@<TRIPOS>MOLECULE
REAL300019630911
  31   32    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             4.7759     1.0544    -0.3652 C.3     
   2 O2             4.5426     2.4618    -0.4491 O.3     
   3 C3             3.2483     2.8768    -0.4042 C.ar    
   4 C4             2.2302     1.9515    -0.2825 C.ar    
   5 C5             0.9009     2.3811    -0.2361 C.ar    
   6 C6            -0.1904     1.3961    -0.1066 C.2     
   7 O7            -0.1325     0.3417    -0.7093 O.2     
   8 N8            -1.2540     1.6677     0.6755 N.am    
   9 C9            -1.3757     2.9792     1.3169 C.3     
  10 C10           -2.2421     0.6969     0.8747 C.2     
  11 N11           -2.2672    -0.5229     0.3573 N.2     
  12 N12           -3.3365    -1.1045     0.7825 N.pl3   
  13 N13           -3.9849    -0.2892     1.5393 N.2     
  14 N14           -3.3358     0.8224     1.6126 N.2     
  15 C15            0.6074     3.7442    -0.3184 C.ar    
  16 C16            1.6287     4.6635    -0.4346 C.ar    
  17 Br17           1.2298     6.5090    -0.5387 Br      
  18 C18            2.9493     4.2363    -0.4806 C.ar    
  19 O19            3.9516     5.1450    -0.5999 O.3     
  20 C20            4.3585     5.4919    -1.9251 C.3     
  21 H21            5.8474     0.8603    -0.4127 H       
  22 H22            4.3795     0.6760     0.5770 H       
  23 H23            4.2787     0.5536    -1.1959 H       
  24 H24            2.4608     0.8980    -0.2228 H       
  25 H25           -1.8552     3.6765     0.6300 H       
  26 H26           -1.9781     2.8872     2.2206 H       
  27 H27           -0.3842     3.3497     1.5773 H       
  28 H28           -0.4192     4.0784    -0.2873 H       
  29 H29            4.7093     4.5992    -2.4429 H       
  30 H30            3.5125     5.9165    -2.4655 H       
  31 H31            5.1641     6.2247    -1.8777 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   15 ar
  12    6    7 2
  13    6    8 am
  14    8    9 1
  15    8   10 1
  16    9   25 1
  17    9   26 1
  18    9   27 1
  19   10   14 1
  20   10   11 2
  21   11   12 1
  22   12   13 1
  23   13   14 2
  24   15   16 ar
  25   15   28 1
  26   16   17 1
  27   16   18 ar
  28   18   19 1
  29   19   20 1
  30   20   29 1
  31   20   30 1
  32   20   31 1