COMPND    HMDB0030619
HETATM    1  C1  UNL     1      -3.482  -2.731  -0.787  1.00  0.00           C  
HETATM    2  O1  UNL     1      -3.442  -1.399  -1.195  1.00  0.00           O  
HETATM    3  C2  UNL     1      -3.401  -0.298  -0.378  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.183   0.203   0.014  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.928  -0.384  -0.400  1.00  0.00           C  
HETATM    6  O2  UNL     1      -0.929  -1.384  -1.142  1.00  0.00           O  
HETATM    7  C5  UNL     1       0.347   0.192   0.049  1.00  0.00           C  
HETATM    8  C6  UNL     1       1.507  -0.561  -0.490  1.00  0.00           C  
HETATM    9  O3  UNL     1       1.338  -1.567  -1.238  1.00  0.00           O  
HETATM   10  C7  UNL     1       2.876  -0.176  -0.181  1.00  0.00           C  
HETATM   11  C8  UNL     1       3.099   0.915   0.631  1.00  0.00           C  
HETATM   12  C9  UNL     1       4.390   1.318   0.951  1.00  0.00           C  
HETATM   13  C10 UNL     1       5.477   0.628   0.458  1.00  0.00           C  
HETATM   14  C11 UNL     1       5.268  -0.466  -0.356  1.00  0.00           C  
HETATM   15  C12 UNL     1       3.964  -0.864  -0.672  1.00  0.00           C  
HETATM   16  O4  UNL     1       6.503  -0.981  -0.716  1.00  0.00           O  
HETATM   17  C13 UNL     1       7.473   0.019  -0.470  1.00  0.00           C  
HETATM   18  O5  UNL     1       6.850   0.764   0.583  1.00  0.00           O  
HETATM   19  C14 UNL     1      -2.157   1.332   0.851  1.00  0.00           C  
HETATM   20  C15 UNL     1      -3.339   1.908   1.258  1.00  0.00           C  
HETATM   21  C16 UNL     1      -4.561   1.413   0.870  1.00  0.00           C  
HETATM   22  O6  UNL     1      -5.809   1.766   1.110  1.00  0.00           O  
HETATM   23  C17 UNL     1      -6.657   0.972   0.508  1.00  0.00           C  
HETATM   24  C18 UNL     1      -5.916   0.033  -0.175  1.00  0.00           C  
HETATM   25  C19 UNL     1      -4.567   0.287   0.035  1.00  0.00           C  
HETATM   26  H1  UNL     1      -3.295  -2.877   0.294  1.00  0.00           H  
HETATM   27  H2  UNL     1      -4.538  -3.091  -0.959  1.00  0.00           H  
HETATM   28  H3  UNL     1      -2.850  -3.331  -1.444  1.00  0.00           H  
HETATM   29  H4  UNL     1       0.434   1.277  -0.188  1.00  0.00           H  
HETATM   30  H5  UNL     1       0.359   0.110   1.174  1.00  0.00           H  
HETATM   31  H6  UNL     1       2.271   1.457   1.018  1.00  0.00           H  
HETATM   32  H7  UNL     1       4.561   2.173   1.588  1.00  0.00           H  
HETATM   33  H8  UNL     1       3.831  -1.725  -1.313  1.00  0.00           H  
HETATM   34  H9  UNL     1       8.403  -0.406  -0.037  1.00  0.00           H  
HETATM   35  H10 UNL     1       7.662   0.645  -1.352  1.00  0.00           H  
HETATM   36  H11 UNL     1      -1.206   1.748   1.176  1.00  0.00           H  
HETATM   37  H12 UNL     1      -3.279   2.777   1.903  1.00  0.00           H  
HETATM   38  H13 UNL     1      -7.749   1.055   0.551  1.00  0.00           H  
HETATM   39  H14 UNL     1      -6.324  -0.752  -0.764  1.00  0.00           H  
CONECT    1    2   26   27   28
CONECT    2    3
CONECT    3    4    4   25
CONECT    4    5   19
CONECT    5    6    6    7
CONECT    7    8   29   30
CONECT    8    9    9   10
CONECT   10   11   11   15
CONECT   11   12   31
CONECT   12   13   13   32
CONECT   13   14   18
CONECT   14   15   15   16
CONECT   15   33
CONECT   16   17
CONECT   17   18   34   35
CONECT   19   20   20   36
CONECT   20   21   37
CONECT   21   22   25   25
CONECT   22   23
CONECT   23   24   24   38
CONECT   24   25   39
END