COMPND    HMDB0240438
HETATM    1  O1  UNL     1      -3.291  -2.277  -2.370  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.800  -1.249  -1.872  1.00  0.00           C  
HETATM    3  O2  UNL     1      -5.099  -0.921  -2.202  1.00  0.00           O  
HETATM    4  C2  UNL     1      -3.032  -0.415  -0.961  1.00  0.00           C  
HETATM    5  O3  UNL     1      -1.743  -0.876  -0.728  1.00  0.00           O  
HETATM    6  C3  UNL     1      -0.962   0.146  -0.210  1.00  0.00           C  
HETATM    7  O4  UNL     1       0.308  -0.353   0.071  1.00  0.00           O  
HETATM    8  C4  UNL     1       1.287   0.244  -0.725  1.00  0.00           C  
HETATM    9  O5  UNL     1       2.167   0.891   0.150  1.00  0.00           O  
HETATM   10  C5  UNL     1       3.497   0.644   0.338  1.00  0.00           C  
HETATM   11  C6  UNL     1       4.237   1.387   1.258  1.00  0.00           C  
HETATM   12  C7  UNL     1       5.576   1.106   1.417  1.00  0.00           C  
HETATM   13  C8  UNL     1       6.167   0.097   0.670  1.00  0.00           C  
HETATM   14  C9  UNL     1       5.411  -0.622  -0.232  1.00  0.00           C  
HETATM   15  C10 UNL     1       4.080  -0.358  -0.406  1.00  0.00           C  
HETATM   16  N1  UNL     1       3.251  -1.054  -1.309  1.00  0.00           N  
HETATM   17  C11 UNL     1       2.004  -0.810  -1.474  1.00  0.00           C  
HETATM   18  O6  UNL     1       1.274  -1.586  -2.421  1.00  0.00           O  
HETATM   19  C12 UNL     1      -1.505   0.749   1.040  1.00  0.00           C  
HETATM   20  O7  UNL     1      -1.027   0.086   2.187  1.00  0.00           O  
HETATM   21  C13 UNL     1      -2.984   0.887   1.083  1.00  0.00           C  
HETATM   22  O8  UNL     1      -3.404   1.031   2.406  1.00  0.00           O  
HETATM   23  C14 UNL     1      -3.683  -0.288   0.420  1.00  0.00           C  
HETATM   24  O9  UNL     1      -5.041  -0.068   0.324  1.00  0.00           O  
HETATM   25  H1  UNL     1      -5.342  -0.324  -2.996  1.00  0.00           H  
HETATM   26  H2  UNL     1      -2.918   0.645  -1.327  1.00  0.00           H  
HETATM   27  H3  UNL     1      -0.841   0.904  -1.015  1.00  0.00           H  
HETATM   28  H4  UNL     1       0.835   0.994  -1.416  1.00  0.00           H  
HETATM   29  H5  UNL     1       3.756   2.170   1.831  1.00  0.00           H  
HETATM   30  H6  UNL     1       6.205   1.644   2.112  1.00  0.00           H  
HETATM   31  H7  UNL     1       7.203  -0.146   0.770  1.00  0.00           H  
HETATM   32  H8  UNL     1       5.864  -1.407  -0.816  1.00  0.00           H  
HETATM   33  H9  UNL     1       0.668  -2.279  -2.001  1.00  0.00           H  
HETATM   34  H10 UNL     1      -1.071   1.789   1.117  1.00  0.00           H  
HETATM   35  H11 UNL     1      -1.529  -0.761   2.351  1.00  0.00           H  
HETATM   36  H12 UNL     1      -3.271   1.814   0.524  1.00  0.00           H  
HETATM   37  H13 UNL     1      -4.348   0.692   2.502  1.00  0.00           H  
HETATM   38  H14 UNL     1      -3.417  -1.196   0.986  1.00  0.00           H  
HETATM   39  H15 UNL     1      -5.480  -0.930   0.105  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   25
CONECT    4    5   23   26
CONECT    5    6
CONECT    6    7   19   27
CONECT    7    8
CONECT    8    9   17   28
CONECT    9   10
CONECT   10   11   11   15
CONECT   11   12   29
CONECT   12   13   13   30
CONECT   13   14   31
CONECT   14   15   15   32
CONECT   15   16
CONECT   16   17   17
CONECT   17   18
CONECT   18   33
CONECT   19   20   21   34
CONECT   20   35
CONECT   21   22   23   36
CONECT   22   37
CONECT   23   24   38
CONECT   24   39
END