COMPND    HMDB0034939
HETATM    1  C1  UNL     1       3.809  -0.561  -0.516  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.557   0.451   0.562  1.00  0.00           C  
HETATM    3  C3  UNL     1       4.664   0.772   1.474  1.00  0.00           C  
HETATM    4  C4  UNL     1       2.353   0.996   0.629  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.252   0.660  -0.298  1.00  0.00           C  
HETATM    6  C6  UNL     1       0.052   0.093   0.463  1.00  0.00           C  
HETATM    7  C7  UNL     1      -1.002  -0.214  -0.558  1.00  0.00           C  
HETATM    8  C8  UNL     1      -0.502  -1.211  -1.549  1.00  0.00           C  
HETATM    9  C9  UNL     1      -1.534   1.002  -1.266  1.00  0.00           C  
HETATM   10  C10 UNL     1      -2.676   0.364  -2.067  1.00  0.00           C  
HETATM   11  C11 UNL     1      -3.394  -0.311  -0.891  1.00  0.00           C  
HETATM   12  C12 UNL     1      -3.160   0.485   0.312  1.00  0.00           C  
HETATM   13  C13 UNL     1      -2.316   1.677  -0.171  1.00  0.00           C  
HETATM   14  C14 UNL     1      -2.301  -0.679   0.099  1.00  0.00           C  
HETATM   15  C15 UNL     1      -2.352  -1.932   0.866  1.00  0.00           C  
HETATM   16  H1  UNL     1       4.824  -0.977  -0.463  1.00  0.00           H  
HETATM   17  H2  UNL     1       3.593  -0.175  -1.516  1.00  0.00           H  
HETATM   18  H3  UNL     1       3.114  -1.417  -0.289  1.00  0.00           H  
HETATM   19  H4  UNL     1       4.311   1.438   2.291  1.00  0.00           H  
HETATM   20  H5  UNL     1       5.085  -0.180   1.848  1.00  0.00           H  
HETATM   21  H6  UNL     1       5.465   1.260   0.872  1.00  0.00           H  
HETATM   22  H7  UNL     1       2.165   1.727   1.405  1.00  0.00           H  
HETATM   23  H8  UNL     1       1.608  -0.062  -1.060  1.00  0.00           H  
HETATM   24  H9  UNL     1       0.934   1.563  -0.856  1.00  0.00           H  
HETATM   25  H10 UNL     1      -0.259   0.805   1.226  1.00  0.00           H  
HETATM   26  H11 UNL     1       0.324  -0.846   0.962  1.00  0.00           H  
HETATM   27  H12 UNL     1       0.370  -1.760  -1.160  1.00  0.00           H  
HETATM   28  H13 UNL     1      -0.180  -0.690  -2.493  1.00  0.00           H  
HETATM   29  H14 UNL     1      -1.263  -1.951  -1.859  1.00  0.00           H  
HETATM   30  H15 UNL     1      -0.859   1.588  -1.825  1.00  0.00           H  
HETATM   31  H16 UNL     1      -3.335   1.114  -2.509  1.00  0.00           H  
HETATM   32  H17 UNL     1      -2.294  -0.391  -2.765  1.00  0.00           H  
HETATM   33  H18 UNL     1      -4.226  -0.970  -1.071  1.00  0.00           H  
HETATM   34  H19 UNL     1      -3.851   0.621   1.133  1.00  0.00           H  
HETATM   35  H20 UNL     1      -3.004   2.405  -0.659  1.00  0.00           H  
HETATM   36  H21 UNL     1      -1.711   2.105   0.625  1.00  0.00           H  
HETATM   37  H22 UNL     1      -2.965  -1.773   1.789  1.00  0.00           H  
HETATM   38  H23 UNL     1      -2.939  -2.689   0.273  1.00  0.00           H  
HETATM   39  H24 UNL     1      -1.356  -2.338   1.078  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3    4    4
CONECT    3   19   20   21
CONECT    4    5   22
CONECT    5    6   23   24
CONECT    6    7   25   26
CONECT    7    8    9   14
CONECT    8   27   28   29
CONECT    9   10   13   30
CONECT   10   11   31   32
CONECT   11   12   14   33
CONECT   12   13   14   34
CONECT   13   35   36
CONECT   14   15
CONECT   15   37   38   39
END