@<TRIPOS>MOLECULE
REAL300019630992
  31   32    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             6.2589     8.7191     0.3371 C.3     
   2 O2             4.8486     8.5183     0.4509 O.3     
   3 C3             4.3964     7.2429     0.3370 C.ar    
   4 C4             5.2938     6.2072     0.1198 C.ar    
   5 C5             4.8401     4.9092     0.0092 C.ar    
   6 Br6            6.0671     3.4995    -0.2786 Br      
   7 C7             3.4723     4.6370     0.1049 C.ar    
   8 C8             2.9840     3.2507    -0.0181 C.2     
   9 O9             3.7343     2.3200     0.2033 O.2     
  10 N10            1.7060     3.0157    -0.3760 N.am    
  11 C11            0.8349     4.1305    -0.7562 C.3     
  12 C12            1.2160     1.7194    -0.3844 C.2     
  13 N13           -0.0163     1.3363    -0.7128 N.2     
  14 N14           -0.0691     0.0538    -0.5921 N.2     
  15 N15            1.0775    -0.3821    -0.2022 N.2     
  16 N16            1.8856     0.6132    -0.0660 N.pl3   
  17 C17            2.5688     5.6816     0.3234 C.ar    
  18 C18            3.0309     6.9774     0.4383 C.ar    
  19 O19            2.1544     7.9954     0.6509 O.3     
  20 C20            0.7706     7.6512     0.7447 C.3     
  21 H21            6.7702     8.1562     1.1181 H       
  22 H22            6.5973     8.3744    -0.6400 H       
  23 H23            6.4848     9.7798     0.4466 H       
  24 H24            6.3503     6.4172     0.0412 H       
  25 H25            0.2468     4.4427     0.1067 H       
  26 H26            1.4438     4.9657    -1.1023 H       
  27 H27            0.1661     3.8126    -1.5560 H       
  28 H28            1.5116     5.4751     0.4024 H       
  29 H29            0.4502     7.1778    -0.1834 H       
  30 H30            0.6236     6.9601     1.5747 H       
  31 H31            0.1825     8.5531     0.9144 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   21 1
   3    1   22 1
   4    1   23 1
   5    2    3 1
   6    3   18 ar
   7    3    4 ar
   8    4    5 ar
   9    4   24 1
  10    5    6 1
  11    5    7 ar
  12    7    8 1
  13    7   17 ar
  14    8    9 2
  15    8   10 am
  16   10   11 1
  17   10   12 1
  18   11   25 1
  19   11   26 1
  20   11   27 1
  21   12   16 1
  22   12   13 2
  23   13   14 1
  24   14   15 2
  25   15   16 1
  26   17   18 ar
  27   17   28 1
  28   18   19 1
  29   19   20 1
  30   20   29 1
  31   20   30 1
  32   20   31 1