@<TRIPOS>MOLECULE
REAL300019631092
  42   44    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1            -0.2996     5.1999     0.3980 C.3     
   2 C2            -0.2006     3.7020     0.2654 C.ar    
   3 C3             1.0388     3.0953     0.1896 C.ar    
   4 C4             1.1297     1.7211     0.0679 C.ar    
   5 C5             2.4815     1.0601    -0.0151 C.3     
   6 C6             3.3337     1.5121     1.1426 C.2     
   7 O7             4.3737     2.1007     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            3.6681     1.7692     3.4732 C.2     
  11 N11            4.7726     2.5092     3.4022 N.2     
  12 N12            5.1379     2.7779     4.6091 N.2     
  13 N13            4.3133     2.2310     5.4324 N.2     
  14 N14            3.4023     1.6063     4.7676 N.pl3   
  15 C15            3.1596     1.4494    -1.3302 C.3     
  16 C16            4.5320     0.7783    -1.4145 C.3     
  17 C17            4.3610    -0.7411    -1.3592 C.3     
  18 C18            3.6828    -1.1305    -0.0442 C.3     
  19 C19            2.3104    -0.4593     0.0402 C.3     
  20 C20           -0.0187     0.9533     0.0229 C.ar    
  21 C21           -1.2590     1.5597     0.0938 C.ar    
  22 C22           -1.3504     2.9340     0.2199 C.ar    
  23 Br23          -3.0466     3.7635     0.3234 Br      
  24 H24           -0.3423     5.6504    -0.5936 H       
  25 H25           -1.2020     5.4567     0.9529 H       
  26 H26            0.5738     5.5760     0.9307 H       
  27 H27            1.9364     3.6948     0.2251 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            2.5432     1.1225    -2.1676 H       
  32 H32            3.2815     2.5319    -1.3696 H       
  33 H33            5.1484     1.1052    -0.5771 H       
  34 H34            5.0152     1.0557    -2.3514 H       
  35 H35            5.3386    -1.2192    -1.4193 H       
  36 H36            3.7445    -1.0680    -2.1966 H       
  37 H37            4.2992    -0.8035     0.7932 H       
  38 H38            3.5609    -2.2129    -0.0048 H       
  39 H39            1.8273    -0.7367     0.9770 H       
  40 H40            1.6940    -0.7863    -0.7973 H       
  41 H41            0.0528    -0.1201    -0.0722 H       
  42 H42           -2.1564     0.9601     0.0544 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 2
  25   13   14 1
  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