COMPND    HMDB0030552
HETATM    1  O1  UNL     1       0.999  -0.835  -2.354  1.00  0.00           O  
HETATM    2  C1  UNL     1       0.497  -0.429  -1.261  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.950  -0.339  -1.103  1.00  0.00           C  
HETATM    4  O2  UNL     1      -1.965  -0.599  -1.891  1.00  0.00           O  
HETATM    5  C3  UNL     1      -3.106  -0.357  -1.292  1.00  0.00           C  
HETATM    6  C4  UNL     1      -4.415  -0.477  -1.711  1.00  0.00           C  
HETATM    7  C5  UNL     1      -5.438  -0.136  -0.832  1.00  0.00           C  
HETATM    8  O3  UNL     1      -6.742  -0.271  -1.289  1.00  0.00           O  
HETATM    9  C6  UNL     1      -5.167   0.316   0.441  1.00  0.00           C  
HETATM   10  O4  UNL     1      -6.222   0.654   1.310  1.00  0.00           O  
HETATM   11  C7  UNL     1      -3.848   0.426   0.831  1.00  0.00           C  
HETATM   12  C8  UNL     1      -2.803   0.096  -0.017  1.00  0.00           C  
HETATM   13  C9  UNL     1      -1.428   0.110   0.110  1.00  0.00           C  
HETATM   14  C10 UNL     1      -0.556   0.487   1.215  1.00  0.00           C  
HETATM   15  O5  UNL     1      -1.015   0.894   2.313  1.00  0.00           O  
HETATM   16  C11 UNL     1       0.901   0.398   1.061  1.00  0.00           C  
HETATM   17  O6  UNL     1       1.912   0.665   1.867  1.00  0.00           O  
HETATM   18  C12 UNL     1       3.054   0.416   1.251  1.00  0.00           C  
HETATM   19  C13 UNL     1       4.371   0.525   1.638  1.00  0.00           C  
HETATM   20  C14 UNL     1       5.407   0.183   0.757  1.00  0.00           C  
HETATM   21  O7  UNL     1       6.726   0.299   1.164  1.00  0.00           O  
HETATM   22  C15 UNL     1       5.066  -0.262  -0.501  1.00  0.00           C  
HETATM   23  O8  UNL     1       6.026  -0.615  -1.419  1.00  0.00           O  
HETATM   24  C16 UNL     1       3.731  -0.379  -0.913  1.00  0.00           C  
HETATM   25  C17 UNL     1       2.767  -0.035  -0.020  1.00  0.00           C  
HETATM   26  C18 UNL     1       1.373  -0.051  -0.153  1.00  0.00           C  
HETATM   27  H1  UNL     1      -4.641  -0.831  -2.707  1.00  0.00           H  
HETATM   28  H2  UNL     1      -7.544  -0.048  -0.722  1.00  0.00           H  
HETATM   29  H3  UNL     1      -6.037   0.987   2.246  1.00  0.00           H  
HETATM   30  H4  UNL     1      -3.587   0.775   1.818  1.00  0.00           H  
HETATM   31  H5  UNL     1       4.645   0.878   2.635  1.00  0.00           H  
HETATM   32  H6  UNL     1       7.525   0.079   0.606  1.00  0.00           H  
HETATM   33  H7  UNL     1       7.001  -0.557  -1.194  1.00  0.00           H  
HETATM   34  H8  UNL     1       3.463  -0.724  -1.886  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   26
CONECT    3    4   13   13
CONECT    4    5
CONECT    5    6    6   12
CONECT    6    7   27
CONECT    7    8    9    9
CONECT    8   28
CONECT    9   10   11
CONECT   10   29
CONECT   11   12   12   30
CONECT   12   13
CONECT   13   14
CONECT   14   15   15   16
CONECT   16   17   26   26
CONECT   17   18
CONECT   18   19   19   25
CONECT   19   20   31
CONECT   20   21   22   22
CONECT   21   32
CONECT   22   23   24
CONECT   23   33
CONECT   24   25   25   34
CONECT   25   26
END