@<TRIPOS>MOLECULE
REAL300009850835
  38   39    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1            -4.4443     4.7925     3.4111 O.co2   
   2 C2            -5.0236     3.8950     3.9987 C.2     
   3 O3            -6.2424     3.8645     4.0154 O.co2   
   4 C4            -4.2334     2.8233     4.7045 C.3     
   5 N5            -2.8012     3.0831     4.5379 N.am    
   6 C6            -2.1524     3.8485     5.4481 C.2     
   7 C7            -0.8253     4.1115     5.3286 C.2     
   8 Br8            0.0444     5.1840     6.6206 Br      
   9 C9            -0.1024     3.5914     4.2545 C.2     
  10 C10           -0.7639     2.8037     3.3145 C.2     
  11 C11           -0.0369     2.2377     2.1680 C.2     
  12 O12            1.0305     1.6800     2.3399 O.2     
  13 N13           -0.5532     2.3369     0.9271 N.am    
  14 C14            0.2108     1.8771    -0.2406 C.3     
  15 C15            0.2925     3.0175    -1.2603 C.3     
  16 C16           -1.1206     3.5043    -1.5894 C.3     
  17 C17           -1.7865     4.0388    -0.3194 C.3     
  18 B18           -3.2235     4.5689    -0.6646 Du      
  19 O19           -4.2527     4.5180     0.3125 O.3     
  20 O20           -3.4939     5.0992    -1.9538 O.3     
  21 C21           -1.8918     2.9100     0.7109 C.3     
  22 C22           -2.1522     2.5620     3.4794 C.2     
  23 O23           -2.7545     1.8804     2.6681 O.2     
  24 H24           -4.4783     1.8507     4.2776 H       
  25 H25           -4.4824     2.8276     5.7656 H       
  26 H26           -2.7005     4.2567     6.2843 H       
  27 H27            0.9531     3.7964     4.1531 H       
  28 H28           -0.2899     1.0198    -0.6905 H       
  29 H29            1.2160     1.5917     0.0697 H       
  30 H30            0.8721     3.8398    -0.8408 H       
  31 H31            0.7747     2.6586    -2.1696 H       
  32 H32           -1.0667     4.2992    -2.3333 H       
  33 H33           -1.7071     2.6755    -1.9858 H       
  34 H34           -1.1876     4.8518     0.0909 H       
  35 H35           -5.1017     4.8666     0.0079 H       
  36 H36           -4.4053     5.4001    -2.0720 H       
  37 H37           -2.2741     3.3078     1.6510 H       
  38 H38           -2.5660     2.1381     0.3397 H       
@<TRIPOS>BOND
   1    1    2 ar
   2    2    3 ar
   3    2    4 1
   4    4    5 1
   5    4   24 1
   6    4   25 1
   7    5   22 am
   8    5    6 1
   9    6    7 2
  10    6   26 1
  11    7    8 1
  12    7    9 1
  13    9   10 2
  14    9   27 1
  15   10   11 1
  16   10   22 1
  17   11   12 2
  18   11   13 am
  19   13   21 1
  20   13   14 1
  21   14   15 1
  22   14   28 1
  23   14   29 1
  24   15   16 1
  25   15   30 1
  26   15   31 1
  27   16   17 1
  28   16   32 1
  29   16   33 1
  30   17   18 1
  31   17   21 1
  32   17   34 1
  33   18   19 1
  34   18   20 1
  35   19   35 1
  36   20   36 1
  37   21   37 1
  38   21   38 1
  39   22   23 2