COMPND    HMDB0254146
HETATM    1  N1  UNL     1       1.190   2.568   3.673  1.00  0.00           N  
HETATM    2  C1  UNL     1       0.906   1.928   2.768  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.551   1.135   1.608  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.788   0.932   1.295  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.171   0.189   0.207  1.00  0.00           C  
HETATM    6  N2  UNL     1      -2.509  -0.034  -0.133  1.00  0.00           N  
HETATM    7  C5  UNL     1      -3.661   0.421   0.518  1.00  0.00           C  
HETATM    8  O1  UNL     1      -3.702   1.119   1.535  1.00  0.00           O  
HETATM    9  C6  UNL     1      -4.981   0.046  -0.046  1.00  0.00           C  
HETATM   10  O2  UNL     1      -5.046  -0.672  -1.093  1.00  0.00           O  
HETATM   11  O3  UNL     1      -6.143   0.461   0.547  1.00  0.00           O  
HETATM   12  C7  UNL     1      -0.146  -0.336  -0.548  1.00  0.00           C  
HETATM   13 CL1  UNL     1      -0.558  -1.295  -1.952  1.00  0.00          CL  
HETATM   14  C8  UNL     1       1.208  -0.154  -0.266  1.00  0.00           C  
HETATM   15  N3  UNL     1       2.172  -0.742  -1.114  1.00  0.00           N  
HETATM   16  C9  UNL     1       3.555  -0.652  -0.965  1.00  0.00           C  
HETATM   17  O4  UNL     1       4.133  -0.021  -0.038  1.00  0.00           O  
HETATM   18  C10 UNL     1       4.426  -1.336  -1.954  1.00  0.00           C  
HETATM   19  O5  UNL     1       3.871  -1.964  -2.876  1.00  0.00           O  
HETATM   20  O6  UNL     1       5.787  -1.240  -1.797  1.00  0.00           O  
HETATM   21  C11 UNL     1       1.550   0.590   0.824  1.00  0.00           C  
HETATM   22  H1  UNL     1      -1.560   1.375   1.933  1.00  0.00           H  
HETATM   23  H2  UNL     1      -2.649  -0.637  -1.015  1.00  0.00           H  
HETATM   24  H3  UNL     1      -7.009  -0.017   0.587  1.00  0.00           H  
HETATM   25  H4  UNL     1       1.843  -1.317  -1.957  1.00  0.00           H  
HETATM   26  H5  UNL     1       6.160  -1.138  -0.871  1.00  0.00           H  
HETATM   27  H6  UNL     1       2.571   0.793   1.131  1.00  0.00           H  
CONECT    1    2    2    2
CONECT    2    3
CONECT    3    4    4   21
CONECT    4    5   22
CONECT    5    6   12   12
CONECT    6    7   23
CONECT    7    8    8    9
CONECT    9   10   10   11
CONECT   11   24
CONECT   12   13   14
CONECT   14   15   21   21
CONECT   15   16   25
CONECT   16   17   17   18
CONECT   18   19   19   20
CONECT   20   26
CONECT   21   27
END