@<TRIPOS>MOLECULE
REAL250005000745
  29   29    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             4.6217    12.1868     2.4697 C.1     
   2 C2             4.5378    11.0161     2.4407 C.1     
   3 C3             4.4326     9.5483     2.4043 C.3     
   4 N4             3.1955     9.1631     1.7120 N.4     
   5 H5             3.2117     9.5226     0.7694 H       
   6 H6             2.4018     9.5451     2.2041 H       
   7 C7             3.0905     7.6983     1.6758 C.3     
   8 C8             1.8214     7.3031     0.9656 C.2     
   9 O9             1.0777     8.1575     0.5324 O.2     
  10 N10            1.5129     6.0001     0.8119 N.pl3   
  11 S11            0.1184     5.5659     0.0316 S.o2    
  12 O12            0.2739     5.9689    -1.3222 O.2     
  13 O13           -0.9546     6.0031     0.8542 O.2     
  14 C14            0.0526     3.8051     0.0221 C.ar    
  15 N15            1.1709     3.1102     0.0076 N.ar    
  16 C16            1.1714     1.7907     0.0005 C.ar    
  17 C17           -0.0126     1.0758     0.0080 C.ar    
  18 C18           -1.2162     1.7586     0.0173 C.ar    
  19 C19           -1.1848     3.1585     0.0304 C.ar    
  20 C20           -2.4012     3.9141     0.0462 C.1     
  21 N21           -3.3661     4.5135     0.0587 N.1     
  22 H22            4.6968    13.2337     2.4956 H       
  23 H23            4.4151     9.1600     3.4226 H       
  24 H24            5.2900     9.1357     1.8727 H       
  25 H25            3.0730     7.3099     2.6941 H       
  26 H26            3.9479     7.2856     1.1442 H       
  27 H27            2.1120     1.2601    -0.0110 H       
  28 H28            0.0021    -0.0041     0.0020 H       
  29 H29           -2.1555     1.2255     0.0188 H       
@<TRIPOS>BOND
   1    1    2 3
   2    1   22 1
   3    2    3 1
   4    3    4 1
   5    3   23 1
   6    3   24 1
   7    4    5 1
   8    4    6 1
   9    4    7 1
  10    7    8 1
  11    7   25 1
  12    7   26 1
  13    8    9 2
  14    8   10 1
  15   10   11 1
  16   11   12 2
  17   11   13 2
  18   11   14 1
  19   14   19 ar
  20   14   15 ar
  21   15   16 ar
  22   16   17 ar
  23   16   27 1
  24   17   18 ar
  25   17   28 1
  26   18   19 ar
  27   18   29 1
  28   19   20 1
  29   20   21 3