COMPND    HMDB0015511
HETATM    1  O1  UNL     1      -2.427   3.582  -0.927  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.091   2.505  -0.350  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.182   2.625   0.847  1.00  0.00           C  
HETATM    4  N1  UNL     1       0.029   1.824   0.653  1.00  0.00           N  
HETATM    5  C3  UNL     1       0.206   0.597   0.286  1.00  0.00           C  
HETATM    6  C4  UNL     1       1.547   0.069   0.177  1.00  0.00           C  
HETATM    7  C5  UNL     1       2.574   0.954   0.545  1.00  0.00           C  
HETATM    8  C6  UNL     1       3.907   0.620   0.446  1.00  0.00           C  
HETATM    9  C7  UNL     1       4.256  -0.622  -0.028  1.00  0.00           C  
HETATM   10  C8  UNL     1       3.227  -1.489  -0.389  1.00  0.00           C  
HETATM   11  N2  UNL     1       1.943  -1.111  -0.272  1.00  0.00           N  
HETATM   12  C9  UNL     1      -0.894  -0.315  -0.006  1.00  0.00           C  
HETATM   13  C10 UNL     1      -0.599  -1.624   0.307  1.00  0.00           C  
HETATM   14  C11 UNL     1      -1.499  -2.644   0.083  1.00  0.00           C  
HETATM   15 BR1  UNL     1      -1.074  -4.444   0.516  1.00  0.00          BR  
HETATM   16  C12 UNL     1      -2.729  -2.306  -0.475  1.00  0.00           C  
HETATM   17  C13 UNL     1      -3.069  -1.018  -0.801  1.00  0.00           C  
HETATM   18  C14 UNL     1      -2.127  -0.041  -0.553  1.00  0.00           C  
HETATM   19  N3  UNL     1      -2.606   1.277  -0.890  1.00  0.00           N  
HETATM   20  H1  UNL     1      -0.892   3.663   0.993  1.00  0.00           H  
HETATM   21  H2  UNL     1      -1.771   2.272   1.719  1.00  0.00           H  
HETATM   22  H3  UNL     1       2.319   1.945   0.924  1.00  0.00           H  
HETATM   23  H4  UNL     1       4.647   1.362   0.752  1.00  0.00           H  
HETATM   24  H5  UNL     1       5.296  -0.892  -0.109  1.00  0.00           H  
HETATM   25  H6  UNL     1       3.499  -2.471  -0.765  1.00  0.00           H  
HETATM   26  H7  UNL     1       0.337  -1.871   0.767  1.00  0.00           H  
HETATM   27  H8  UNL     1      -3.443  -3.086  -0.657  1.00  0.00           H  
HETATM   28  H9  UNL     1      -4.016  -0.710  -1.237  1.00  0.00           H  
HETATM   29  H10 UNL     1      -3.370   1.350  -1.557  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   19
CONECT    3    4   20   21
CONECT    4    5    5
CONECT    5    6   12
CONECT    6    7    7   11
CONECT    7    8   22
CONECT    8    9    9   23
CONECT    9   10   24
CONECT   10   11   11   25
CONECT   12   13   13   18
CONECT   13   14   26
CONECT   14   15   16   16
CONECT   16   17   27
CONECT   17   18   18   28
CONECT   18   19
CONECT   19   29
END