COMPND    HMDB0246421
HETATM    1  O1  UNL     1      -3.736  -1.942  -1.743  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.907  -1.294  -0.682  1.00  0.00           C  
HETATM    3  O2  UNL     1      -5.099  -1.427   0.008  1.00  0.00           O  
HETATM    4  C2  UNL     1      -2.848  -0.413  -0.195  1.00  0.00           C  
HETATM    5  C3  UNL     1      -3.024   0.307   0.973  1.00  0.00           C  
HETATM    6  C4  UNL     1      -2.045   1.147   1.459  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.845   1.286   0.774  1.00  0.00           C  
HETATM    8  F1  UNL     1       0.075   2.138   1.312  1.00  0.00           F  
HETATM    9  C6  UNL     1      -0.653   0.583  -0.380  1.00  0.00           C  
HETATM   10  O3  UNL     1       0.526   0.711  -1.069  1.00  0.00           O  
HETATM   11  C7  UNL     1       1.784   0.396  -0.581  1.00  0.00           C  
HETATM   12  C8  UNL     1       2.002  -0.139   0.670  1.00  0.00           C  
HETATM   13  C9  UNL     1       3.275  -0.449   1.146  1.00  0.00           C  
HETATM   14  C10 UNL     1       4.375  -0.220   0.352  1.00  0.00           C  
HETATM   15  C11 UNL     1       4.174   0.309  -0.886  1.00  0.00           C  
HETATM   16  C12 UNL     1       2.917   0.617  -1.361  1.00  0.00           C  
HETATM   17  C13 UNL     1      -1.653  -0.254  -0.848  1.00  0.00           C  
HETATM   18  H1  UNL     1      -5.347  -2.310   0.469  1.00  0.00           H  
HETATM   19  H2  UNL     1      -3.957   0.199   1.507  1.00  0.00           H  
HETATM   20  H3  UNL     1      -2.189   1.718   2.389  1.00  0.00           H  
HETATM   21  H4  UNL     1       1.134  -0.325   1.302  1.00  0.00           H  
HETATM   22  H5  UNL     1       3.391  -0.868   2.137  1.00  0.00           H  
HETATM   23  H6  UNL     1       5.361  -0.468   0.741  1.00  0.00           H  
HETATM   24  H7  UNL     1       5.055   0.485  -1.505  1.00  0.00           H  
HETATM   25  H8  UNL     1       2.750   1.040  -2.353  1.00  0.00           H  
HETATM   26  H9  UNL     1      -1.516  -0.827  -1.776  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   18
CONECT    4    5    5   17
CONECT    5    6   19
CONECT    6    7    7   20
CONECT    7    8    9
CONECT    9   10   17   17
CONECT   10   11
CONECT   11   12   12   16
CONECT   12   13   21
CONECT   13   14   14   22
CONECT   14   15   23
CONECT   15   16   16   24
CONECT   16   25
CONECT   17   26
END