@<TRIPOS>MOLECULE
REAL300013458620
  31   33    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1            -5.7841     2.1161    -2.3450 O.co2   
   2 C2            -5.4639     2.2487    -1.1761 C.2     
   3 O3            -5.9352     3.1577    -0.5142 O.co2   
   4 C4            -4.4857     1.2888    -0.5493 C.3     
   5 C5            -3.6396     1.9158     0.5714 C.3     
   6 C6            -2.4493     1.1198     0.0105 C.3     
   7 N7            -1.1907     1.8696     0.0086 N.am    
   8 C8            -0.0144     1.2116     0.0087 C.2     
   9 O9             0.0021    -0.0041     0.0105 O.2     
  10 N10            1.1435     1.9013     0.0014 N.am    
  11 C11            2.3568     1.2253     0.0912 C.ar    
  12 C12            2.5010     0.0148    -0.4927 C.ar    
  13 C13            3.7024    -0.7043    -0.4374 C.ar    
  14 C14            4.7909    -0.2463     0.2100 C.ar    
  15 C15            4.7569     1.0620     0.8935 C.ar    
  16 C16            3.4928     1.8317     0.8348 C.ar    
  17 N17            3.4804     3.0009     1.4527 N.2     
  18 Se18           5.0392     3.0443     2.0537 Du      
  19 N19            5.7596     1.6187     1.5617 N.2     
  20 C20           -3.1766     1.1336    -1.3444 C.3     
  21 H21           -4.9432     0.3392    -0.2717 H       
  22 H22           -3.9404     1.6046     1.5717 H       
  23 H23           -3.5247     2.9958     0.4795 H       
  24 H24           -2.3481     0.1239     0.4417 H       
  25 H25           -1.2039     2.8395     0.0072 H       
  26 H26            1.1313     2.8689    -0.0666 H       
  27 H27            1.6627    -0.4109    -1.0240 H       
  28 H28            3.7561    -1.6645    -0.9289 H       
  29 H29            5.6935    -0.8390     0.2291 H       
  30 H30           -2.9349     1.9993    -1.9609 H       
  31 H31           -3.1041     0.1918    -1.8884 H       
@<TRIPOS>BOND
   1    1    2 ar
   2    2    3 ar
   3    2    4 1
   4    4   20 1
   5    4    5 1
   6    4   21 1
   7    5    6 1
   8    5   22 1
   9    5   23 1
  10    6    7 1
  11    6   20 1
  12    6   24 1
  13    7    8 am
  14    7   25 1
  15    8    9 2
  16    8   10 am
  17   10   11 1
  18   10   26 1
  19   11   16 ar
  20   11   12 ar
  21   12   13 ar
  22   12   27 1
  23   13   14 ar
  24   13   28 1
  25   14   15 ar
  26   14   29 1
  27   15   19 1
  28   15   16 ar
  29   16   17 1
  30   17   18 2
  31   18   19 2
  32   20   30 1
  33   20   31 1