@<TRIPOS>MOLECULE
REAL300018443955
  46   47    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1            -2.6183     0.5104     5.2960 O.co2   
   2 C2            -2.1376     1.2048     6.1754 C.2     
   3 O3            -2.8594     1.6994     7.0245 O.co2   
   4 C4            -0.6515     1.4517     6.2128 C.3     
   5 C5             0.0647     0.9583     4.9540 C.3     
   6 C6            -0.6753     1.4652     3.7145 C.3     
   7 C7             0.0408     0.9717     2.4557 C.3     
   8 C8            -0.6992     1.4786     1.2162 C.3     
   9 N9            -0.0116     1.0048     0.0076 N.4     
  10 H10            0.0021    -0.0041     0.0020 H       
  11 H11            0.9350     1.3541     0.0004 H       
  12 C12           -0.7221     1.4915    -1.1825 C.3     
  13 C13           -0.0167     1.0055    -2.4224 C.ar    
  14 C14            0.8318     1.8483    -3.1100 C.ar    
  15 C15            1.4809     1.4030    -4.2482 C.ar    
  16 C16            1.2824     0.1117    -4.7035 C.ar    
  17 C17            0.4355    -0.7397    -4.0238 C.ar    
  18 C18           -0.2160    -0.2985    -2.8735 C.ar    
  19 B19           -1.1758    -1.2644    -2.0920 Du      
  20 O20           -1.8428    -0.8104    -0.9236 O.3     
  21 O21           -1.3770    -2.5921    -2.5538 O.3     
  22 C22           -0.2736     2.8875     6.6138 C.3     
  23 C23           -0.2827     2.3988     8.0719 C.3     
  24 C24            0.0162     0.9947     7.5206 C.3     
  25 H25            0.0794    -0.1316     4.9480 H       
  26 H26            1.0873     1.3356     4.9463 H       
  27 H27           -0.6901     2.5550     3.7205 H       
  28 H28           -1.6979     1.0879     3.7222 H       
  29 H29            0.0556    -0.1181     2.4497 H       
  30 H30            1.0634     1.3490     2.4480 H       
  31 H31           -0.7140     2.5685     1.2222 H       
  32 H32           -1.7218     1.1013     1.2239 H       
  33 H33           -1.7447     1.1142    -1.1748 H       
  34 H34           -0.7369     2.5813    -1.1765 H       
  35 H35            0.9901     2.8574    -2.7591 H       
  36 H36            2.1447     2.0660    -4.7832 H       
  37 H37            1.7910    -0.2304    -5.5928 H       
  38 H38            0.2815    -1.7476    -4.3799 H       
  39 H39           -2.4116    -1.4753    -0.5119 H       
  40 H40           -1.9840    -3.1106    -2.0081 H       
  41 H41            0.7116     3.1940     6.2622 H       
  42 H42           -1.0496     3.6207     6.3942 H       
  43 H43           -1.2571     2.4804     8.5536 H       
  44 H44            0.5246     2.8112     8.6771 H       
  45 H45           -0.5259     0.1999     8.0330 H       
  46 H46            1.0802     0.7824     7.4166 H       
@<TRIPOS>BOND
   1    1    2 ar
   2    2    3 ar
   3    2    4 1
   4    4   24 1
   5    4    5 1
   6    4   22 1
   7    5    6 1
   8    5   25 1
   9    5   26 1
  10    6    7 1
  11    6   27 1
  12    6   28 1
  13    7    8 1
  14    7   29 1
  15    7   30 1
  16    8    9 1
  17    8   31 1
  18    8   32 1
  19    9   10 1
  20    9   11 1
  21    9   12 1
  22   12   13 1
  23   12   33 1
  24   12   34 1
  25   13   18 ar
  26   13   14 ar
  27   14   15 ar
  28   14   35 1
  29   15   16 ar
  30   15   36 1
  31   16   17 ar
  32   16   37 1
  33   17   18 ar
  34   17   38 1
  35   18   19 1
  36   19   20 1
  37   19   21 1
  38   20   39 1
  39   21   40 1
  40   22   23 1
  41   22   41 1
  42   22   42 1
  43   23   24 1
  44   23   43 1
  45   23   44 1
  46   24   45 1
  47   24   46 1