@<TRIPOS>MOLECULE
REAL300009850836
  42   43    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1             5.8165     7.7283    -4.3797 O.co2   
   2 C2             6.6309     8.5091    -3.9176 C.2     
   3 O3             7.6705     8.7303    -4.5149 O.co2   
   4 C4             6.3525     9.2009    -2.6080 C.3     
   5 N5             5.0497     8.7697    -2.0952 N.am    
   6 C6             3.8736     9.5361    -2.4875 C.3     
   7 C7             2.7139     9.2653    -1.5282 C.3     
   8 C8             2.5351     7.7485    -1.3933 C.3     
   9 C9             3.7559     7.1801    -0.6656 C.3     
  10 C10            3.7363     5.6758    -0.7548 C.2     
  11 O11            4.3633     5.1118    -1.6264 O.2     
  12 N12            3.0221     4.9573     0.1341 N.am    
  13 C13            2.3436     5.6176     1.2577 C.3     
  14 C14            0.8660     5.2132     1.2478 C.3     
  15 C15            0.7590     3.6866     1.2583 C.3     
  16 C16            1.4238     3.1182     0.0025 C.3     
  17 B17            1.2839     1.5544    -0.0024 Du      
  18 O18           -0.0041     0.9568     0.0038 O.3     
  19 O19            2.4455     0.7378    -0.0130 O.3     
  20 C20            2.9077     3.4989    -0.0017 C.3     
  21 C21            5.0143     7.7010    -1.2985 C.2     
  22 O22            6.0538     7.1183    -1.0732 O.2     
  23 H23            6.3435    10.2800    -2.7618 H       
  24 H24            7.1296     8.9430    -1.8885 H       
  25 H25            4.1142    10.5991    -2.4709 H       
  26 H26            3.5770     9.2496    -3.4965 H       
  27 H27            2.9380     9.6966    -0.5526 H       
  28 H28            1.8007     9.7101    -1.9236 H       
  29 H29            2.4548     7.2978    -2.3825 H       
  30 H30            1.6336     7.5363    -0.8186 H       
  31 H31            3.7258     7.4811     0.3816 H       
  32 H32            2.4271     6.6991     1.1504 H       
  33 H33            2.8017     5.3049     2.1960 H       
  34 H34            0.3875     5.6052     0.3503 H       
  35 H35            0.3714     5.6187     2.1304 H       
  36 H36           -0.2915     3.3963     1.2762 H       
  37 H37            1.2592     3.2936     2.1435 H       
  38 H38            0.9397     3.5295    -0.8833 H       
  39 H39            0.0109    -0.0101     0.0001 H       
  40 H40            3.2754     1.2342    -0.0166 H       
  41 H41            3.4118     3.0134     0.8339 H       
  42 H42            3.3634     3.1824    -0.9399 H       
@<TRIPOS>BOND
   1    1    2 ar
   2    2    3 ar
   3    2    4 1
   4    4    5 1
   5    4   23 1
   6    4   24 1
   7    5   21 am
   8    5    6 1
   9    6    7 1
  10    6   25 1
  11    6   26 1
  12    7    8 1
  13    7   27 1
  14    7   28 1
  15    8    9 1
  16    8   29 1
  17    8   30 1
  18    9   10 1
  19    9   21 1
  20    9   31 1
  21   10   11 2
  22   10   12 am
  23   12   20 1
  24   12   13 1
  25   13   14 1
  26   13   32 1
  27   13   33 1
  28   14   15 1
  29   14   34 1
  30   14   35 1
  31   15   16 1
  32   15   36 1
  33   15   37 1
  34   16   17 1
  35   16   20 1
  36   16   38 1
  37   17   18 1
  38   17   19 1
  39   18   39 1
  40   19   40 1
  41   20   41 1
  42   20   42 1
  43   21   22 2