@<TRIPOS>MOLECULE
REAL300019630890
  29   31    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             3.3935     3.0740     2.3962 C.3     
   2 N2             2.9747     2.5168     1.1077 N.am    
   3 C3             3.1946     3.2074    -0.0286 C.2     
   4 O4             2.7678     2.7881    -1.0872 O.2     
   5 C5             3.9527     4.4710     0.0119 C.ar    
   6 C6             3.2941     5.6901     0.1028 C.ar    
   7 C7             4.0106     6.8789     0.1417 C.ar    
   8 C8             5.3705     6.8995     0.0925 C.ar    
   9 C9             6.1024     5.7034     0.0002 C.ar    
  10 C10            7.5067     5.7081    -0.0506 C.ar    
  11 C11            8.1821     4.5278    -0.1251 C.ar    
  12 C12            7.5022     3.3135    -0.1661 C.ar    
  13 C13            6.1392     3.2720    -0.1231 C.ar    
  14 Br14           5.2357     1.6118    -0.1806 Br      
  15 C15            5.4132     4.4666    -0.0367 C.ar    
  16 C16            2.3524     1.2797     1.0572 C.2     
  17 N17            2.0706     0.4876     2.0899 N.2     
  18 N18            1.4934    -0.5668     1.6239 N.2     
  19 N19            1.4020    -0.4686     0.3438 N.2     
  20 N20            1.9189     0.6506    -0.0335 N.pl3   
  21 H21            4.4416     2.8324     2.5732 H       
  22 H22            3.2676     4.1566     2.3821 H       
  23 H23            2.7830     2.6476     3.1922 H       
  24 H24            2.2151     5.7139     0.1440 H       
  25 H25            3.4737     7.8134     0.2126 H       
  26 H26            5.8923     7.8445     0.1252 H       
  27 H27            8.0479     6.6422    -0.0193 H       
  28 H28            9.2615     4.5342    -0.1602 H       
  29 H29            8.0613     2.3920    -0.2331 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   21 1
   3    1   22 1
   4    1   23 1
   5    2    3 am
   6    2   16 1
   7    3    4 2
   8    3    5 1
   9    5   15 ar
  10    5    6 ar
  11    6    7 ar
  12    6   24 1
  13    7    8 ar
  14    7   25 1
  15    8    9 ar
  16    8   26 1
  17    9   15 ar
  18    9   10 ar
  19   10   11 ar
  20   10   27 1
  21   11   12 ar
  22   11   28 1
  23   12   13 ar
  24   12   29 1
  25   13   14 1
  26   13   15 ar
  27   16   20 1
  28   16   17 2
  29   17   18 1
  30   18   19 2
  31   19   20 1