COMPND    HMDB0240547
HETATM    1  O1  UNL     1      -0.365  -0.916   3.048  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.174  -1.167   1.837  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.967  -2.204   1.138  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.291  -1.770  -0.282  1.00  0.00           C  
HETATM    5  C4  UNL     1      -2.330  -0.709  -0.320  1.00  0.00           C  
HETATM    6  C5  UNL     1      -2.570  -0.007  -1.504  1.00  0.00           C  
HETATM    7  C6  UNL     1      -3.518   0.985  -1.590  1.00  0.00           C  
HETATM    8  C7  UNL     1      -4.285   1.337  -0.501  1.00  0.00           C  
HETATM    9  O2  UNL     1      -5.253   2.346  -0.579  1.00  0.00           O  
HETATM   10  C8  UNL     1      -4.065   0.658   0.676  1.00  0.00           C  
HETATM   11  C9  UNL     1      -3.099  -0.352   0.763  1.00  0.00           C  
HETATM   12  O3  UNL     1      -0.092  -1.310  -0.921  1.00  0.00           O  
HETATM   13  C10 UNL     1       0.840  -0.538  -0.282  1.00  0.00           C  
HETATM   14  C11 UNL     1       1.816   0.168  -0.969  1.00  0.00           C  
HETATM   15  C12 UNL     1       2.761   0.948  -0.356  1.00  0.00           C  
HETATM   16  O4  UNL     1       3.686   1.610  -1.111  1.00  0.00           O  
HETATM   17  S1  UNL     1       5.193   0.968  -1.556  1.00  0.00           S  
HETATM   18  O5  UNL     1       5.222   0.557  -3.000  1.00  0.00           O  
HETATM   19  O6  UNL     1       6.305   1.988  -1.367  1.00  0.00           O  
HETATM   20  O7  UNL     1       5.597  -0.369  -0.631  1.00  0.00           O  
HETATM   21  C13 UNL     1       2.729   1.027   1.018  1.00  0.00           C  
HETATM   22  C14 UNL     1       1.784   0.348   1.751  1.00  0.00           C  
HETATM   23  O8  UNL     1       1.715   0.398   3.129  1.00  0.00           O  
HETATM   24  C15 UNL     1       0.839  -0.436   1.086  1.00  0.00           C  
HETATM   25  H1  UNL     1      -1.845  -2.552   1.703  1.00  0.00           H  
HETATM   26  H2  UNL     1      -0.289  -3.109   1.101  1.00  0.00           H  
HETATM   27  H3  UNL     1      -1.594  -2.681  -0.836  1.00  0.00           H  
HETATM   28  H4  UNL     1      -1.966  -0.286  -2.358  1.00  0.00           H  
HETATM   29  H5  UNL     1      -3.695   1.522  -2.513  1.00  0.00           H  
HETATM   30  H6  UNL     1      -6.210   2.071  -0.846  1.00  0.00           H  
HETATM   31  H7  UNL     1      -4.652   0.907   1.561  1.00  0.00           H  
HETATM   32  H8  UNL     1      -2.941  -0.875   1.706  1.00  0.00           H  
HETATM   33  H9  UNL     1       1.801   0.074  -2.062  1.00  0.00           H  
HETATM   34  H10 UNL     1       5.124  -1.185  -0.889  1.00  0.00           H  
HETATM   35  H11 UNL     1       3.444   1.624   1.575  1.00  0.00           H  
HETATM   36  H12 UNL     1       2.346   0.931   3.698  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   24
CONECT    3    4   25   26
CONECT    4    5   12   27
CONECT    5    6    6   11
CONECT    6    7   28
CONECT    7    8    8   29
CONECT    8    9   10
CONECT    9   30
CONECT   10   11   11   31
CONECT   11   32
CONECT   12   13
CONECT   13   14   14   24
CONECT   14   15   33
CONECT   15   16   21   21
CONECT   16   17
CONECT   17   18   18   19   19
CONECT   17   20
CONECT   20   34
CONECT   21   22   35
CONECT   22   23   24   24
CONECT   23   36
END