COMPND    HMDB0248598
HETATM    1  C1  UNL     1       4.887  -1.615   0.572  1.00  0.00           C  
HETATM    2  O1  UNL     1       3.490  -1.673   0.340  1.00  0.00           O  
HETATM    3  C2  UNL     1       2.784  -0.471   0.269  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.432   0.732   0.421  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.734   1.912   0.350  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.353   1.934   0.123  1.00  0.00           C  
HETATM    7  C6  UNL     1       0.706   0.737  -0.029  1.00  0.00           C  
HETATM    8  C7  UNL     1       1.407  -0.468   0.041  1.00  0.00           C  
HETATM    9  C8  UNL     1       0.792  -1.665  -0.116  1.00  0.00           C  
HETATM   10  C9  UNL     1      -0.598  -1.719  -0.356  1.00  0.00           C  
HETATM   11  N1  UNL     1      -1.058  -3.006  -0.646  1.00  0.00           N1+
HETATM   12  O2  UNL     1      -0.555  -3.995   0.014  1.00  0.00           O  
HETATM   13  O3  UNL     1      -1.995  -3.323  -1.554  1.00  0.00           O1-
HETATM   14  C10 UNL     1      -1.298  -0.558  -0.411  1.00  0.00           C  
HETATM   15  C11 UNL     1      -2.649  -0.592  -0.578  1.00  0.00           C  
HETATM   16  C12 UNL     1      -3.518  -1.744  -0.411  1.00  0.00           C  
HETATM   17  O4  UNL     1      -4.487  -1.875  -1.236  1.00  0.00           O  
HETATM   18  O5  UNL     1      -3.355  -2.654   0.580  1.00  0.00           O  
HETATM   19  C13 UNL     1      -3.361   0.610  -0.620  1.00  0.00           C  
HETATM   20  C14 UNL     1      -2.701   1.794  -0.479  1.00  0.00           C  
HETATM   21  C15 UNL     1      -1.339   1.870  -0.291  1.00  0.00           C  
HETATM   22  C16 UNL     1      -0.635   0.680  -0.251  1.00  0.00           C  
HETATM   23  O6  UNL     1      -1.073   3.227  -0.191  1.00  0.00           O  
HETATM   24  C17 UNL     1      -2.249   3.838   0.290  1.00  0.00           C  
HETATM   25  O7  UNL     1      -3.223   3.112  -0.488  1.00  0.00           O  
HETATM   26  H1  UNL     1       5.369  -1.054  -0.254  1.00  0.00           H  
HETATM   27  H2  UNL     1       5.360  -2.591   0.645  1.00  0.00           H  
HETATM   28  H3  UNL     1       5.113  -1.047   1.523  1.00  0.00           H  
HETATM   29  H4  UNL     1       4.508   0.692   0.596  1.00  0.00           H  
HETATM   30  H5  UNL     1       3.259   2.856   0.471  1.00  0.00           H  
HETATM   31  H6  UNL     1       0.901   2.898   0.085  1.00  0.00           H  
HETATM   32  H7  UNL     1       1.335  -2.612  -0.064  1.00  0.00           H  
HETATM   33  H8  UNL     1      -4.138  -3.223   0.925  1.00  0.00           H  
HETATM   34  H9  UNL     1      -4.423   0.562  -0.765  1.00  0.00           H  
HETATM   35  H10 UNL     1      -2.471   3.516   1.345  1.00  0.00           H  
HETATM   36  H11 UNL     1      -2.308   4.915   0.151  1.00  0.00           H  
CONECT    1    2   26   27   28
CONECT    2    3
CONECT    3    4    4    8
CONECT    4    5   29
CONECT    5    6    6   30
CONECT    6    7   31
CONECT    7    8    8   22
CONECT    8    9
CONECT    9   10   10   32
CONECT   10   11   14
CONECT   11   12   12   13
CONECT   14   15   15   22
CONECT   15   16   19
CONECT   16   17   17   18
CONECT   18   33
CONECT   19   20   20   34
CONECT   20   21   25
CONECT   21   22   22   23
CONECT   23   24
CONECT   24   25   35   36
END