@<TRIPOS>MOLECULE
REAL300019631092
  42   44    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1            -0.2996     5.1997     0.3976 C.3     
   2 C2            -0.2006     3.7018     0.2651 C.ar    
   3 C3             1.0388     3.0952     0.1894 C.ar    
   4 C4             1.1298     1.7209     0.0678 C.ar    
   5 C5             2.4815     1.0599    -0.0151 C.3     
   6 C6             3.3337     1.5120     1.1426 C.2     
   7 O7             4.3739     2.1008     0.9365 O.2     
   8 N8             2.9400     1.2622     2.4072 N.am    
   9 C9             1.7430     0.4549     2.6557 C.3     
  10 C10            3.6750     1.7741     3.4833 C.2     
  11 N11            4.7742     2.5105     3.4103 N.2     
  12 N12            5.1419     2.7825     4.6158 N.pl3   
  13 N13            4.3173     2.2350     5.4394 N.2     
  14 N14            3.4085     1.6107     4.7711 N.2     
  15 C15            3.1598     1.4492    -1.3302 C.3     
  16 C16            4.5322     0.7781    -1.4144 C.3     
  17 C17            4.3611    -0.7413    -1.3590 C.3     
  18 C18            3.6829    -1.1306    -0.0440 C.3     
  19 C19            2.3105    -0.4595     0.0402 C.3     
  20 C20           -0.0187     0.9532     0.0228 C.ar    
  21 C21           -1.2589     1.5595     0.0936 C.ar    
  22 C22           -1.3504     2.9338     0.2196 C.ar    
  23 Br23          -3.0466     3.7633     0.3230 Br      
  24 H24           -0.3423     5.6502    -0.5940 H       
  25 H25           -1.2020     5.4565     0.9525 H       
  26 H26            0.5738     5.5759     0.9303 H       
  27 H27            1.9364     3.6947     0.2249 H       
  28 H28            2.0090    -0.6021     2.6456 H       
  29 H29            1.3247     0.7150     3.6280 H       
  30 H30            1.0046     0.6512     1.8783 H       
  31 H31            2.5434     1.1222    -2.1676 H       
  32 H32            3.2816     2.5317    -1.3696 H       
  33 H33            5.1485     1.1051    -0.5770 H       
  34 H34            5.0153     1.0555    -2.3513 H       
  35 H35            5.3388    -1.2194    -1.4191 H       
  36 H36            3.7448    -1.0683    -2.1965 H       
  37 H37            4.2993    -0.8036     0.7934 H       
  38 H38            3.5611    -2.2130    -0.0046 H       
  39 H39            1.8273    -0.7368     0.9771 H       
  40 H40            1.6941    -0.7865    -0.7972 H       
  41 H41            0.0529    -0.1203    -0.0722 H       
  42 H42           -2.1563     0.9599     0.0542 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   24 1
   3    1   25 1
   4    1   26 1
   5    2   22 ar
   6    2    3 ar
   7    3    4 ar
   8    3   27 1
   9    4    5 1
  10    4   20 ar
  11    5   19 1
  12    5    6 1
  13    5   15 1
  14    6    7 2
  15    6    8 am
  16    8    9 1
  17    8   10 1
  18    9   28 1
  19    9   29 1
  20    9   30 1
  21   10   14 1
  22   10   11 2
  23   11   12 1
  24   12   13 1
  25   13   14 2
  26   15   16 1
  27   15   31 1
  28   15   32 1
  29   16   17 1
  30   16   33 1
  31   16   34 1
  32   17   18 1
  33   17   35 1
  34   17   36 1
  35   18   19 1
  36   18   37 1
  37   18   38 1
  38   19   39 1
  39   19   40 1
  40   20   21 ar
  41   20   41 1
  42   21   22 ar
  43   21   42 1
  44   22   23 1