@<TRIPOS>MOLECULE
REAL300019631195
  27   28    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             4.9422    -0.2739     0.5077 C.3     
   2 N2             4.1691     0.2705     1.6267 N.am    
   3 C3             3.0002     0.9000     1.3950 C.2     
   4 O4             2.3602     1.3507     2.3213 O.2     
   5 C5             2.4884     1.0440    -0.0151 C.3     
   6 C6             1.1734     1.7800     0.0004 C.ar    
   7 C7            -0.0126     1.0758     0.0080 C.ar    
   8 C8            -1.2211     1.7496     0.0173 C.ar    
   9 C9            -1.2489     3.1335     0.0299 C.ar    
  10 Br10          -2.9063     4.0439     0.0500 Br      
  11 C11           -0.0691     3.8505     0.0225 C.ar    
  12 C12            1.1532     3.1764     0.0076 C.ar    
  13 C13            2.3810     3.9134     0.0003 C.1     
  14 N14            3.3549     4.4981    -0.0054 N.1     
  15 C15            4.6401     0.1380     2.9245 C.2     
  16 N16            4.0535     0.5840     4.0334 N.2     
  17 N17            4.8061     0.2585     5.0283 N.2     
  18 N18            5.8426    -0.3653     4.5884 N.2     
  19 N19            5.7701    -0.4549     3.3044 N.pl3   
  20 H20            5.6332     0.4848     0.1403 H       
  21 H21            5.5045    -1.1449     0.8443 H       
  22 H22            4.2642    -0.5667    -0.2940 H       
  23 H23            2.3466     0.0559    -0.4528 H       
  24 H24            3.2112     1.6039    -0.6085 H       
  25 H25            0.0021    -0.0041     0.0020 H       
  26 H26           -2.1467     1.1932     0.0187 H       
  27 H27           -0.0918     4.9303     0.0285 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   20 1
   3    1   21 1
   4    1   22 1
   5    2    3 am
   6    2   15 1
   7    3    4 2
   8    3    5 1
   9    5    6 1
  10    5   23 1
  11    5   24 1
  12    6   12 ar
  13    6    7 ar
  14    7    8 ar
  15    7   25 1
  16    8    9 ar
  17    8   26 1
  18    9   10 1
  19    9   11 ar
  20   11   12 ar
  21   11   27 1
  22   12   13 1
  23   13   14 3
  24   15   19 1
  25   15   16 2
  26   16   17 1
  27   17   18 2
  28   18   19 1