@<TRIPOS>MOLECULE
REAL300019861491
  46   48    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1            -0.6460     3.4800     1.3407 C.3     
   2 C2            -0.7339     1.9542     1.2689 C.3     
   3 C3            -2.2030     1.5297     1.2193 C.3     
   4 C4            -0.0178     1.4608     0.0101 C.3     
   5 N5             0.0021    -0.0041     0.0020 N.am    
   6 C6            -1.0926    -0.7480    -0.6259 C.3     
   7 C7            -0.7695    -0.9869    -2.0784 C.2     
   8 N8            -1.0804    -0.2000    -3.0929 N.2     
   9 N9            -0.6277    -0.7505    -4.1674 N.pl3   
  10 N10           -0.0517    -1.8597    -3.8569 N.2     
  11 N11           -0.1262    -2.0258    -2.5804 N.2     
  12 C12            1.0275    -0.6673     0.5723 C.2     
  13 O13            1.0439    -1.8799     0.5656 O.2     
  14 C14            2.1536     0.0980     1.2182 C.3     
  15 C15            3.1796    -0.8855     1.7847 C.3     
  16 C16            4.3057    -0.1202     2.4306 C.ar    
  17 C17            5.4551     0.1559     1.7173 C.ar    
  18 C18            6.4879     0.8592     2.3121 C.ar    
  19 C19            6.3776     1.2902     3.6223 C.ar    
  20 C20            5.2335     1.0205     4.3448 C.ar    
  21 C21            4.1893     0.3161     3.7462 C.ar    
  22 B22            3.0559     0.1762     4.8239 Du      
  23 O23            1.8045    -0.4731     4.6537 O.3     
  24 O24            3.5174     0.8260     6.0004 O.3     
  25 C25            4.8225     1.3475     5.7553 C.3     
  26 H26           -1.1199     3.9131     0.4598 H       
  27 H27           -1.1562     3.8315     2.2375 H       
  28 H28            0.4006     3.7824     1.3760 H       
  29 H29           -0.2601     1.5211     2.1498 H       
  30 H30           -2.7132     1.8813     2.1161 H       
  31 H31           -2.6769     1.9628     0.3384 H       
  32 H32           -2.2657     0.4427     1.1682 H       
  33 H33            1.0048     1.8381     0.0023 H       
  34 H34           -0.5450     1.8219    -0.8730 H       
  35 H35           -1.2189    -1.7051    -0.1197 H       
  36 H36           -2.0147    -0.1718    -0.5489 H       
  37 H37            2.6329     0.7354     0.4752 H       
  38 H38            1.7578     0.7150     2.0250 H       
  39 H39            2.7002    -1.5228     2.5277 H       
  40 H40            3.5754    -1.5024     0.9779 H       
  41 H41            5.5481    -0.1770     0.6941 H       
  42 H42            7.3851     1.0733     1.7503 H       
  43 H43            7.1877     1.8385     4.0798 H       
  44 H44            1.2393    -0.4495     5.4380 H       
  45 H45            5.5301     0.9004     6.4535 H       
  46 H46            4.8127     2.4291     5.8900 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    4 1
   7    2   29 1
   8    3   30 1
   9    3   31 1
  10    3   32 1
  11    4    5 1
  12    4   33 1
  13    4   34 1
  14    5    6 1
  15    5   12 am
  16    6    7 1
  17    6   35 1
  18    6   36 1
  19    7   11 1
  20    7    8 2
  21    8    9 1
  22    9   10 1
  23   10   11 2
  24   12   13 2
  25   12   14 1
  26   14   15 1
  27   14   37 1
  28   14   38 1
  29   15   16 1
  30   15   39 1
  31   15   40 1
  32   16   21 ar
  33   16   17 ar
  34   17   18 ar
  35   17   41 1
  36   18   19 ar
  37   18   42 1
  38   19   20 ar
  39   19   43 1
  40   20   25 1
  41   20   21 ar
  42   21   22 1
  43   22   23 1
  44   22   24 1
  45   23   44 1
  46   24   25 1
  47   25   45 1
  48   25   46 1