COMPND    HMDB0015289
HETATM    1  C1  UNL     1      -3.361   0.122   0.293  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.172  -0.794   0.088  1.00  0.00           C  
HETATM    3  N1  UNL     1      -0.974  -0.087  -0.222  1.00  0.00           N1+
HETATM    4  C3  UNL     1      -0.260  -0.795  -1.262  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.360   1.180  -0.935  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.153   0.330   0.899  1.00  0.00           C  
HETATM    7  C6  UNL     1       1.281   0.101   0.472  1.00  0.00           C  
HETATM    8  C7  UNL     1       1.742  -1.174   0.306  1.00  0.00           C  
HETATM    9  C8  UNL     1       3.018  -1.341  -0.238  1.00  0.00           C  
HETATM   10  C9  UNL     1       3.745  -0.194  -0.579  1.00  0.00           C  
HETATM   11  C10 UNL     1       3.245   1.072  -0.389  1.00  0.00           C  
HETATM   12  C11 UNL     1       1.961   1.221   0.161  1.00  0.00           C  
HETATM   13 BR1  UNL     1       1.287   2.977   0.553  1.00  0.00          BR  
HETATM   14  H1  UNL     1      -3.256   0.680   1.233  1.00  0.00           H  
HETATM   15  H2  UNL     1      -3.575   0.758  -0.584  1.00  0.00           H  
HETATM   16  H3  UNL     1      -4.230  -0.548   0.425  1.00  0.00           H  
HETATM   17  H4  UNL     1      -2.483  -1.438  -0.804  1.00  0.00           H  
HETATM   18  H5  UNL     1      -2.106  -1.470   0.929  1.00  0.00           H  
HETATM   19  H6  UNL     1       0.656  -0.298  -1.614  1.00  0.00           H  
HETATM   20  H7  UNL     1      -0.982  -0.739  -2.153  1.00  0.00           H  
HETATM   21  H8  UNL     1      -0.168  -1.873  -1.063  1.00  0.00           H  
HETATM   22  H9  UNL     1      -1.860   1.848  -0.236  1.00  0.00           H  
HETATM   23  H10 UNL     1      -1.972   0.852  -1.790  1.00  0.00           H  
HETATM   24  H11 UNL     1      -0.419   1.540  -1.381  1.00  0.00           H  
HETATM   25  H12 UNL     1      -0.377   1.302   1.270  1.00  0.00           H  
HETATM   26  H13 UNL     1      -0.318  -0.460   1.690  1.00  0.00           H  
HETATM   27  H14 UNL     1       1.181  -2.062   0.660  1.00  0.00           H  
HETATM   28  H15 UNL     1       3.431  -2.322  -0.371  1.00  0.00           H  
HETATM   29  H16 UNL     1       4.720  -0.359  -1.046  1.00  0.00           H  
HETATM   30  H17 UNL     1       3.760   1.970  -0.694  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3   17   18
CONECT    3    4    5    6
CONECT    4   19   20   21
CONECT    5   22   23   24
CONECT    6    7   25   26
CONECT    7    8    8   12
CONECT    8    9   27
CONECT    9   10   10   28
CONECT   10   11   29
CONECT   11   12   12   30
CONECT   12   13
END