@<TRIPOS>MOLECULE
REAL300018562203
  36   37    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             3.6694     2.2065    -0.0216 C.3     
   2 C2             2.3791     1.4281    -0.0130 C.ar    
   3 C3             1.1696     2.0990     0.0022 C.ar    
   4 Br4            1.1410     3.9897     0.0126 Br      
   5 C5            -0.0169     1.3928     0.0097 C.ar    
   6 C6             0.0021    -0.0041     0.0020 C.ar    
   7 C7            -1.2641    -0.7618     0.0105 C.2     
   8 O8            -2.3325    -0.1671     0.0243 O.co2   
   9 O9            -1.2450    -1.9845     0.0038 O.co2   
  10 C10            1.2235    -0.6807    -0.0133 C.ar    
  11 C11            2.4086     0.0382    -0.0207 C.ar    
  12 N12            3.6332    -0.6343    -0.0356 N.pl3   
  13 C13            3.6646    -2.0989    -0.0433 C.3     
  14 C14            5.0958    -2.5706    -0.0590 C.ar    
  15 C15            5.7374    -2.7858    -1.2659 C.ar    
  16 C16            7.0492    -3.2130    -1.2863 C.ar    
  17 C17            7.7246    -3.4385    -0.0880 C.ar    
  18 B18            9.2151    -3.9314    -0.1044 Du      
  19 O19            9.9006    -4.1608     1.1179 O.3     
  20 O20            9.8778    -4.1479    -1.3415 O.3     
  21 C21            7.0717    -3.2252     1.1250 C.ar    
  22 C22            5.7616    -2.7924     1.1335 C.ar    
  23 H23            3.9703     2.3997    -1.0513 H       
  24 H24            3.5260     3.1535     0.4987 H       
  25 H25            4.4453     1.6294     0.4814 H       
  26 H26           -0.9593     1.9202     0.0170 H       
  27 H27            1.2447    -1.7604    -0.0189 H       
  28 H28            4.4627    -0.1313    -0.0408 H       
  29 H29            3.1670    -2.4777     0.8495 H       
  30 H30            3.1504    -2.4687    -0.9303 H       
  31 H31            5.2117    -2.6151    -2.1938 H       
  32 H32            7.5502    -3.3770    -2.2288 H       
  33 H33           10.8127    -4.4622     1.0067 H       
  34 H34           10.7917    -4.4504    -1.2505 H       
  35 H35            7.5902    -3.3987     2.0563 H       
  36 H36            5.2548    -2.6268     2.0727 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   23 1
   3    1   24 1
   4    1   25 1
   5    2   11 ar
   6    2    3 ar
   7    3    4 1
   8    3    5 ar
   9    5    6 ar
  10    5   26 1
  11    6    7 1
  12    6   10 ar
  13    7    8 ar
  14    7    9 ar
  15   10   11 ar
  16   10   27 1
  17   11   12 1
  18   12   13 1
  19   12   28 1
  20   13   14 1
  21   13   29 1
  22   13   30 1
  23   14   22 ar
  24   14   15 ar
  25   15   16 ar
  26   15   31 1
  27   16   17 ar
  28   16   32 1
  29   17   18 1
  30   17   21 ar
  31   18   19 1
  32   18   20 1
  33   19   33 1
  34   20   34 1
  35   21   22 ar
  36   21   35 1
  37   22   36 1