COMPND    HMDB0034129
HETATM    1  C1  UNL     1      -2.627  -3.087   1.410  1.00  0.00           C  
HETATM    2  O1  UNL     1      -1.884  -1.971   1.009  1.00  0.00           O  
HETATM    3  C2  UNL     1      -2.423  -0.813   0.468  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.779  -0.651   0.274  1.00  0.00           C  
HETATM    5  C4  UNL     1      -4.303   0.514  -0.271  1.00  0.00           C  
HETATM    6  C5  UNL     1      -3.389   1.512  -0.610  1.00  0.00           C  
HETATM    7  C6  UNL     1      -2.034   1.337  -0.411  1.00  0.00           C  
HETATM    8  C7  UNL     1      -1.518   0.174   0.132  1.00  0.00           C  
HETATM    9  C8  UNL     1      -0.082   0.050   0.334  1.00  0.00           C  
HETATM   10  C9  UNL     1       0.357  -0.346   1.579  1.00  0.00           C  
HETATM   11  O2  UNL     1       1.642  -0.455   1.786  1.00  0.00           O  
HETATM   12  C10 UNL     1       2.575  -0.217   0.896  1.00  0.00           C  
HETATM   13  C11 UNL     1       3.918  -0.378   1.251  1.00  0.00           C  
HETATM   14  C12 UNL     1       4.891  -0.133   0.316  1.00  0.00           C  
HETATM   15  O3  UNL     1       6.206  -0.205   0.372  1.00  0.00           O  
HETATM   16  C13 UNL     1       6.732   0.122  -0.777  1.00  0.00           C  
HETATM   17  C14 UNL     1       5.712   0.427  -1.643  1.00  0.00           C  
HETATM   18  C15 UNL     1       4.505   0.269  -0.957  1.00  0.00           C  
HETATM   19  C16 UNL     1       3.175   0.425  -1.292  1.00  0.00           C  
HETATM   20  C17 UNL     1       2.196   0.183  -0.367  1.00  0.00           C  
HETATM   21  C18 UNL     1       0.846   0.316  -0.647  1.00  0.00           C  
HETATM   22  O4  UNL     1       0.477   0.677  -1.786  1.00  0.00           O  
HETATM   23  O5  UNL     1      -4.161   2.558  -1.125  1.00  0.00           O  
HETATM   24  C19 UNL     1      -5.505   2.348  -0.753  1.00  0.00           C  
HETATM   25  O6  UNL     1      -5.583   0.950  -0.574  1.00  0.00           O  
HETATM   26  H1  UNL     1      -3.354  -3.430   0.632  1.00  0.00           H  
HETATM   27  H2  UNL     1      -1.901  -3.900   1.646  1.00  0.00           H  
HETATM   28  H3  UNL     1      -3.149  -2.833   2.368  1.00  0.00           H  
HETATM   29  H4  UNL     1      -4.482  -1.426   0.536  1.00  0.00           H  
HETATM   30  H5  UNL     1      -1.348   2.131  -0.685  1.00  0.00           H  
HETATM   31  H6  UNL     1      -0.374  -0.565   2.376  1.00  0.00           H  
HETATM   32  H7  UNL     1       4.152  -0.699   2.280  1.00  0.00           H  
HETATM   33  H8  UNL     1       7.790   0.144  -0.996  1.00  0.00           H  
HETATM   34  H9  UNL     1       5.779   0.734  -2.668  1.00  0.00           H  
HETATM   35  H10 UNL     1       2.907   0.738  -2.296  1.00  0.00           H  
HETATM   36  H11 UNL     1      -5.787   2.912   0.167  1.00  0.00           H  
HETATM   37  H12 UNL     1      -6.177   2.585  -1.613  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   25
CONECT    6    7   23
CONECT    7    8    8   30
CONECT    8    9
CONECT    9   10   10   21
CONECT   10   11   31
CONECT   11   12
CONECT   12   13   13   20
CONECT   13   14   32
CONECT   14   15   18   18
CONECT   15   16
CONECT   16   17   17   33
CONECT   17   18   34
CONECT   18   19
CONECT   19   20   20   35
CONECT   20   21
CONECT   21   22   22
CONECT   23   24
CONECT   24   25   36   37
END