COMPND    HMDB0037545
HETATM    1 BR1  UNL     1       5.406   0.025   1.596  1.00  0.00          BR  
HETATM    2  C1  UNL     1       3.721   0.116   0.687  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.380  -0.796  -0.289  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.141  -0.707  -0.939  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.223   0.272  -0.641  1.00  0.00           C  
HETATM    6  O1  UNL     1       0.001   0.367  -1.270  1.00  0.00           O  
HETATM    7  C5  UNL     1      -1.239   0.078  -0.712  1.00  0.00           C  
HETATM    8  C6  UNL     1      -2.178   1.121  -0.675  1.00  0.00           C  
HETATM    9  C7  UNL     1      -3.406   0.899  -0.142  1.00  0.00           C  
HETATM   10  C8  UNL     1      -3.806  -0.319   0.382  1.00  0.00           C  
HETATM   11 BR2  UNL     1      -5.547  -0.551   1.112  1.00  0.00          BR  
HETATM   12  C9  UNL     1      -2.870  -1.329   0.336  1.00  0.00           C  
HETATM   13  C10 UNL     1      -1.606  -1.134  -0.203  1.00  0.00           C  
HETATM   14 BR3  UNL     1      -0.387  -2.605  -0.209  1.00  0.00          BR  
HETATM   15  C11 UNL     1       1.582   1.195   0.355  1.00  0.00           C  
HETATM   16  C12 UNL     1       2.798   1.096   0.982  1.00  0.00           C  
HETATM   17  H1  UNL     1       4.095  -1.570  -0.530  1.00  0.00           H  
HETATM   18  H2  UNL     1       1.930  -1.429  -1.705  1.00  0.00           H  
HETATM   19  H3  UNL     1      -1.869   2.089  -1.087  1.00  0.00           H  
HETATM   20  H4  UNL     1      -4.131   1.711  -0.115  1.00  0.00           H  
HETATM   21  H5  UNL     1      -3.154  -2.300   0.740  1.00  0.00           H  
HETATM   22  H6  UNL     1       0.851   1.963   0.581  1.00  0.00           H  
HETATM   23  H7  UNL     1       3.066   1.807   1.743  1.00  0.00           H  
CONECT    1    2
CONECT    2    3    3   16
CONECT    3    4   17
CONECT    4    5    5   18
CONECT    5    6   15
CONECT    6    7
CONECT    7    8    8   13
CONECT    8    9   19
CONECT    9   10   10   20
CONECT   10   11   12
CONECT   12   13   13   21
CONECT   13   14
CONECT   15   16   16   22
CONECT   16   23
END