@<TRIPOS>MOLECULE
REAL300019631068
  44   45    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1            -0.0127     1.0858     0.0080 C.3     
   2 N2            -0.6984     1.5583     1.2133 N.am    
   3 C3             0.0024     1.7862     2.3418 C.2     
   4 O4            -0.5653     2.1774     3.3396 O.2     
   5 C5             1.4914     1.5551     2.3636 C.3     
   6 C6             2.2022     2.5113     1.3799 C.3     
   7 C7             3.1336     3.3523     2.2808 C.3     
   8 O8             3.3576     2.5318     3.4480 O.3     
   9 C9             2.0769     1.9280     3.7437 C.3     
  10 C10            2.2606     0.6741     4.6008 C.3     
  11 N11            2.7027     1.0605     5.9430 N.am    
  12 C12            2.9302     0.1147     6.8759 C.2     
  13 O13            2.7685    -1.0585     6.6037 O.2     
  14 O14            3.3365     0.4698     8.1094 O.3     
  15 C15            3.5621    -0.6017     9.0630 C.3     
  16 C16            4.6449    -1.5410     8.5280 C.3     
  17 C17            4.0158    -0.0087    10.3985 C.3     
  18 C18            2.2635    -1.3844     9.2674 C.3     
  19 C19           -2.0819     1.7730     1.1930 C.2     
  20 N20           -2.8316     2.1907     2.2027 N.2     
  21 N21           -4.0477     2.2639     1.7809 N.pl3   
  22 N22           -4.0864     1.8984     0.5469 N.2     
  23 N23           -2.8945     1.5922     0.1620 N.2     
  24 H24            0.0021    -0.0041     0.0020 H       
  25 H25            1.0099     1.4631     0.0003 H       
  26 H26           -0.5399     1.4469    -0.8751 H       
  27 H27            1.7195     0.5175     2.1197 H       
  28 H28            2.7836     1.9465     0.6511 H       
  29 H29            1.4764     3.1495     0.8760 H       
  30 H30            4.0760     3.5520     1.7708 H       
  31 H31            2.6476     4.2868     2.5614 H       
  32 H32            1.4287     2.6433     4.2501 H       
  33 H33            1.3132     0.1394     4.6702 H       
  34 H34            3.0098     0.0279     4.1435 H       
  35 H35            2.8317     1.9970     6.1603 H       
  36 H36            5.5701    -0.9834     8.3824 H       
  37 H37            4.8143    -2.3453     9.2439 H       
  38 H38            4.3217    -1.9634     7.5766 H       
  39 H39            3.2444     0.6605    10.7796 H       
  40 H40            4.1852    -0.8130    11.1143 H       
  41 H41            4.9410     0.5490    10.2528 H       
  42 H42            1.9403    -1.8068     8.3160 H       
  43 H43            2.4329    -2.1887     9.9833 H       
  44 H44            1.4921    -0.7152     9.6486 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    9 1
  10    5    6 1
  11    5   27 1
  12    6    7 1
  13    6   28 1
  14    6   29 1
  15    7    8 1
  16    7   30 1
  17    7   31 1
  18    8    9 1
  19    9   10 1
  20    9   32 1
  21   10   11 1
  22   10   33 1
  23   10   34 1
  24   11   12 am
  25   11   35 1
  26   12   13 2
  27   12   14 1
  28   14   15 1
  29   15   16 1
  30   15   17 1
  31   15   18 1
  32   16   36 1
  33   16   37 1
  34   16   38 1
  35   17   39 1
  36   17   40 1
  37   17   41 1
  38   18   42 1
  39   18   43 1
  40   18   44 1
  41   19   23 1
  42   19   20 2
  43   20   21 1
  44   21   22 1
  45   22   23 2