COMPND    HMDB0032848
HETATM    1  O1  UNL     1      -3.934  -1.928   0.496  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.963  -1.164   0.631  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.982   0.197   0.093  1.00  0.00           C  
HETATM    4  C3  UNL     1      -4.179   0.878  -0.061  1.00  0.00           C  
HETATM    5  C4  UNL     1      -4.148   2.166  -0.547  1.00  0.00           C  
HETATM    6  C5  UNL     1      -2.946   2.752  -0.870  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.726   2.084  -0.724  1.00  0.00           C  
HETATM    8  C7  UNL     1      -0.558   2.735  -1.045  1.00  0.00           C  
HETATM    9  C8  UNL     1       0.605   2.051  -0.865  1.00  0.00           C  
HETATM   10  C9  UNL     1       0.623   0.729  -0.373  1.00  0.00           C  
HETATM   11  C10 UNL     1       1.917   0.110  -0.154  1.00  0.00           C  
HETATM   12  C11 UNL     1       2.434  -0.161   1.093  1.00  0.00           C  
HETATM   13  C12 UNL     1       3.675  -0.760   1.227  1.00  0.00           C  
HETATM   14  C13 UNL     1       4.442  -1.109   0.134  1.00  0.00           C  
HETATM   15  O2  UNL     1       5.687  -1.710   0.315  1.00  0.00           O  
HETATM   16  C14 UNL     1       3.931  -0.840  -1.119  1.00  0.00           C  
HETATM   17  C15 UNL     1       2.705  -0.248  -1.247  1.00  0.00           C  
HETATM   18  C16 UNL     1      -0.556   0.114  -0.069  1.00  0.00           C  
HETATM   19  C17 UNL     1      -1.780   0.781  -0.233  1.00  0.00           C  
HETATM   20  C18 UNL     1      -0.604  -1.305   0.315  1.00  0.00           C  
HETATM   21  O3  UNL     1       0.575  -1.898   0.660  1.00  0.00           O  
HETATM   22  C19 UNL     1      -1.697  -1.525   1.338  1.00  0.00           C  
HETATM   23  O4  UNL     1      -1.737  -2.853   1.766  1.00  0.00           O  
HETATM   24  H1  UNL     1      -5.104   0.383   0.202  1.00  0.00           H  
HETATM   25  H2  UNL     1      -5.095   2.700  -0.667  1.00  0.00           H  
HETATM   26  H3  UNL     1      -2.897   3.764  -1.252  1.00  0.00           H  
HETATM   27  H4  UNL     1      -0.590   3.740  -1.419  1.00  0.00           H  
HETATM   28  H5  UNL     1       1.550   2.511  -1.098  1.00  0.00           H  
HETATM   29  H6  UNL     1       1.863   0.102   1.988  1.00  0.00           H  
HETATM   30  H7  UNL     1       4.095  -0.981   2.215  1.00  0.00           H  
HETATM   31  H8  UNL     1       6.529  -1.151   0.398  1.00  0.00           H  
HETATM   32  H9  UNL     1       4.538  -1.115  -1.990  1.00  0.00           H  
HETATM   33  H10 UNL     1       2.310  -0.040  -2.220  1.00  0.00           H  
HETATM   34  H11 UNL     1      -1.009  -1.892  -0.605  1.00  0.00           H  
HETATM   35  H12 UNL     1       0.488  -2.874   0.528  1.00  0.00           H  
HETATM   36  H13 UNL     1      -1.577  -0.835   2.190  1.00  0.00           H  
HETATM   37  H14 UNL     1      -1.882  -3.408   0.973  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   22
CONECT    3    4   19   19
CONECT    4    5    5   24
CONECT    5    6   25
CONECT    6    7    7   26
CONECT    7    8   19
CONECT    8    9    9   27
CONECT    9   10   28
CONECT   10   11   18   18
CONECT   11   12   12   17
CONECT   12   13   29
CONECT   13   14   14   30
CONECT   14   15   16
CONECT   15   31
CONECT   16   17   17   32
CONECT   17   33
CONECT   18   19   20
CONECT   20   21   22   34
CONECT   21   35
CONECT   22   23   36
CONECT   23   37
END