@<TRIPOS>MOLECULE
REAL300019630992
  31   32    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             6.2338     8.7482     0.3375 C.3     
   2 O2             4.8242     8.5428     0.4511 O.3     
   3 C3             4.3761     7.2659     0.3373 C.ar    
   4 C4             5.2769     6.2332     0.1201 C.ar    
   5 C5             4.8273     4.9337     0.0094 C.ar    
   6 Br6            6.0588     3.5280    -0.2788 Br      
   7 C7             3.4605     4.6571     0.1051 C.ar    
   8 C8             2.9766     3.2690    -0.0180 C.2     
   9 O9             3.7300     2.3406     0.2035 O.2     
  10 N10            1.6994     3.0298    -0.3759 N.am    
  11 C11            0.8247     4.1418    -0.7559 C.3     
  12 C12            1.2089     1.7192    -0.3844 C.2     
  13 N13           -0.0169     1.3363    -0.7117 N.2     
  14 N14           -0.0695     0.0536    -0.5923 N.pl3   
  15 N15            1.0789    -0.3788    -0.2023 N.2     
  16 N16            1.8808     0.6218    -0.0673 N.2     
  17 C17            2.5536     5.6987     0.3236 C.ar    
  18 C18            3.0116     6.9960     0.4385 C.ar    
  19 O19            2.1317     8.0112     0.6510 O.3     
  20 C20            0.7491     7.6624     0.7448 C.3     
  21 H21            6.7469     8.1870     1.1184 H       
  22 H22            6.5734     8.4047    -0.6396 H       
  23 H23            6.4563     9.8096     0.4469 H       
  24 H24            6.3327     6.4465     0.0419 H       
  25 H25            0.2355     4.4520     0.1071 H       
  26 H26            1.4308     4.9791    -1.1020 H       
  27 H27            0.1568     3.8218    -1.5557 H       
  28 H28            1.4972     5.4887     0.4025 H       
  29 H29            0.4303     7.1880    -0.1833 H       
  30 H30            0.6043     6.9708     1.5747 H       
  31 H31            0.1580     8.5624     0.9145 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   21 1
   3    1   22 1
   4    1   23 1
   5    2    3 1
   6    3   18 ar
   7    3    4 ar
   8    4    5 ar
   9    4   24 1
  10    5    6 1
  11    5    7 ar
  12    7    8 1
  13    7   17 ar
  14    8    9 2
  15    8   10 am
  16   10   11 1
  17   10   12 1
  18   11   25 1
  19   11   26 1
  20   11   27 1
  21   12   16 1
  22   12   13 2
  23   13   14 1
  24   14   15 1
  25   15   16 2
  26   17   18 ar
  27   17   28 1
  28   18   19 1
  29   19   20 1
  30   20   29 1
  31   20   30 1
  32   20   31 1