@<TRIPOS>MOLECULE
REAL300009850723
  47   48    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             2.3621     2.3093     0.8419 C.3     
   2 C2             1.0540     3.0025     1.2281 C.3     
   3 C3             0.9987     4.5069     0.9546 C.3     
   4 C4            -0.2424     2.2066     1.0646 C.3     
   5 C5            -1.4950     2.9760     0.6405 C.3     
   6 C6            -0.1314     0.7783     0.5273 C.3     
   7 C7             0.3157     2.4808     2.4625 C.3     
   8 C8             0.9326     1.3235     3.2048 C.2     
   9 O9             2.0867     1.3932     3.5920 O.co2   
  10 O10            0.2777     0.3175     3.4182 O.co2   
  11 C11           -0.4104     3.4881     3.3164 C.2     
  12 O12           -1.6180     3.4389     3.4177 O.2     
  13 N13            0.2820     4.4437     3.9674 N.am    
  14 C14            1.7358     4.5475     3.7336 C.3     
  15 C15            2.5169     4.7947     5.0369 C.3     
  16 C16            1.9421     3.9573     6.1526 C.3     
  17 C17            0.8799     4.7632     6.8941 C.3     
  18 B18            0.7815     4.2238     8.3652 Du      
  19 O19            0.4067     5.0989     9.4188 O.3     
  20 O20            1.0674     2.8607     8.6422 O.3     
  21 C21           -0.4581     4.7068     6.2855 C.3     
  22 C22           -0.4307     5.3286     4.8614 C.3     
  23 H23            2.3793     2.1396    -0.2347 H       
  24 H24            2.4342     1.3538     1.3615 H       
  25 H25            3.2048     2.9406     1.1237 H       
  26 H26            0.9830     4.6802    -0.1214 H       
  27 H27            0.0974     4.9248     1.4032 H       
  28 H28            1.8762     4.9874     1.3873 H       
  29 H29           -1.3220     3.4468    -0.3272 H       
  30 H30           -2.3362     2.2870     0.5642 H       
  31 H31           -1.7192     3.7424     1.3825 H       
  32 H32            0.5827     0.2177     1.1305 H       
  33 H33           -1.1071     0.2949     0.5764 H       
  34 H34            0.2092     0.8050    -0.5078 H       
  35 H35            2.0883     3.6211     3.2800 H       
  36 H36            1.9258     5.3722     3.0467 H       
  37 H37            3.5632     4.5285     4.8873 H       
  38 H38            2.4489     5.8492     5.3045 H       
  39 H39            1.4905     3.0569     5.7360 H       
  40 H40            2.7367     3.6791     6.8450 H       
  41 H41            1.1979     5.8052     6.9293 H       
  42 H42            0.3736     4.6765    10.2880 H       
  43 H43            0.9800     2.6223     9.5753 H       
  44 H44           -0.7812     3.6678     6.2203 H       
  45 H45           -1.1601     5.2647     6.9052 H       
  46 H46            0.0745     6.2939     4.8956 H       
  47 H47           -1.4500     5.4654     4.5004 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   23 1
   3    1   24 1
   4    1   25 1
   5    2    7 1
   6    2    3 1
   7    2    4 1
   8    3   26 1
   9    3   27 1
  10    3   28 1
  11    4    5 1
  12    4    6 1
  13    4    7 1
  14    5   29 1
  15    5   30 1
  16    5   31 1
  17    6   32 1
  18    6   33 1
  19    6   34 1
  20    7    8 1
  21    7   11 1
  22    8    9 ar
  23    8   10 ar
  24   11   12 2
  25   11   13 am
  26   13   22 1
  27   13   14 1
  28   14   15 1
  29   14   35 1
  30   14   36 1
  31   15   16 1
  32   15   37 1
  33   15   38 1
  34   16   17 1
  35   16   39 1
  36   16   40 1
  37   17   18 1
  38   17   21 1
  39   17   41 1
  40   18   19 1
  41   18   20 1
  42   19   42 1
  43   20   43 1
  44   21   22 1
  45   21   44 1
  46   21   45 1
  47   22   46 1
  48   22   47 1