COMPND    HMDB0040868
HETATM    1  C1  UNL     1      -3.980   2.588   0.652  1.00  0.00           C  
HETATM    2  O1  UNL     1      -4.354   1.229   0.814  1.00  0.00           O  
HETATM    3  C2  UNL     1      -3.387   0.237   0.573  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.718  -1.094   0.721  1.00  0.00           C  
HETATM    5  C4  UNL     1      -2.782  -2.078   0.485  1.00  0.00           C  
HETATM    6  O2  UNL     1      -3.152  -3.404   0.645  1.00  0.00           O  
HETATM    7  C5  UNL     1      -1.470  -1.740   0.087  1.00  0.00           C  
HETATM    8  C6  UNL     1      -0.588  -2.820  -0.272  1.00  0.00           C  
HETATM    9  O3  UNL     1      -1.037  -4.035  -0.203  1.00  0.00           O  
HETATM   10  O4  UNL     1       0.702  -2.737  -0.702  1.00  0.00           O  
HETATM   11  C7  UNL     1      -1.138  -0.437  -0.052  1.00  0.00           C  
HETATM   12  C8  UNL     1       0.191   0.127  -0.205  1.00  0.00           C  
HETATM   13  C9  UNL     1       1.332  -0.293   0.241  1.00  0.00           C  
HETATM   14  C10 UNL     1       2.629   0.360   0.013  1.00  0.00           C  
HETATM   15  C11 UNL     1       3.763  -0.239   0.571  1.00  0.00           C  
HETATM   16  C12 UNL     1       5.022   0.299   0.412  1.00  0.00           C  
HETATM   17  C13 UNL     1       5.147   1.461  -0.321  1.00  0.00           C  
HETATM   18  C14 UNL     1       4.062   2.075  -0.882  1.00  0.00           C  
HETATM   19  C15 UNL     1       2.809   1.511  -0.705  1.00  0.00           C  
HETATM   20  C16 UNL     1      -2.117   0.561   0.193  1.00  0.00           C  
HETATM   21  H1  UNL     1      -3.061   2.732   1.289  1.00  0.00           H  
HETATM   22  H2  UNL     1      -4.750   3.278   1.003  1.00  0.00           H  
HETATM   23  H3  UNL     1      -3.783   2.762  -0.415  1.00  0.00           H  
HETATM   24  H4  UNL     1      -4.723  -1.343   1.026  1.00  0.00           H  
HETATM   25  H5  UNL     1      -4.068  -3.657   0.923  1.00  0.00           H  
HETATM   26  H6  UNL     1       0.939  -2.465  -1.664  1.00  0.00           H  
HETATM   27  H7  UNL     1       0.258   1.064  -0.812  1.00  0.00           H  
HETATM   28  H8  UNL     1       1.313  -1.165   0.910  1.00  0.00           H  
HETATM   29  H9  UNL     1       3.690  -1.147   1.148  1.00  0.00           H  
HETATM   30  H10 UNL     1       5.906  -0.153   0.838  1.00  0.00           H  
HETATM   31  H11 UNL     1       6.118   1.919  -0.472  1.00  0.00           H  
HETATM   32  H12 UNL     1       4.120   2.979  -1.459  1.00  0.00           H  
HETATM   33  H13 UNL     1       1.962   2.003  -1.151  1.00  0.00           H  
HETATM   34  H14 UNL     1      -1.856   1.622   0.074  1.00  0.00           H  
CONECT    1    2   21   22   23
CONECT    2    3
CONECT    3    4    4   20
CONECT    4    5   24
CONECT    5    6    7    7
CONECT    6   25
CONECT    7    8   11
CONECT    8    9    9   10
CONECT   10   26
CONECT   11   12   20   20
CONECT   12   13   13   27
CONECT   13   14   28
CONECT   14   15   15   19
CONECT   15   16   29
CONECT   16   17   17   30
CONECT   17   18   31
CONECT   18   19   19   32
CONECT   19   33
CONECT   20   34
END