@<TRIPOS>MOLECULE
REAL300019631030
  47   48    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1            -7.1681     2.2832    -0.2704 C.3     
   2 O2            -5.8384     1.9360    -0.6621 O.3     
   3 C3            -4.8294     2.7825    -0.1077 C.3     
   4 C4            -3.4535     2.3206    -0.5918 C.3     
   5 C5            -3.2816     2.5954    -2.0635 C.2     
   6 O6            -3.1460     1.6744    -2.8406 O.2     
   7 N7            -3.2785     3.8650    -2.5161 N.am    
   8 C8            -3.3202     4.9808    -1.5677 C.3     
   9 C9            -3.2359     4.1150    -3.8796 C.2     
  10 N10           -3.1895     3.2087    -4.8538 N.2     
  11 N11           -3.1631     3.8450    -5.9748 N.2     
  12 N12           -3.1830     5.1110    -5.7433 N.2     
  13 N13           -3.2276     5.3083    -4.4700 N.pl3   
  14 C14           -2.3211     2.9850     0.2349 C.3     
  15 C15           -1.1674     1.9657     0.1265 C.3     
  16 N16           -1.7648     0.6645    -0.2075 N.am    
  17 C17           -1.0864    -0.4823    -0.4106 C.2     
  18 O18           -1.6871    -1.5044    -0.6771 O.2     
  19 O19            0.2571    -0.4942    -0.3236 O.3     
  20 C20            0.9218    -1.7632    -0.5604 C.3     
  21 C21            0.5969    -2.2533    -1.9729 C.3     
  22 C22            2.4343    -1.5808    -0.4191 C.3     
  23 C23            0.4346    -2.7926     0.4613 C.3     
  24 C24           -3.2291     0.8204    -0.2772 C.3     
  25 H25           -7.8747     1.5939    -0.7327 H       
  26 H26           -7.2556     2.2200     0.8142 H       
  27 H27           -7.3883     3.3005    -0.5940 H       
  28 H28           -4.8684     2.7297     0.9803 H       
  29 H29           -5.0011     3.8102    -0.4279 H       
  30 H30           -2.3103     5.2023    -1.2226 H       
  31 H31           -3.7373     5.8599    -2.0591 H       
  32 H32           -3.9442     4.7105    -0.7158 H       
  33 H33           -2.0355     3.9421    -0.2017 H       
  34 H34           -2.6258     3.1123     1.2737 H       
  35 H35           -0.6394     1.8980     1.0777 H       
  36 H36           -0.4786     2.2705    -0.6613 H       
  37 H37            0.9440    -1.5199    -2.7008 H       
  38 H38            1.0959    -3.2059    -2.1507 H       
  39 H39           -0.4806    -2.3832    -2.0736 H       
  40 H40            2.6657    -1.2317     0.5872 H       
  41 H41            2.9333    -2.5335    -0.5969 H       
  42 H42            2.7814    -0.8475    -1.1470 H       
  43 H43           -0.6430    -2.9225     0.3606 H       
  44 H44            0.9336    -3.7452     0.2835 H       
  45 H45            0.6660    -2.4435     1.4676 H       
  46 H46           -3.6391     0.2002    -1.0743 H       
  47 H47           -3.6843     0.5592     0.6781 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   25 1
   3    1   26 1
   4    1   27 1
   5    2    3 1
   6    3    4 1
   7    3   28 1
   8    3   29 1
   9    4   24 1
  10    4    5 1
  11    4   14 1
  12    5    6 2
  13    5    7 am
  14    7    8 1
  15    7    9 1
  16    8   30 1
  17    8   31 1
  18    8   32 1
  19    9   13 1
  20    9   10 2
  21   10   11 1
  22   11   12 2
  23   12   13 1
  24   14   15 1
  25   14   33 1
  26   14   34 1
  27   15   16 1
  28   15   35 1
  29   15   36 1
  30   16   17 am
  31   16   24 1
  32   17   18 2
  33   17   19 1
  34   19   20 1
  35   20   21 1
  36   20   22 1
  37   20   23 1
  38   21   37 1
  39   21   38 1
  40   21   39 1
  41   22   40 1
  42   22   41 1
  43   22   42 1
  44   23   43 1
  45   23   44 1
  46   23   45 1
  47   24   46 1
  48   24   47 1