@<TRIPOS>MOLECULE
REAL300009850661
  44   46    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1             3.5425     2.6259     2.0700 O.co2   
   2 C2             4.1591     2.6281     1.0182 C.2     
   3 O3             5.1315     3.3511     0.8831 O.co2   
   4 C4             3.7194     1.7371    -0.1148 C.3     
   5 C5             4.6754     0.5371    -0.2630 C.3     
   6 C6             3.7926    -0.6657    -0.0183 C.2     
   7 C7             4.2361    -2.0594    -0.0480 C.2     
   8 O8             5.4193    -2.3192    -0.1676 O.2     
   9 N9             3.3347    -3.0559     0.0572 N.am    
  10 C10            3.7731    -4.4550     0.1514 C.3     
  11 C11            3.1318    -5.0852     1.3970 C.3     
  12 C12            1.6135    -4.9060     1.3279 C.3     
  13 B13            0.9495    -5.5822     2.5797 Du      
  14 O14            0.5541    -6.9449     2.5243 O.3     
  15 O15            0.7444    -4.8310     3.7672 O.3     
  16 C16            1.2744    -3.4137     1.3147 C.3     
  17 C17            1.8948    -2.7641     0.0738 C.3     
  18 N18            2.5846    -0.2707     0.2269 N.2     
  19 N19            2.4228     1.1128     0.1912 N.pl3   
  20 C20            1.2261     1.7959     0.4153 C.ar    
  21 C21            0.0630     1.0893     0.6967 C.ar    
  22 C22           -1.1201     1.7680     0.9122 C.ar    
  23 C23           -1.1463     3.1497     0.8583 C.ar    
  24 C24            0.0094     3.8562     0.5790 C.ar    
  25 C25            1.1950     3.1840     0.3572 C.ar    
  26 H26            3.6627     2.3020    -1.0453 H       
  27 H27            5.0953     0.5048    -1.2683 H       
  28 H28            5.4706     0.5878     0.4808 H       
  29 H29            3.4574    -4.9976    -0.7397 H       
  30 H30            4.8589    -4.4926     0.2390 H       
  31 H31            3.5153    -4.5973     2.2930 H       
  32 H32            3.3715    -6.1480     1.4305 H       
  33 H33            1.2339    -5.3727     0.4190 H       
  34 H34            0.1552    -7.2722     3.3421 H       
  35 H35            0.3299    -5.3321     4.4828 H       
  36 H36            1.6754    -2.9415     2.2116 H       
  37 H37            0.1921    -3.2862     1.2894 H       
  38 H38            1.7409    -1.6856     0.1103 H       
  39 H39            1.4295    -3.1694    -0.8247 H       
  40 H40            0.0834     0.0105     0.7422 H       
  41 H41           -2.0254     1.2194     1.1265 H       
  42 H42           -2.0723     3.6781     1.0306 H       
  43 H43           -0.0156     4.9350     0.5340 H       
  44 H44            2.0969     3.7363     0.1385 H       
@<TRIPOS>BOND
   1    1    2 ar
   2    2    3 ar
   3    2    4 1
   4    4   19 1
   5    4    5 1
   6    4   26 1
   7    5    6 1
   8    5   27 1
   9    5   28 1
  10    6    7 1
  11    6   18 2
  12    7    8 2
  13    7    9 am
  14    9   17 1
  15    9   10 1
  16   10   11 1
  17   10   29 1
  18   10   30 1
  19   11   12 1
  20   11   31 1
  21   11   32 1
  22   12   13 1
  23   12   16 1
  24   12   33 1
  25   13   14 1
  26   13   15 1
  27   14   34 1
  28   15   35 1
  29   16   17 1
  30   16   36 1
  31   16   37 1
  32   17   38 1
  33   17   39 1
  34   18   19 1
  35   19   20 1
  36   20   25 ar
  37   20   21 ar
  38   21   22 ar
  39   21   40 1
  40   22   23 ar
  41   22   41 1
  42   23   24 ar
  43   23   42 1
  44   24   25 ar
  45   24   43 1
  46   25   44 1