@<TRIPOS>MOLECULE
REAL300009850817
  46   48    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1             4.8467     1.4778     1.9572 O.co2   
   2 C2             4.6462     2.4156     1.1934 C.2     
   3 O3             5.5690     3.1598     0.8810 O.co2   
   4 C4             3.3552     2.6381     0.6749 C.2     
   5 C5             2.3320     1.8130     1.0213 C.2     
   6 C6             1.0355     2.0365     0.5005 C.2     
   7 C7            -0.0724     1.2835     0.7694 C.2     
   8 C8            -1.1416     1.8647     0.0458 C.2     
   9 C9            -2.5432     1.4054     0.0210 C.2     
  10 O10           -3.4490     2.2131     0.0966 O.2     
  11 N11           -2.8198     0.0907    -0.0855 N.am    
  12 C12           -1.7351    -0.8997    -0.1021 C.3     
  13 C13           -1.8604    -1.7542    -1.3636 C.3     
  14 C14           -3.2797    -2.3123    -1.4522 C.3     
  15 C15           -3.4592    -3.3556    -2.5623 C.3     
  16 C16           -3.0558    -4.4138    -1.5209 C.3     
  17 C17           -3.8753    -5.7029    -1.6082 C.3     
  18 B18           -3.2064    -6.6794    -2.6397 Du      
  19 O19           -2.0200    -6.2925    -3.3173 O.3     
  20 O20           -3.7878    -7.9495    -2.8949 O.3     
  21 C21           -3.5588    -3.4357    -0.4453 C.3     
  22 C22           -4.3502    -1.2226    -1.4604 C.3     
  23 C23           -4.2097    -0.3718    -0.1927 C.3     
  24 C24           -0.6143     2.9429    -0.6337 C.2     
  25 O25            0.6869     3.0284    -0.3449 O.3     
  26 H26            3.1786     3.4643     0.0021 H       
  27 H27            2.5086     0.9868     1.6941 H       
  28 H28           -0.1235     0.4170     1.4120 H       
  29 H29           -0.7729    -0.3877    -0.1035 H       
  30 H30           -1.8102    -1.5386     0.7778 H       
  31 H31           -1.1472    -2.5774    -1.3200 H       
  32 H32           -1.6554    -1.1389    -2.2396 H       
  33 H33           -4.4883    -3.4530    -2.9081 H       
  34 H34           -2.7449    -3.2519    -3.3791 H       
  35 H35           -1.9820    -4.5960    -1.4773 H       
  36 H36           -3.9104    -6.1782    -0.6279 H       
  37 H37           -4.8884    -5.4679    -1.9346 H       
  38 H38           -1.6830    -6.9588    -3.9318 H       
  39 H39           -3.3055    -8.4796    -3.5441 H       
  40 H40           -2.9247    -3.3961     0.4404 H       
  41 H41           -4.6155    -3.5552    -0.2058 H       
  42 H42           -5.3382    -1.6824    -1.4831 H       
  43 H43           -4.2207    -0.5911    -2.3394 H       
  44 H44           -4.4633    -0.9727     0.6806 H       
  45 H45           -4.8774     0.4878    -0.2511 H       
  46 H46           -1.1618     3.6080    -1.2851 H       
@<TRIPOS>BOND
   1    1    2 ar
   2    2    3 ar
   3    2    4 1
   4    4    5 2
   5    4   26 1
   6    5    6 1
   7    5   27 1
   8    6   25 1
   9    6    7 2
  10    7    8 1
  11    7   28 1
  12    8    9 1
  13    8   24 2
  14    9   10 2
  15    9   11 am
  16   11   23 1
  17   11   12 1
  18   12   13 1
  19   12   29 1
  20   12   30 1
  21   13   14 1
  22   13   31 1
  23   13   32 1
  24   14   21 1
  25   14   15 1
  26   14   22 1
  27   15   16 1
  28   15   33 1
  29   15   34 1
  30   16   17 1
  31   16   21 1
  32   16   35 1
  33   17   18 1
  34   17   36 1
  35   17   37 1
  36   18   19 1
  37   18   20 1
  38   19   38 1
  39   20   39 1
  40   21   40 1
  41   21   41 1
  42   22   23 1
  43   22   42 1
  44   22   43 1
  45   23   44 1
  46   23   45 1
  47   24   25 1
  48   24   46 1