COMPND    HMDB0033861
HETATM    1  C1  UNL     1      -5.832  -0.046   2.880  1.00  0.00           C  
HETATM    2  O1  UNL     1      -4.443   0.107   2.897  1.00  0.00           O  
HETATM    3  C2  UNL     1      -3.621  -0.102   1.810  1.00  0.00           C  
HETATM    4  C3  UNL     1      -4.088  -0.493   0.563  1.00  0.00           C  
HETATM    5  C4  UNL     1      -3.259  -0.697  -0.506  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.904  -0.509  -0.347  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.376  -0.121   0.863  1.00  0.00           C  
HETATM    8  C7  UNL     1      -2.259   0.072   1.916  1.00  0.00           C  
HETATM    9  O2  UNL     1       0.021   0.005   0.780  1.00  0.00           O  
HETATM   10  C8  UNL     1       0.446  -0.704  -0.361  1.00  0.00           C  
HETATM   11  C9  UNL     1       1.679  -0.149  -0.951  1.00  0.00           C  
HETATM   12  C10 UNL     1       2.825  -0.184  -0.227  1.00  0.00           C  
HETATM   13  C11 UNL     1       3.996   0.327  -0.748  1.00  0.00           C  
HETATM   14  O3  UNL     1       5.139   0.271   0.020  1.00  0.00           O  
HETATM   15  C12 UNL     1       5.138  -0.291   1.316  1.00  0.00           C  
HETATM   16  C13 UNL     1       4.050   0.889  -2.013  1.00  0.00           C  
HETATM   17  O4  UNL     1       5.249   1.392  -2.502  1.00  0.00           O  
HETATM   18  C14 UNL     1       2.872   0.913  -2.729  1.00  0.00           C  
HETATM   19  C15 UNL     1       1.679   0.402  -2.222  1.00  0.00           C  
HETATM   20  O5  UNL     1       0.501   0.431  -2.948  1.00  0.00           O  
HETATM   21  C16 UNL     1      -0.708   0.539  -2.183  1.00  0.00           C  
HETATM   22  C17 UNL     1      -0.746  -0.637  -1.265  1.00  0.00           C  
HETATM   23  H1  UNL     1      -6.339   0.745   2.256  1.00  0.00           H  
HETATM   24  H2  UNL     1      -6.209   0.150   3.922  1.00  0.00           H  
HETATM   25  H3  UNL     1      -6.074  -1.063   2.534  1.00  0.00           H  
HETATM   26  H4  UNL     1      -5.154  -0.633   0.471  1.00  0.00           H  
HETATM   27  H5  UNL     1      -3.682  -1.007  -1.471  1.00  0.00           H  
HETATM   28  H6  UNL     1      -1.873   0.375   2.872  1.00  0.00           H  
HETATM   29  H7  UNL     1       0.650  -1.748  -0.039  1.00  0.00           H  
HETATM   30  H8  UNL     1       2.831  -0.613   0.764  1.00  0.00           H  
HETATM   31  H9  UNL     1       6.141  -0.268   1.758  1.00  0.00           H  
HETATM   32  H10 UNL     1       4.470   0.365   1.938  1.00  0.00           H  
HETATM   33  H11 UNL     1       4.721  -1.339   1.291  1.00  0.00           H  
HETATM   34  H12 UNL     1       5.332   1.810  -3.419  1.00  0.00           H  
HETATM   35  H13 UNL     1       2.870   1.336  -3.707  1.00  0.00           H  
HETATM   36  H14 UNL     1      -0.687   1.459  -1.541  1.00  0.00           H  
HETATM   37  H15 UNL     1      -1.587   0.576  -2.824  1.00  0.00           H  
HETATM   38  H16 UNL     1      -0.768  -1.560  -1.866  1.00  0.00           H  
CONECT    1    2   23   24   25
CONECT    2    3
CONECT    3    4    4    8
CONECT    4    5   26
CONECT    5    6    6   27
CONECT    6    7   22
CONECT    7    8    8    9
CONECT    8   28
CONECT    9   10
CONECT   10   11   22   29
CONECT   11   12   12   19
CONECT   12   13   30
CONECT   13   14   16   16
CONECT   14   15
CONECT   15   31   32   33
CONECT   16   17   18
CONECT   17   34
CONECT   18   19   19   35
CONECT   19   20
CONECT   20   21
CONECT   21   22   36   37
CONECT   22   38
END