@<TRIPOS>MOLECULE
REAL300019631174
  27   28    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1            -2.0247     5.5933     1.1721 C.3     
   2 S2            -2.6203     3.9166     0.8193 S.3     
   3 C3            -1.1429     3.0498     0.4061 C.ar    
   4 C4             0.0801     3.7093     0.4171 C.ar    
   5 C5             1.2361     3.0276     0.0929 C.ar    
   6 Br6            2.8967     3.9321     0.1107 Br      
   7 C7             1.1872     1.6832    -0.2454 C.ar    
   8 C8            -0.0159     1.0129    -0.2622 C.ar    
   9 C9            -1.1959     1.6897     0.0578 C.ar    
  10 C10           -2.4867     0.9801     0.0353 C.2     
  11 O11           -3.2380     1.0541     0.9888 O.2     
  12 N12           -2.8350     0.2488    -1.0419 N.am    
  13 C13           -1.8899     0.0781    -2.1482 C.3     
  14 C14           -4.0996    -0.3474    -1.1037 C.2     
  15 N15           -5.0491    -0.2841    -0.1813 N.2     
  16 N16           -6.0585    -0.9596    -0.6141 N.pl3   
  17 N17           -5.7712    -1.4491    -1.7698 N.2     
  18 N18           -4.5762    -1.0890    -2.0933 N.2     
  19 H19           -1.5349     5.9986     0.2867 H       
  20 H20           -2.8677     6.2286     1.4439 H       
  21 H21           -1.3137     5.5601     1.9976 H       
  22 H22            0.1264     4.7559     0.6797 H       
  23 H23            2.0974     1.1593    -0.4974 H       
  24 H24           -0.0478    -0.0338    -0.5266 H       
  25 H25           -1.3188    -0.8384    -2.0000 H       
  26 H26           -2.4381     0.0166    -3.0882 H       
  27 H27           -1.2095     0.9292    -2.1793 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   19 1
   3    1   20 1
   4    1   21 1
   5    2    3 1
   6    3    9 ar
   7    3    4 ar
   8    4    5 ar
   9    4   22 1
  10    5    6 1
  11    5    7 ar
  12    7    8 ar
  13    7   23 1
  14    8    9 ar
  15    8   24 1
  16    9   10 1
  17   10   11 2
  18   10   12 am
  19   12   13 1
  20   12   14 1
  21   13   25 1
  22   13   26 1
  23   13   27 1
  24   14   18 1
  25   14   15 2
  26   15   16 1
  27   16   17 1
  28   17   18 2