@<TRIPOS>MOLECULE
REAL300019794428
  45   48    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1             0.0021    -0.0041     0.0020 O.2     
   2 C2            -0.0144     1.2086     0.0087 C.2     
   3 C3            -1.3296     1.9443     0.0189 C.3     
   4 C4            -2.4789     0.9344     0.0189 C.3     
   5 C5            -3.7941     1.6700     0.0291 C.ar    
   6 C6            -4.4443     1.9112     1.2229 C.ar    
   7 C7            -5.6518     2.5874     1.2303 C.ar    
   8 C8            -6.2155     3.0259     0.0452 C.ar    
   9 C9            -5.5745     2.7910    -1.1539 C.ar    
  10 C10           -4.3553     2.1141    -1.1636 C.ar    
  11 B11           -3.9027     2.0099    -2.6636 Du      
  12 O12           -2.7174     1.3954    -3.1470 O.3     
  13 O13           -4.9015     2.6507    -3.4454 O.3     
  14 C14           -5.9246     3.1345    -2.5769 C.3     
  15 N15            1.1435     1.8983     0.0013 N.am    
  16 C16            1.1397     3.3676     0.0031 C.3     
  17 C17            2.0104     3.8570     1.1703 C.3     
  18 C18            3.4030     3.2326     1.0572 C.3     
  19 O19            3.9861     3.5934    -0.1965 O.3     
  20 C20            4.2727     3.7384     2.1792 C.2     
  21 N21            4.8549     3.0081     3.1134 N.2     
  22 N22            5.5106     3.8084     3.8829 N.pl3   
  23 N23            5.3494     5.0154     3.4637 N.2     
  24 N24            4.5935     4.9972     2.4193 N.2     
  25 C25            3.2896     1.7090     1.1471 C.3     
  26 C26            2.4335     1.1952    -0.0148 C.3     
  27 H27           -1.3916     2.5653     0.9126 H       
  28 H28           -1.4000     2.5749    -0.8673 H       
  29 H29           -2.4169     0.3134    -0.8748 H       
  30 H30           -2.4084     0.3037     0.9051 H       
  31 H31           -4.0101     1.5722     2.1519 H       
  32 H32           -6.1568     2.7742     2.1665 H       
  33 H33           -7.1581     3.5530     0.0588 H       
  34 H34           -2.6162     1.4376    -4.1078 H       
  35 H35           -6.8750     2.6701    -2.8400 H       
  36 H36           -6.0074     4.2164    -2.6803 H       
  37 H37            1.5465     3.7351    -0.9390 H       
  38 H38            0.1196     3.7302     0.1292 H       
  39 H39            1.5551     3.5619     2.1157 H       
  40 H40            2.0942     4.9430     1.1297 H       
  41 H41            4.0886     4.5466    -0.3228 H       
  42 H42            2.8223     1.4342     2.0927 H       
  43 H43            4.2840     1.2662     1.0899 H       
  44 H44            2.2673     0.1241     0.0996 H       
  45 H45            2.9437     1.3893    -0.9583 H       
@<TRIPOS>BOND
   1    1    2 2
   2    2    3 1
   3    2   15 am
   4    3    4 1
   5    3   27 1
   6    3   28 1
   7    4    5 1
   8    4   29 1
   9    4   30 1
  10    5   10 ar
  11    5    6 ar
  12    6    7 ar
  13    6   31 1
  14    7    8 ar
  15    7   32 1
  16    8    9 ar
  17    8   33 1
  18    9   14 1
  19    9   10 ar
  20   10   11 1
  21   11   12 1
  22   11   13 1
  23   12   34 1
  24   13   14 1
  25   14   35 1
  26   14   36 1
  27   15   26 1
  28   15   16 1
  29   16   17 1
  30   16   37 1
  31   16   38 1
  32   17   18 1
  33   17   39 1
  34   17   40 1
  35   18   19 1
  36   18   20 1
  37   18   25 1
  38   19   41 1
  39   20   24 1
  40   20   21 2
  41   21   22 1
  42   22   23 1
  43   23   24 2
  44   25   26 1
  45   25   42 1
  46   25   43 1
  47   26   44 1
  48   26   45 1