@<TRIPOS>MOLECULE
REAL300019630840
  42   44    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1            -4.3697     0.7180    -2.9555 C.3     
   2 C2            -3.2282     1.6824    -2.6271 C.3     
   3 O3            -2.0280     0.9406    -2.4011 O.3     
   4 C4            -0.9119     1.6516    -2.0958 C.ar    
   5 C5             0.2883     0.9914    -1.8642 C.ar    
   6 C6             1.4242     1.7095    -1.5602 C.ar    
   7 C7             1.3666     3.1028    -1.4793 C.ar    
   8 C8             2.5815     3.8763    -1.1532 C.2     
   9 N9             2.6323     5.1760    -1.0595 N.2     
  10 C10            3.7860     5.7101    -0.7591 C.2     
  11 C11            3.9889     7.1963    -0.6136 C.3     
  12 C12            4.3735     7.7935    -1.9687 C.3     
  13 C13            4.7955     4.8004    -0.5931 C.2     
  14 C14            6.1884     5.1075    -0.2596 C.2     
  15 O15            6.5765     6.2611    -0.2695 O.2     
  16 N16            7.0403     4.1126     0.0583 N.am    
  17 C17            6.5770     2.7228     0.0563 C.3     
  18 C18            8.3674     4.4072     0.3902 C.2     
  19 N19            8.9244     5.6092     0.4280 N.2     
  20 N20           10.1556     5.4572     0.7796 N.pl3   
  21 N21           10.3903     4.2033     0.9539 N.2     
  22 N22            9.3109     3.5375     0.7216 N.2     
  23 S23            4.1196     3.1941    -0.8530 S.3     
  24 C24            0.1566     3.7623    -1.7071 C.ar    
  25 C25           -0.9748     3.0368    -2.0106 C.ar    
  26 H26           -4.1192     0.1503    -3.8517 H       
  27 H27           -4.5178     0.0327    -2.1209 H       
  28 H28           -5.2852     1.2839    -3.1280 H       
  29 H29           -3.4787     2.2501    -1.7310 H       
  30 H30           -3.0801     2.3677    -3.4617 H       
  31 H31            0.3320    -0.0859    -1.9269 H       
  32 H32            2.3579     1.1959    -1.3850 H       
  33 H33            3.0652     7.6565    -0.2627 H       
  34 H34            4.7854     7.3855     0.1060 H       
  35 H35            3.5771     7.6043    -2.6884 H       
  36 H36            4.5203     8.8685    -1.8635 H       
  37 H37            5.2972     7.3333    -2.3196 H       
  38 H38            6.6212     2.3266    -0.9582 H       
  39 H39            7.2155     2.1260     0.7076 H       
  40 H40            5.5495     2.6819     0.4179 H       
  41 H41            0.1078     4.8394    -1.6452 H       
  42 H42           -1.9107     3.5460    -2.1870 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   26 1
   3    1   27 1
   4    1   28 1
   5    2    3 1
   6    2   29 1
   7    2   30 1
   8    3    4 1
   9    4   25 ar
  10    4    5 ar
  11    5    6 ar
  12    5   31 1
  13    6    7 ar
  14    6   32 1
  15    7    8 1
  16    7   24 ar
  17    8   23 1
  18    8    9 2
  19    9   10 1
  20   10   11 1
  21   10   13 2
  22   11   12 1
  23   11   33 1
  24   11   34 1
  25   12   35 1
  26   12   36 1
  27   12   37 1
  28   13   14 1
  29   13   23 1
  30   14   15 2
  31   14   16 am
  32   16   17 1
  33   16   18 1
  34   17   38 1
  35   17   39 1
  36   17   40 1
  37   18   22 1
  38   18   19 2
  39   19   20 1
  40   20   21 1
  41   21   22 2
  42   24   25 ar
  43   24   41 1
  44   25   42 1