COMPND    HMDB0037000
HETATM    1  C1  UNL     1       3.742   0.714   0.626  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.801   0.610  -0.844  1.00  0.00           C  
HETATM    3  C3  UNL     1       5.024   1.216  -1.523  1.00  0.00           C  
HETATM    4  C4  UNL     1       2.928   0.062  -1.638  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.679  -0.592  -1.364  1.00  0.00           C  
HETATM    6  O1  UNL     1       1.034  -1.029  -2.383  1.00  0.00           O  
HETATM    7  C6  UNL     1       1.161  -0.758  -0.009  1.00  0.00           C  
HETATM    8  C7  UNL     1      -0.237  -1.330   0.076  1.00  0.00           C  
HETATM    9  C8  UNL     1      -0.507  -1.423   1.590  1.00  0.00           C  
HETATM   10  C9  UNL     1      -1.298  -0.470  -0.573  1.00  0.00           C  
HETATM   11  C10 UNL     1      -1.387   0.859   0.026  1.00  0.00           C  
HETATM   12  C11 UNL     1      -2.524   1.339   0.459  1.00  0.00           C  
HETATM   13  C12 UNL     1      -3.778   0.592   0.379  1.00  0.00           C  
HETATM   14  C13 UNL     1      -5.059   1.177   0.885  1.00  0.00           C  
HETATM   15  C14 UNL     1      -3.763  -0.610  -0.149  1.00  0.00           C  
HETATM   16  C15 UNL     1      -2.551  -1.251  -0.666  1.00  0.00           C  
HETATM   17  H1  UNL     1       3.071   1.532   0.959  1.00  0.00           H  
HETATM   18  H2  UNL     1       3.579  -0.261   1.063  1.00  0.00           H  
HETATM   19  H3  UNL     1       4.764   1.052   1.006  1.00  0.00           H  
HETATM   20  H4  UNL     1       5.527   0.364  -2.011  1.00  0.00           H  
HETATM   21  H5  UNL     1       4.648   1.981  -2.232  1.00  0.00           H  
HETATM   22  H6  UNL     1       5.621   1.736  -0.767  1.00  0.00           H  
HETATM   23  H7  UNL     1       3.217   0.119  -2.725  1.00  0.00           H  
HETATM   24  H8  UNL     1       1.273   0.115   0.642  1.00  0.00           H  
HETATM   25  H9  UNL     1       1.799  -1.579   0.452  1.00  0.00           H  
HETATM   26  H10 UNL     1      -0.224  -2.350  -0.307  1.00  0.00           H  
HETATM   27  H11 UNL     1      -0.739  -0.408   1.926  1.00  0.00           H  
HETATM   28  H12 UNL     1       0.426  -1.836   2.028  1.00  0.00           H  
HETATM   29  H13 UNL     1      -1.298  -2.170   1.793  1.00  0.00           H  
HETATM   30  H14 UNL     1      -0.949  -0.283  -1.637  1.00  0.00           H  
HETATM   31  H15 UNL     1      -0.505   1.466   0.119  1.00  0.00           H  
HETATM   32  H16 UNL     1      -2.614   2.338   0.914  1.00  0.00           H  
HETATM   33  H17 UNL     1      -5.439   1.931   0.168  1.00  0.00           H  
HETATM   34  H18 UNL     1      -4.808   1.759   1.814  1.00  0.00           H  
HETATM   35  H19 UNL     1      -5.777   0.382   1.081  1.00  0.00           H  
HETATM   36  H20 UNL     1      -4.693  -1.190  -0.220  1.00  0.00           H  
HETATM   37  H21 UNL     1      -2.699  -1.569  -1.749  1.00  0.00           H  
HETATM   38  H22 UNL     1      -2.446  -2.233  -0.100  1.00  0.00           H  
CONECT    1    2   17   18   19
CONECT    2    3    4    4
CONECT    3   20   21   22
CONECT    4    5   23
CONECT    5    6    6    7
CONECT    7    8   24   25
CONECT    8    9   10   26
CONECT    9   27   28   29
CONECT   10   11   16   30
CONECT   11   12   12   31
CONECT   12   13   32
CONECT   13   14   15   15
CONECT   14   33   34   35
CONECT   15   16   36
CONECT   16   37   38
END