@<TRIPOS>MOLECULE
REAL300019631040
  42   44    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             3.9505     3.7389    -2.1680 C.3     
   2 N2             3.1022     3.0551    -1.1888 N.am    
   3 C3             3.6496     2.1958    -0.3064 C.2     
   4 O4             2.9653     1.7049     0.5661 O.2     
   5 C5             5.1119     1.8452    -0.4042 C.3     
   6 C6             5.3743     1.1151    -1.7229 C.3     
   7 C7             4.6774    -0.2209    -1.7047 C.ar    
   8 C8             3.3787    -0.3290    -2.1655 C.ar    
   9 C9             2.7382    -1.5543    -2.1498 C.ar    
  10 C10            3.3958    -2.6722    -1.6733 C.ar    
  11 C11            4.6969    -2.5651    -1.2114 C.ar    
  12 F12            5.3409    -3.6575    -0.7454 F       
  13 C13            5.3390    -1.3389    -1.2325 C.ar    
  14 C14            5.4984     0.9388     0.7663 C.3     
  15 C15            5.2360     1.6689     2.0850 C.3     
  16 C16            6.0719     2.9494     2.1341 C.3     
  17 C17            5.6854     3.8558     0.9636 C.3     
  18 C18            5.9478     3.1258    -0.3551 C.3     
  19 C19            1.7357     3.2919    -1.1697 C.2     
  20 N20            0.8451     2.7473    -0.3433 N.2     
  21 N21           -0.3122     3.2255    -0.6503 N.2     
  22 N22           -0.1836     4.0461    -1.6336 N.2     
  23 N23            1.0583     4.1084    -1.9741 N.pl3   
  24 H24            4.2255     4.7223    -1.7867 H       
  25 H25            4.8521     3.1512    -2.3410 H       
  26 H26            3.4052     3.8520    -3.1050 H       
  27 H27            4.9931     1.7125    -2.5510 H       
  28 H28            6.4466     0.9639    -1.8474 H       
  29 H29            2.8641     0.5441    -2.5384 H       
  30 H30            1.7236    -1.6376    -2.5105 H       
  31 H31            2.8954    -3.6292    -1.6615 H       
  32 H32            6.3552    -1.2549    -0.8763 H       
  33 H33            4.9029     0.0265     0.7313 H       
  34 H34            6.5561     0.6852     0.6956 H       
  35 H35            5.5113     1.0231     2.9188 H       
  36 H36            4.1783     1.9225     2.1557 H       
  37 H37            7.1296     2.6958     2.0634 H       
  38 H38            5.8849     3.4695     3.0735 H       
  39 H39            6.2809     4.7681     0.9986 H       
  40 H40            4.6277     4.1095     1.0343 H       
  41 H41            7.0055     2.8721    -0.4258 H       
  42 H42            5.6725     3.7715    -1.1889 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   24 1
   3    1   25 1
   4    1   26 1
   5    2    3 am
   6    2   19 1
   7    3    4 2
   8    3    5 1
   9    5   18 1
  10    5    6 1
  11    5   14 1
  12    6    7 1
  13    6   27 1
  14    6   28 1
  15    7   13 ar
  16    7    8 ar
  17    8    9 ar
  18    8   29 1
  19    9   10 ar
  20    9   30 1
  21   10   11 ar
  22   10   31 1
  23   11   12 1
  24   11   13 ar
  25   13   32 1
  26   14   15 1
  27   14   33 1
  28   14   34 1
  29   15   16 1
  30   15   35 1
  31   15   36 1
  32   16   17 1
  33   16   37 1
  34   16   38 1
  35   17   18 1
  36   17   39 1
  37   17   40 1
  38   18   41 1
  39   18   42 1
  40   19   23 1
  41   19   20 2
  42   20   21 1
  43   21   22 2
  44   22   23 1