@<TRIPOS>MOLECULE
REAL300019630776
  34   35    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             8.0422     5.2642     0.8505 C.3     
   2 C2             7.6111     4.6635    -0.4890 C.3     
   3 S3             6.0341     3.7914    -0.2810 S.3     
   4 C4             4.8741     5.1062    -0.1067 C.ar    
   5 C5             5.2791     6.4238    -0.2854 C.ar    
   6 C6             4.3700     7.4516    -0.1427 C.ar    
   7 C7             3.0480     7.1808     0.1738 C.ar    
   8 C8             2.6260     5.8811     0.3497 C.ar    
   9 C9             3.5337     4.8284     0.2088 C.ar    
  10 C10            3.0893     3.4359     0.3960 C.2     
  11 O11            3.8902     2.5805     0.7216 O.2     
  12 N12            1.7952     3.1103     0.2065 N.am    
  13 C13            0.8406     4.1297    -0.2359 C.3     
  14 C14            1.3635     1.7984     0.4323 C.2     
  15 N15            0.1297     1.3366     0.2879 N.2     
  16 N16            0.1446     0.0835     0.5912 N.pl3   
  17 N17            1.3429    -0.2543     0.9198 N.2     
  18 N18            2.1098     0.7784     0.8309 N.2     
  19 C19            8.6618     3.6944    -0.9664 C.2     
  20 N20            9.7769     4.1524    -1.5690 N.am    
  21 O21            8.5040     2.5023    -0.8083 O.2     
  22 H22            8.2707     4.4617     1.5519 H       
  23 H23            8.9284     5.8814     0.7034 H       
  24 H24            7.2346     5.8773     1.2505 H       
  25 H25            7.4915     5.4604    -1.2229 H       
  26 H26            6.3075     6.6435    -0.5318 H       
  27 H27            4.6905     8.4740    -0.2788 H       
  28 H28            2.3447     7.9931     0.2828 H       
  29 H29            1.5948     5.6763     0.5965 H       
  30 H30            0.3243     4.5441     0.6299 H       
  31 H31            1.3739     4.9254    -0.7561 H       
  32 H32            0.1135     3.6781    -0.9108 H       
  33 H33            9.9032     5.1058    -1.6954 H       
  34 H34           10.4533     3.5286    -1.8763 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   22 1
   3    1   23 1
   4    1   24 1
   5    2    3 1
   6    2   19 1
   7    2   25 1
   8    3    4 1
   9    4    9 ar
  10    4    5 ar
  11    5    6 ar
  12    5   26 1
  13    6    7 ar
  14    6   27 1
  15    7    8 ar
  16    7   28 1
  17    8    9 ar
  18    8   29 1
  19    9   10 1
  20   10   11 2
  21   10   12 am
  22   12   13 1
  23   12   14 1
  24   13   30 1
  25   13   31 1
  26   13   32 1
  27   14   18 1
  28   14   15 2
  29   15   16 1
  30   16   17 1
  31   17   18 2
  32   19   20 am
  33   19   21 2
  34   20   33 1
  35   20   34 1