COMPND    HMDB0060606
HETATM    1  C1  UNL     1      -3.844   1.054   0.830  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.832   0.047   0.367  1.00  0.00           C  
HETATM    3  C3  UNL     1      -3.161  -0.752  -0.831  1.00  0.00           C  
HETATM    4  N1  UNL     1      -1.725  -0.133   0.962  1.00  0.00           N  
HETATM    5  N2  UNL     1      -0.809  -1.059   0.528  1.00  0.00           N  
HETATM    6  C4  UNL     1       0.229  -0.780  -0.407  1.00  0.00           C  
HETATM    7  N3  UNL     1       0.101  -1.035  -1.720  1.00  0.00           N  
HETATM    8  N4  UNL     1       1.071  -0.767  -2.579  1.00  0.00           N  
HETATM    9  C5  UNL     1       2.244  -0.225  -2.208  1.00  0.00           C  
HETATM   10  C6  UNL     1       2.461   0.069  -0.883  1.00  0.00           C  
HETATM   11  C7  UNL     1       3.640   0.627  -0.441  1.00  0.00           C  
HETATM   12  C8  UNL     1       3.808   0.905   0.895  1.00  0.00           C  
HETATM   13  C9  UNL     1       2.767   0.609   1.764  1.00  0.00           C  
HETATM   14  C10 UNL     1       1.578   0.051   1.351  1.00  0.00           C  
HETATM   15  C11 UNL     1       1.422  -0.223   0.006  1.00  0.00           C  
HETATM   16  H1  UNL     1      -4.684   0.501   1.259  1.00  0.00           H  
HETATM   17  H2  UNL     1      -4.179   1.583  -0.069  1.00  0.00           H  
HETATM   18  H3  UNL     1      -3.361   1.702   1.590  1.00  0.00           H  
HETATM   19  H4  UNL     1      -2.613  -0.410  -1.743  1.00  0.00           H  
HETATM   20  H5  UNL     1      -4.261  -0.710  -1.002  1.00  0.00           H  
HETATM   21  H6  UNL     1      -2.878  -1.814  -0.632  1.00  0.00           H  
HETATM   22  H7  UNL     1      -0.818  -2.066   0.875  1.00  0.00           H  
HETATM   23  H8  UNL     1       3.032  -0.006  -2.911  1.00  0.00           H  
HETATM   24  H9  UNL     1       4.443   0.849  -1.124  1.00  0.00           H  
HETATM   25  H10 UNL     1       4.734   1.349   1.276  1.00  0.00           H  
HETATM   26  H11 UNL     1       2.870   0.816   2.817  1.00  0.00           H  
HETATM   27  H12 UNL     1       0.764  -0.182   2.032  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3    4    4
CONECT    3   19   20   21
CONECT    4    5
CONECT    5    6   22
CONECT    6    7    7   15
CONECT    7    8
CONECT    8    9    9
CONECT    9   10   23
CONECT   10   11   11   15
CONECT   11   12   24
CONECT   12   13   13   25
CONECT   13   14   26
CONECT   14   15   15   27
END