COMPND    HMDB0243811
HETATM    1  C1  UNL     1       3.291   0.307   0.668  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.623   0.140  -0.643  1.00  0.00           C  
HETATM    3  O1  UNL     1       3.270   0.367  -1.831  1.00  0.00           O  
HETATM    4  N1  UNL     1       1.402  -0.226  -0.683  1.00  0.00           N  
HETATM    5  N2  UNL     1       0.564  -0.506   0.376  1.00  0.00           N  
HETATM    6  C3  UNL     1      -0.817  -0.257   0.212  1.00  0.00           C  
HETATM    7  C4  UNL     1      -1.529  -0.979  -0.736  1.00  0.00           C  
HETATM    8  C5  UNL     1      -2.879  -0.755  -0.905  1.00  0.00           C  
HETATM    9  C6  UNL     1      -3.519   0.195  -0.120  1.00  0.00           C  
HETATM   10  C7  UNL     1      -2.830   0.928   0.833  1.00  0.00           C  
HETATM   11  C8  UNL     1      -1.459   0.679   0.981  1.00  0.00           C  
HETATM   12  H1  UNL     1       2.949   1.253   1.112  1.00  0.00           H  
HETATM   13  H2  UNL     1       4.407   0.286   0.544  1.00  0.00           H  
HETATM   14  H3  UNL     1       3.034  -0.519   1.360  1.00  0.00           H  
HETATM   15  H4  UNL     1       3.855  -0.293  -2.324  1.00  0.00           H  
HETATM   16  H5  UNL     1       0.913  -0.886   1.278  1.00  0.00           H  
HETATM   17  H6  UNL     1      -1.008  -1.702  -1.326  1.00  0.00           H  
HETATM   18  H7  UNL     1      -3.474  -1.294  -1.636  1.00  0.00           H  
HETATM   19  H8  UNL     1      -4.577   0.370  -0.253  1.00  0.00           H  
HETATM   20  H9  UNL     1      -3.321   1.666   1.449  1.00  0.00           H  
HETATM   21  H10 UNL     1      -0.897   1.228   1.710  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3    4    4
CONECT    3   15
CONECT    4    5
CONECT    5    6   16
CONECT    6    7    7   11
CONECT    7    8   17
CONECT    8    9    9   18
CONECT    9   10   19
CONECT   10   11   11   20
CONECT   11   21
END