COMPND    HMDB0060091
HETATM    1  C1  UNL     1       4.619   0.837  -0.149  1.00  0.00           C  
HETATM    2  C2  UNL     1       4.374  -0.500  -0.353  1.00  0.00           C  
HETATM    3  C3  UNL     1       3.123  -1.055  -0.393  1.00  0.00           C  
HETATM    4  C4  UNL     1       2.031  -0.228  -0.219  1.00  0.00           C  
HETATM    5  C5  UNL     1       2.254   1.143  -0.009  1.00  0.00           C  
HETATM    6  C6  UNL     1       3.534   1.658   0.023  1.00  0.00           C  
HETATM    7  C7  UNL     1       1.180   1.977   0.170  1.00  0.00           C  
HETATM    8  C8  UNL     1      -0.131   1.497   0.144  1.00  0.00           C  
HETATM    9  C9  UNL     1      -0.341   0.146  -0.082  1.00  0.00           C  
HETATM   10  C10 UNL     1       0.750  -0.723  -0.256  1.00  0.00           C  
HETATM   11  C11 UNL     1       0.512  -2.071  -0.375  1.00  0.00           C  
HETATM   12  C12 UNL     1      -0.802  -2.564  -0.330  1.00  0.00           C  
HETATM   13  C13 UNL     1      -1.860  -1.699  -0.175  1.00  0.00           C  
HETATM   14  C14 UNL     1      -3.166  -2.133  -0.196  1.00  0.00           C  
HETATM   15  C15 UNL     1      -4.235  -1.257  -0.118  1.00  0.00           C  
HETATM   16  C16 UNL     1      -4.022   0.078  -0.021  1.00  0.00           C  
HETATM   17  C17 UNL     1      -2.711   0.557   0.004  1.00  0.00           C  
HETATM   18  C18 UNL     1      -1.639  -0.324  -0.056  1.00  0.00           C  
HETATM   19  C19 UNL     1      -2.398   1.941  -0.244  1.00  0.00           C  
HETATM   20  O1  UNL     1      -2.180   3.078   0.324  1.00  0.00           O  
HETATM   21  C20 UNL     1      -1.240   2.258   0.655  1.00  0.00           C  
HETATM   22  H1  UNL     1       5.640   1.246  -0.124  1.00  0.00           H  
HETATM   23  H2  UNL     1       5.242  -1.137  -0.488  1.00  0.00           H  
HETATM   24  H3  UNL     1       3.049  -2.113  -0.560  1.00  0.00           H  
HETATM   25  H4  UNL     1       3.710   2.708   0.184  1.00  0.00           H  
HETATM   26  H5  UNL     1       1.275   3.043   0.341  1.00  0.00           H  
HETATM   27  H6  UNL     1       1.302  -2.752  -0.501  1.00  0.00           H  
HETATM   28  H7  UNL     1      -0.945  -3.619  -0.419  1.00  0.00           H  
HETATM   29  H8  UNL     1      -3.334  -3.207  -0.279  1.00  0.00           H  
HETATM   30  H9  UNL     1      -5.230  -1.634  -0.133  1.00  0.00           H  
HETATM   31  H10 UNL     1      -4.792   0.837   0.040  1.00  0.00           H  
HETATM   32  H11 UNL     1      -2.195   2.040  -1.390  1.00  0.00           H  
HETATM   33  H12 UNL     1      -1.374   1.970   1.779  1.00  0.00           H  
CONECT    1    2    2    6   22
CONECT    2    3   23
CONECT    3    4    4   24
CONECT    4    5   10
CONECT    5    6    6    7
CONECT    6   25
CONECT    7    8    8   26
CONECT    8    9   21
CONECT    9   10   10   18
CONECT   10   11
CONECT   11   12   12   27
CONECT   12   13   28
CONECT   13   14   14   18
CONECT   14   15   29
CONECT   15   16   16   30
CONECT   16   17   31
CONECT   17   18   18   19
CONECT   19   20   21   32
CONECT   20   21
CONECT   21   33
END