  
HETATM   16  H1  UNL     1      -4.516  -0.910  -0.912  1.00  0.00           H  
HETATM   17  H2  UNL     1      -3.637  -2.369  -1.419  1.00  0.00           H  
HETATM   18  H3  UNL     1      -3.534  -1.883   0.302  1.00  0.00           H  
HETATM   19  H4  UNL     1      -1.539  -1.537  -1.136  1.00  0.00           H  
HETATM   20  H5  UNL     1      -2.431  -0.289  -2.079  1.00  0.00           H  
HETATM   21  H6  UNL     1      -1.773  -0.287   0.923  1.00  0.00           H  
HETATM   22  H7  UNL     1      -3.963   0.750   0.551  1.00  0.00           H  
HETATM   23  H8  UNL     1      -3.216   1.855  -0.734  1.00  0.00           H  
HETATM   24  H9  UNL     1      -2.725   1.980   0.975  1.00  0.00           H  
HETATM   25  H10 UNL     1      -0.964   1.575  -1.397  1.00  0.00           H  
HETATM   26  H11 UNL     1      -0.968   2.883   0.463  1.00  0.00           H  
HETATM   27  H12 UNL     1      -0.774   1.575   1.513  1.00  0.00           H  
HETATM   28  H13 UNL     1       1.439   0.920   1.161  1.00  0.00           H  
HETATM   29  H14 UNL     1       2.490  -1.292  -0.665  1.00  0.00           H  
HETATM   30  H15 UNL     1       4.056   0.686   1.081  1.00  0.00           H  
HETATM   31  H16 UNL     1       4.744  -0.592  -0.010  1.00  0.00           H  
HETATM   32  H17 UNL     1       4.545   2.474  -1.009  1.00  0.00           H  
HETATM   33  H18 UNL     1       3.637  -3.377   1.592  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3   19   20
CONECT    3    4    5   21
CONECT    4   22   23   24
CONECT    5    6    7   25
CONECT    6   26   27
CONECT    7    8    8    9
CONECT    9   10   28
CONECT   10   11   13   29
CONECT   11   12   30   31
CONECT   12   32
CONECT   13   14   14   15
CONECT   15   33
END