COMPND    HMDB0041770
HETATM    1  O1  UNL     1       3.671  -1.925  -1.304  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.794  -1.174  -0.812  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.447  -1.371  -1.180  1.00  0.00           C  
HETATM    4  O2  UNL     1       1.169  -2.381  -2.063  1.00  0.00           O  
HETATM    5  C3  UNL     1       0.426  -0.610  -0.701  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.993  -0.726  -1.013  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.526  -1.646  -1.859  1.00  0.00           C  
HETATM    8  C6  UNL     1      -2.903  -1.677  -2.094  1.00  0.00           C  
HETATM    9  C7  UNL     1      -3.767  -0.797  -1.493  1.00  0.00           C  
HETATM   10  O3  UNL     1      -5.131  -0.841  -1.736  1.00  0.00           O  
HETATM   11  C8  UNL     1      -3.211   0.131  -0.636  1.00  0.00           C  
HETATM   12  O4  UNL     1      -4.052   1.041  -0.006  1.00  0.00           O  
HETATM   13  S1  UNL     1      -4.766   0.725   1.498  1.00  0.00           S  
HETATM   14  O5  UNL     1      -4.126  -0.544   2.040  1.00  0.00           O  
HETATM   15  O6  UNL     1      -6.241   0.571   1.333  1.00  0.00           O  
HETATM   16  O7  UNL     1      -4.464   1.998   2.583  1.00  0.00           O  
HETATM   17  C9  UNL     1      -1.872   0.187  -0.386  1.00  0.00           C  
HETATM   18  O8  UNL     1       0.794   0.340   0.145  1.00  0.00           O  
HETATM   19  C10 UNL     1       2.022   0.575   0.527  1.00  0.00           C  
HETATM   20  C11 UNL     1       2.278   1.598   1.417  1.00  0.00           C  
HETATM   21  C12 UNL     1       3.557   1.860   1.829  1.00  0.00           C  
HETATM   22  O9  UNL     1       3.792   2.908   2.737  1.00  0.00           O  
HETATM   23  C13 UNL     1       4.630   1.131   1.385  1.00  0.00           C  
HETATM   24  C14 UNL     1       4.379   0.082   0.474  1.00  0.00           C  
HETATM   25  O10 UNL     1       5.455  -0.628   0.046  1.00  0.00           O  
HETATM   26  C15 UNL     1       3.084  -0.169   0.069  1.00  0.00           C  
HETATM   27  H1  UNL     1       1.787  -3.016  -2.497  1.00  0.00           H  
HETATM   28  H2  UNL     1      -0.890  -2.360  -2.357  1.00  0.00           H  
HETATM   29  H3  UNL     1      -3.259  -2.433  -2.777  1.00  0.00           H  
HETATM   30  H4  UNL     1      -5.719  -0.167  -1.264  1.00  0.00           H  
HETATM   31  H5  UNL     1      -3.557   2.338   2.423  1.00  0.00           H  
HETATM   32  H6  UNL     1      -1.469   0.943   0.304  1.00  0.00           H  
HETATM   33  H7  UNL     1       1.462   2.220   1.811  1.00  0.00           H  
HETATM   34  H8  UNL     1       3.981   3.853   2.404  1.00  0.00           H  
HETATM   35  H9  UNL     1       5.636   1.332   1.704  1.00  0.00           H  
HETATM   36  H10 UNL     1       5.584  -1.370  -0.552  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   26
CONECT    3    4    5    5
CONECT    4   27
CONECT    5    6   18
CONECT    6    7    7   17
CONECT    7    8   28
CONECT    8    9    9   29
CONECT    9   10   11
CONECT   10   30
CONECT   11   12   17   17
CONECT   12   13
CONECT   13   14   14   15   15
CONECT   13   16
CONECT   16   31
CONECT   17   32
CONECT   18   19
CONECT   19   20   20   26
CONECT   20   21   33
CONECT   21   22   23   23
CONECT   22   34
CONECT   23   24   35
CONECT   24   25   26   26
CONECT   25   36
END