COMPND    HMDB0039238
HETATM    1  C1  UNL     1       4.695  -0.744  -0.074  1.00  0.00           C  
HETATM    2  C2  UNL     1       4.122  -0.369  -1.276  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.871   0.204  -1.267  1.00  0.00           C  
HETATM    4  C4  UNL     1       2.142   0.432  -0.122  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.794   1.051  -0.125  1.00  0.00           C  
HETATM    6  N1  UNL     1      -0.255   0.064  -0.238  1.00  0.00           N  
HETATM    7  C6  UNL     1      -1.597   0.515  -0.253  1.00  0.00           C  
HETATM    8  N2  UNL     1      -1.914   1.832  -0.165  1.00  0.00           N  
HETATM    9  C7  UNL     1      -3.198   2.237  -0.181  1.00  0.00           C  
HETATM   10  N3  UNL     1      -4.156   1.298  -0.288  1.00  0.00           N  
HETATM   11  C8  UNL     1      -3.910  -0.015  -0.379  1.00  0.00           C  
HETATM   12  N4  UNL     1      -4.641  -1.145  -0.492  1.00  0.00           N  
HETATM   13  C9  UNL     1      -3.860  -2.224  -0.545  1.00  0.00           C  
HETATM   14  N5  UNL     1      -2.582  -1.767  -0.464  1.00  0.00           N  
HETATM   15  C10 UNL     1      -2.605  -0.427  -0.362  1.00  0.00           C  
HETATM   16  C11 UNL     1       2.734   0.048   1.083  1.00  0.00           C  
HETATM   17  C12 UNL     1       3.991  -0.530   1.095  1.00  0.00           C  
HETATM   18  H1  UNL     1       5.674  -1.197  -0.032  1.00  0.00           H  
HETATM   19  H2  UNL     1       4.680  -0.538  -2.211  1.00  0.00           H  
HETATM   20  H3  UNL     1       2.403   0.506  -2.207  1.00  0.00           H  
HETATM   21  H4  UNL     1       0.668   1.766  -0.964  1.00  0.00           H  
HETATM   22  H5  UNL     1       0.601   1.622   0.810  1.00  0.00           H  
HETATM   23  H6  UNL     1      -0.009  -0.925  -0.305  1.00  0.00           H  
HETATM   24  H7  UNL     1      -3.446   3.304  -0.109  1.00  0.00           H  
HETATM   25  H8  UNL     1      -5.675  -1.138  -0.529  1.00  0.00           H  
HETATM   26  H9  UNL     1      -4.106  -3.274  -0.635  1.00  0.00           H  
HETATM   27  H10 UNL     1       2.161   0.227   1.990  1.00  0.00           H  
HETATM   28  H11 UNL     1       4.419  -0.816   2.060  1.00  0.00           H  
CONECT    1    2    2   17   18
CONECT    2    3   19
CONECT    3    4    4   20
CONECT    4    5   16
CONECT    5    6   21   22
CONECT    6    7   23
CONECT    7    8    8   15
CONECT    8    9
CONECT    9   10   10   24
CONECT   10   11
CONECT   11   12   15   15
CONECT   12   13   25
CONECT   13   14   14   26
CONECT   14   15
CONECT   16   17   17   27
CONECT   17   28
END