COMPND    HMDB0248553
HETATM    1  N1  UNL     1       5.139   0.182  -0.625  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.890   0.023  -0.341  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.561  -0.872   0.657  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.220  -1.021   0.939  1.00  0.00           C  
HETATM    5  N2  UNL     1       1.295  -0.316   0.261  1.00  0.00           N  
HETATM    6  C4  UNL     1      -0.089  -0.504   0.589  1.00  0.00           C  
HETATM    7  O1  UNL     1      -0.665   0.747   0.763  1.00  0.00           O  
HETATM    8  C5  UNL     1      -2.014   0.469   0.843  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.764   1.752   0.557  1.00  0.00           C  
HETATM   10  O2  UNL     1      -2.358   2.674   1.544  1.00  0.00           O  
HETATM   11  C7  UNL     1      -2.306  -0.597  -0.184  1.00  0.00           C  
HETATM   12  O3  UNL     1      -3.058  -1.584   0.445  1.00  0.00           O  
HETATM   13  C8  UNL     1      -0.901  -1.109  -0.513  1.00  0.00           C  
HETATM   14  O4  UNL     1      -0.854  -2.502  -0.416  1.00  0.00           O  
HETATM   15  C9  UNL     1       1.611   0.557  -0.711  1.00  0.00           C  
HETATM   16  O5  UNL     1       0.630   1.277  -1.400  1.00  0.00           O  
HETATM   17  N3  UNL     1       2.918   0.707  -0.991  1.00  0.00           N  
HETATM   18  H1  UNL     1       5.372   0.862  -1.381  1.00  0.00           H  
HETATM   19  H2  UNL     1       4.339  -1.417   1.174  1.00  0.00           H  
HETATM   20  H3  UNL     1       1.929  -1.729   1.730  1.00  0.00           H  
HETATM   21  H4  UNL     1      -0.235  -1.102   1.511  1.00  0.00           H  
HETATM   22  H5  UNL     1      -2.224   0.125   1.870  1.00  0.00           H  
HETATM   23  H6  UNL     1      -3.850   1.630   0.542  1.00  0.00           H  
HETATM   24  H7  UNL     1      -2.440   2.181  -0.410  1.00  0.00           H  
HETATM   25  H8  UNL     1      -2.761   3.551   1.402  1.00  0.00           H  
HETATM   26  H9  UNL     1      -2.767  -0.216  -1.098  1.00  0.00           H  
HETATM   27  H10 UNL     1      -2.520  -2.369   0.631  1.00  0.00           H  
HETATM   28  H11 UNL     1      -0.546  -0.742  -1.480  1.00  0.00           H  
HETATM   29  H12 UNL     1      -1.072  -2.938  -1.290  1.00  0.00           H  
HETATM   30  H13 UNL     1       0.518   2.279  -1.211  1.00  0.00           H  
CONECT    1    2    2   18
CONECT    2    3   17
CONECT    3    4    4   19
CONECT    4    5   20
CONECT    5    6   15
CONECT    6    7   13   21
CONECT    7    8
CONECT    8    9   11   22
CONECT    9   10   23   24
CONECT   10   25
CONECT   11   12   13   26
CONECT   12   27
CONECT   13   14   28
CONECT   14   29
CONECT   15   16   17   17
CONECT   16   30
END