COMPND    HMDB0014627
HETATM    1 BR1  UNL     1       1.519  -2.030   2.378  1.00  0.00          BR  
HETATM    2  C1  UNL     1       1.449  -0.800   0.925  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.219  -0.463   0.415  1.00  0.00           C  
HETATM    4  N1  UNL     1      -0.984  -1.006   0.942  1.00  0.00           N  
HETATM    5  C3  UNL     1      -2.266  -0.642   0.395  1.00  0.00           C  
HETATM    6  N2  UNL     1      -3.010  -1.332  -0.382  1.00  0.00           N  
HETATM    7  C4  UNL     1      -4.228  -0.663  -0.737  1.00  0.00           C  
HETATM    8  C5  UNL     1      -4.298   0.526   0.182  1.00  0.00           C  
HETATM    9  N3  UNL     1      -2.926   0.587   0.645  1.00  0.00           N  
HETATM   10  C6  UNL     1       0.201   0.441  -0.650  1.00  0.00           C  
HETATM   11  C7  UNL     1       1.386   0.949  -1.137  1.00  0.00           C  
HETATM   12  C8  UNL     1       2.615   0.604  -0.617  1.00  0.00           C  
HETATM   13  N4  UNL     1       3.745   1.120  -1.119  1.00  0.00           N  
HETATM   14  C9  UNL     1       4.959   0.776  -0.602  1.00  0.00           C  
HETATM   15  C10 UNL     1       4.990  -0.115   0.448  1.00  0.00           C  
HETATM   16  N5  UNL     1       3.839  -0.626   0.943  1.00  0.00           N  
HETATM   17  C11 UNL     1       2.637  -0.294   0.440  1.00  0.00           C  
HETATM   18  H1  UNL     1      -0.904  -1.674   1.734  1.00  0.00           H  
HETATM   19  H2  UNL     1      -5.065  -1.374  -0.553  1.00  0.00           H  
HETATM   20  H3  UNL     1      -4.259  -0.361  -1.805  1.00  0.00           H  
HETATM   21  H4  UNL     1      -4.608   1.456  -0.340  1.00  0.00           H  
HETATM   22  H5  UNL     1      -4.985   0.297   1.012  1.00  0.00           H  
HETATM   23  H6  UNL     1      -2.508   1.417   1.091  1.00  0.00           H  
HETATM   24  H7  UNL     1      -0.749   0.724  -1.071  1.00  0.00           H  
HETATM   25  H8  UNL     1       1.392   1.662  -1.975  1.00  0.00           H  
HETATM   26  H9  UNL     1       5.876   1.195  -1.010  1.00  0.00           H  
HETATM   27  H10 UNL     1       5.961  -0.377   0.846  1.00  0.00           H  
CONECT    1    2
CONECT    2    3    3   17
CONECT    3    4   10
CONECT    4    5   18
CONECT    5    6    6    9
CONECT    6    7
CONECT    7    8   19   20
CONECT    8    9   21   22
CONECT    9   23
CONECT   10   11   11   24
CONECT   11   12   25
CONECT   12   13   13   17
CONECT   13   14
CONECT   14   15   15   26
CONECT   15   16   27
CONECT   16   17   17
END