COMPND    HMDB0245554
HETATM    1  C1  UNL     1      -3.960   0.878  -0.697  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.573   0.936  -0.095  1.00  0.00           C  
HETATM    3  O1  UNL     1      -1.600   0.854  -1.049  1.00  0.00           O  
HETATM    4  C3  UNL     1      -0.808  -0.231  -0.824  1.00  0.00           C  
HETATM    5  N1  UNL     1       0.490   0.215  -0.348  1.00  0.00           N  
HETATM    6  C4  UNL     1       0.718   1.356   0.324  1.00  0.00           C  
HETATM    7  N2  UNL     1       2.037   1.383   0.571  1.00  0.00           N  
HETATM    8  C5  UNL     1       2.641   0.310   0.083  1.00  0.00           C  
HETATM    9  C6  UNL     1       3.951  -0.093   0.090  1.00  0.00           C  
HETATM   10  N3  UNL     1       4.918   0.727   0.714  1.00  0.00           N  
HETATM   11  N4  UNL     1       4.249  -1.257  -0.502  1.00  0.00           N  
HETATM   12  C7  UNL     1       3.283  -2.000  -1.084  1.00  0.00           C  
HETATM   13  N5  UNL     1       1.996  -1.601  -1.090  1.00  0.00           N  
HETATM   14  C8  UNL     1       1.648  -0.449  -0.513  1.00  0.00           C  
HETATM   15  C9  UNL     1      -1.438  -1.087   0.234  1.00  0.00           C  
HETATM   16  C10 UNL     1      -2.341  -0.100   0.947  1.00  0.00           C  
HETATM   17  O2  UNL     1      -3.485  -0.687   1.435  1.00  0.00           O  
HETATM   18  H1  UNL     1      -4.491  -0.069  -0.448  1.00  0.00           H  
HETATM   19  H2  UNL     1      -4.589   1.743  -0.407  1.00  0.00           H  
HETATM   20  H3  UNL     1      -3.843   0.935  -1.806  1.00  0.00           H  
HETATM   21  H4  UNL     1      -2.493   1.942   0.400  1.00  0.00           H  
HETATM   22  H5  UNL     1      -0.643  -0.826  -1.725  1.00  0.00           H  
HETATM   23  H6  UNL     1      -0.017   2.098   0.605  1.00  0.00           H  
HETATM   24  H7  UNL     1       5.203   1.621   0.275  1.00  0.00           H  
HETATM   25  H8  UNL     1       5.353   0.453   1.610  1.00  0.00           H  
HETATM   26  H9  UNL     1       3.577  -2.949  -1.558  1.00  0.00           H  
HETATM   27  H10 UNL     1      -2.032  -1.888  -0.245  1.00  0.00           H  
HETATM   28  H11 UNL     1      -0.681  -1.473   0.934  1.00  0.00           H  
HETATM   29  H12 UNL     1      -1.773   0.307   1.832  1.00  0.00           H  
HETATM   30  H13 UNL     1      -3.293  -1.047   2.337  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3   16   21
CONECT    3    4
CONECT    4    5   15   22
CONECT    5    6   14
CONECT    6    7    7   23
CONECT    7    8
CONECT    8    9    9   14
CONECT    9   10   11
CONECT   10   24   25
CONECT   11   12   12
CONECT   12   13   26
CONECT   13   14   14
CONECT   15   16   27   28
CONECT   16   17   29
CONECT   17   30
END