COMPND    HMDB0094670
HETATM    1  C1  UNL     1       3.334   0.403   1.212  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.892  -0.123  -0.145  1.00  0.00           C  
HETATM    3  C3  UNL     1       3.420  -1.522  -0.340  1.00  0.00           C  
HETATM    4  C4  UNL     1       3.478   0.724  -1.269  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.416  -0.079  -0.162  1.00  0.00           C  
HETATM    6  C6  UNL     1       0.737   1.036  -0.607  1.00  0.00           C  
HETATM    7  C7  UNL     1      -0.657   1.098  -0.641  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.379   0.003  -0.215  1.00  0.00           C  
HETATM    9  C9  UNL     1      -2.848   0.082  -0.256  1.00  0.00           C  
HETATM   10  C10 UNL     1      -3.274   1.067  -1.322  1.00  0.00           C  
HETATM   11  C11 UNL     1      -3.557  -1.201  -0.512  1.00  0.00           C  
HETATM   12  C12 UNL     1      -3.401   0.634   1.068  1.00  0.00           C  
HETATM   13  C13 UNL     1      -0.678  -1.091   0.221  1.00  0.00           C  
HETATM   14  C14 UNL     1       0.705  -1.173   0.265  1.00  0.00           C  
HETATM   15  H1  UNL     1       2.504   0.941   1.741  1.00  0.00           H  
HETATM   16  H2  UNL     1       4.155   1.132   1.108  1.00  0.00           H  
HETATM   17  H3  UNL     1       3.612  -0.456   1.839  1.00  0.00           H  
HETATM   18  H4  UNL     1       3.885  -1.909   0.616  1.00  0.00           H  
HETATM   19  H5  UNL     1       4.268  -1.545  -1.077  1.00  0.00           H  
HETATM   20  H6  UNL     1       2.668  -2.219  -0.702  1.00  0.00           H  
HETATM   21  H7  UNL     1       2.730   0.958  -2.040  1.00  0.00           H  
HETATM   22  H8  UNL     1       4.317   0.189  -1.790  1.00  0.00           H  
HETATM   23  H9  UNL     1       3.929   1.617  -0.809  1.00  0.00           H  
HETATM   24  H10 UNL     1       1.299   1.887  -0.935  1.00  0.00           H  
HETATM   25  H11 UNL     1      -1.095   2.017  -1.002  1.00  0.00           H  
HETATM   26  H12 UNL     1      -3.503   2.076  -0.919  1.00  0.00           H  
HETATM   27  H13 UNL     1      -2.538   1.184  -2.144  1.00  0.00           H  
HETATM   28  H14 UNL     1      -4.211   0.731  -1.822  1.00  0.00           H  
HETATM   29  H15 UNL     1      -4.068  -1.204  -1.524  1.00  0.00           H  
HETATM   30  H16 UNL     1      -2.959  -2.109  -0.479  1.00  0.00           H  
HETATM   31  H17 UNL     1      -4.423  -1.370   0.195  1.00  0.00           H  
HETATM   32  H18 UNL     1      -4.398   1.089   0.891  1.00  0.00           H  
HETATM   33  H19 UNL     1      -3.570  -0.217   1.791  1.00  0.00           H  
HETATM   34  H20 UNL     1      -2.720   1.393   1.498  1.00  0.00           H  
HETATM   35  H21 UNL     1      -1.229  -1.958   0.561  1.00  0.00           H  
HETATM   36  H22 UNL     1       1.160  -2.086   0.635  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3    4    5
CONECT    3   18   19   20
CONECT    4   21   22   23
CONECT    5    6    6   14
CONECT    6    7   24
CONECT    7    8    8   25
CONECT    8    9   13
CONECT    9   10   11   12
CONECT   10   26   27   28
CONECT   11   29   30   31
CONECT   12   32   33   34
CONECT   13   14   14   35
CONECT   14   36
END