@<TRIPOS>MOLECULE
REAL300018443956
  46   47    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1            -2.6718     0.6245     2.8483 O.co2   
   2 C2            -2.1911     1.3189     3.7277 C.2     
   3 O3            -2.9129     1.8135     4.5768 O.co2   
   4 C4            -0.7050     1.5658     3.7651 C.3     
   5 C5             0.0111     1.0724     2.5063 C.3     
   6 C6            -0.7288     1.5792     1.2668 C.3     
   7 C7            -0.0127     1.0858     0.0080 C.3     
   8 C8            -0.7527     1.5927    -1.2315 C.3     
   9 N9            -0.0651     1.1189    -2.4401 N.4     
  10 H10            0.8815     1.4682    -2.4473 H       
  11 H11           -0.0514     0.1100    -2.4457 H       
  12 C12           -0.7756     1.6055    -3.6302 C.3     
  13 C13           -0.0702     1.1195    -4.8701 C.ar    
  14 C14            0.9278     1.8889    -5.4417 C.ar    
  15 C15            1.5802     1.4465    -6.5741 C.ar    
  16 C16            1.2247     0.2273    -7.1487 C.ar    
  17 B17            1.9585    -0.2783    -8.4413 Du      
  18 O18            1.5939    -1.5204    -9.0248 O.3     
  19 O19            2.9868     0.5066    -9.0269 O.3     
  20 C20            0.2149    -0.5411    -6.5717 C.ar    
  21 C21           -0.4269    -0.0917    -5.4360 C.ar    
  22 C22           -0.3271     3.0015     4.1661 C.3     
  23 C23           -0.3362     2.5129     5.6242 C.3     
  24 C24           -0.0373     1.1087     5.0729 C.3     
  25 H25            0.0259    -0.0175     2.5003 H       
  26 H26            1.0337     1.4497     2.4986 H       
  27 H27           -0.7436     2.6691     1.2728 H       
  28 H28           -1.7514     1.2020     1.2746 H       
  29 H29            0.0021    -0.0041     0.0020 H       
  30 H30            1.0099     1.4631     0.0003 H       
  31 H31           -1.7753     1.2154    -1.2238 H       
  32 H32           -0.7675     2.6825    -1.2255 H       
  33 H33           -1.7982     1.2282    -3.6225 H       
  34 H34           -0.7904     2.6954    -3.6242 H       
  35 H35            1.1994     2.8354    -4.9982 H       
  36 H36            2.3617     2.0460    -7.0172 H       
  37 H37            2.1006    -1.7468    -9.8166 H       
  38 H38            3.3790     0.1136    -9.8186 H       
  39 H39           -0.0642    -1.4866    -7.0126 H       
  40 H40           -1.2094    -0.6863    -4.9882 H       
  41 H41            0.6581     3.3081     3.8145 H       
  42 H42           -1.1031     3.7348     3.9465 H       
  43 H43           -1.3106     2.5945     6.1059 H       
  44 H44            0.4710     2.9253     6.2294 H       
  45 H45           -0.5794     0.3140     5.5853 H       
  46 H46            1.0267     0.8964     4.9689 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   21 ar
  26   13   14 ar
  27   14   15 ar
  28   14   35 1
  29   15   16 ar
  30   15   36 1
  31   16   17 1
  32   16   20 ar
  33   17   18 1
  34   17   19 1
  35   18   37 1
  36   19   38 1
  37   20   21 ar
  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