@<TRIPOS>MOLECULE
REAL300009850743
  38   39    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1             2.4319     4.5432     1.7880 O.co2   
   2 C2             2.3954     3.6460     2.6128 C.2     
   3 O3             3.1258     3.6847     3.5884 O.co2   
   4 C4             1.4476     2.4893     2.4265 C.3     
   5 N5             0.6867     2.6760     1.1887 N.am    
   6 C6             1.1714     2.1766     0.0268 C.2     
   7 C7             0.4960     2.3288    -1.1409 C.2     
   8 C8            -0.7212     3.0095    -1.1621 C.2     
   9 C9            -1.2261     3.5261     0.0294 C.2     
  10 C10           -2.5064     4.2497     0.0483 C.2     
  11 O11           -2.5186     5.4620     0.1491 O.2     
  12 N12           -3.6663     3.5697    -0.0460 N.am    
  13 C13           -3.8017     2.1060    -0.0713 C.3     
  14 C14           -5.3049     1.7872    -0.2127 C.3     
  15 C15           -5.8767     3.0880    -0.8360 C.3     
  16 C16           -7.3548     3.2631    -0.4818 C.3     
  17 B17           -7.8860     4.6045    -1.1010 Du      
  18 O18           -9.2485     4.7191    -1.4841 O.3     
  19 O19           -7.0039     5.7031    -1.2780 O.3     
  20 C20           -5.0087     4.1705    -0.1472 C.3     
  21 C21           -0.4861     3.3366     1.2252 C.2     
  22 O22           -0.9087     3.7741     2.2814 O.2     
  23 H23            0.7608     2.4426     3.2717 H       
  24 H24            2.0150     1.5605     2.3677 H       
  25 H25            2.1127     1.6470     0.0294 H       
  26 H26            0.9021     1.9223    -2.0554 H       
  27 H27           -1.2636     3.1346    -2.0876 H       
  28 H28           -3.2528     1.6975    -0.9198 H       
  29 H29           -3.4207     1.6823     0.8579 H       
  30 H30           -5.7556     1.5958     0.7612 H       
  31 H31           -5.4559     0.9402    -0.8819 H       
  32 H32           -5.7319     3.1001    -1.9162 H       
  33 H33           -7.9263     2.4262    -0.8833 H       
  34 H34           -7.4676     3.2934     0.6019 H       
  35 H35           -9.4817     5.5812    -1.8549 H       
  36 H36           -7.4215     6.4843    -1.6657 H       
  37 H37           -5.3995     4.3954     0.8451 H       
  38 H38           -4.9751     5.0739    -0.7563 H       
@<TRIPOS>BOND
   1    1    2 ar
   2    2    3 ar
   3    2    4 1
   4    4    5 1
   5    4   23 1
   6    4   24 1
   7    5   21 am
   8    5    6 1
   9    6    7 2
  10    6   25 1
  11    7    8 1
  12    7   26 1
  13    8    9 2
  14    8   27 1
  15    9   10 1
  16    9   21 1
  17   10   11 2
  18   10   12 am
  19   12   20 1
  20   12   13 1
  21   13   14 1
  22   13   28 1
  23   13   29 1
  24   14   15 1
  25   14   30 1
  26   14   31 1
  27   15   16 1
  28   15   20 1
  29   15   32 1
  30   16   17 1
  31   16   33 1
  32   16   34 1
  33   17   18 1
  34   17   19 1
  35   18   35 1
  36   19   36 1
  37   20   37 1
  38   20   38 1
  39   21   22 2