COMPND    HMDB0038472
HETATM    1  O1  UNL     1      -0.775  -3.366  -1.818  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.535  -2.315  -1.202  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.786  -1.891  -1.036  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.043  -0.733  -0.356  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.435  -0.305  -0.192  1.00  0.00           C  
HETATM    6  C5  UNL     1       3.505  -0.987  -0.673  1.00  0.00           C  
HETATM    7  C6  UNL     1       4.825  -0.579  -0.516  1.00  0.00           C  
HETATM    8  C7  UNL     1       5.041   0.595   0.175  1.00  0.00           C  
HETATM    9  O2  UNL     1       6.373   0.972   0.313  1.00  0.00           O  
HETATM   10  C8  UNL     1       3.987   1.311   0.676  1.00  0.00           C  
HETATM   11  O3  UNL     1       4.238   2.504   1.377  1.00  0.00           O  
HETATM   12  C9  UNL     1       2.686   0.872   0.499  1.00  0.00           C  
HETATM   13  O4  UNL     1       0.081   0.001   0.149  1.00  0.00           O  
HETATM   14  C10 UNL     1      -1.173  -0.373   0.008  1.00  0.00           C  
HETATM   15  C11 UNL     1      -2.180   0.422   0.554  1.00  0.00           C  
HETATM   16  C12 UNL     1      -3.510   0.103   0.450  1.00  0.00           C  
HETATM   17  O5  UNL     1      -4.522   0.886   0.989  1.00  0.00           O  
HETATM   18  S1  UNL     1      -5.271   2.140   0.117  1.00  0.00           S  
HETATM   19  O6  UNL     1      -5.967   1.653  -1.107  1.00  0.00           O  
HETATM   20  O7  UNL     1      -6.283   2.777   1.040  1.00  0.00           O  
HETATM   21  O8  UNL     1      -4.098   3.297  -0.274  1.00  0.00           O  
HETATM   22  C13 UNL     1      -3.857  -1.036  -0.211  1.00  0.00           C  
HETATM   23  C14 UNL     1      -2.874  -1.869  -0.778  1.00  0.00           C  
HETATM   24  O9  UNL     1      -3.268  -2.994  -1.428  1.00  0.00           O  
HETATM   25  C15 UNL     1      -1.537  -1.528  -0.662  1.00  0.00           C  
HETATM   26  H1  UNL     1       1.523  -2.548  -1.480  1.00  0.00           H  
HETATM   27  H2  UNL     1       3.362  -1.925  -1.228  1.00  0.00           H  
HETATM   28  H3  UNL     1       5.628  -1.182  -0.932  1.00  0.00           H  
HETATM   29  H4  UNL     1       6.681   1.789   0.784  1.00  0.00           H  
HETATM   30  H5  UNL     1       5.151   2.845   1.521  1.00  0.00           H  
HETATM   31  H6  UNL     1       1.871   1.459   0.907  1.00  0.00           H  
HETATM   32  H7  UNL     1      -1.882   1.327   1.078  1.00  0.00           H  
HETATM   33  H8  UNL     1      -3.803   3.706   0.584  1.00  0.00           H  
HETATM   34  H9  UNL     1      -4.895  -1.353  -0.333  1.00  0.00           H  
HETATM   35  H10 UNL     1      -2.785  -3.679  -1.872  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   25
CONECT    3    4    4   26
CONECT    4    5   13
CONECT    5    6    6   12
CONECT    6    7   27
CONECT    7    8    8   28
CONECT    8    9   10
CONECT    9   29
CONECT   10   11   12   12
CONECT   11   30
CONECT   12   31
CONECT   13   14
CONECT   14   15   15   25
CONECT   15   16   32
CONECT   16   17   22   22
CONECT   17   18
CONECT   18   19   19   20   20
CONECT   18   21
CONECT   21   33
CONECT   22   23   34
CONECT   23   24   25   25
CONECT   24   35
END