@<TRIPOS>MOLECULE
REAL300019631039
  42   44    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             3.9507     3.7386    -2.1678 C.3     
   2 N2             3.1024     3.0547    -1.1885 N.am    
   3 C3             3.6499     2.1954    -0.3063 C.2     
   4 O4             2.9657     1.7043     0.5663 O.2     
   5 C5             5.1123     1.8449    -0.4041 C.3     
   6 C6             5.3746     1.1149    -1.7229 C.3     
   7 C7             4.6777    -0.2212    -1.7048 C.ar    
   8 C8             3.3791    -0.3295    -2.1656 C.ar    
   9 C9             2.7394    -1.5551    -2.1501 C.ar    
  10 C10            3.3982    -2.6727    -1.6738 C.ar    
  11 C11            4.6981    -2.5648    -1.2119 C.ar    
  12 Cl12           5.5262    -3.9683    -0.6135 Cl      
  13 C13            5.3394    -1.3393    -1.2326 C.ar    
  14 C14            5.4988     0.9383     0.7662 C.3     
  15 C15            5.2365     1.6683     2.0850 C.3     
  16 C16            6.0723     2.9489     2.1342 C.3     
  17 C17            5.6857     3.8554     0.9638 C.3     
  18 C18            5.9481     3.1254    -0.3550 C.3     
  19 C19            1.7360     3.2915    -1.1693 C.2     
  20 N20            0.8454     2.7468    -0.3430 N.2     
  21 N21           -0.3119     3.2249    -0.6499 N.2     
  22 N22           -0.1835     4.0456    -1.6331 N.2     
  23 N23            1.0584     4.1080    -1.9737 N.pl3   
  24 H24            4.2256     4.7220    -1.7864 H       
  25 H25            4.8522     3.1510    -2.3408 H       
  26 H26            3.4053     3.8518    -3.1047 H       
  27 H27            4.9933     1.7124    -2.5510 H       
  28 H28            6.4469     0.9637    -1.8475 H       
  29 H29            2.8640     0.5436    -2.5382 H       
  30 H30            1.7249    -1.6392    -2.5106 H       
  31 H31            2.8986    -3.6302    -1.6625 H       
  32 H32            6.3555    -1.2554    -0.8764 H       
  33 H33            4.9033     0.0260     0.7312 H       
  34 H34            6.5565     0.6848     0.6955 H       
  35 H35            5.5118     1.0225     2.9188 H       
  36 H36            4.1787     1.9219     2.1558 H       
  37 H37            7.1300     2.6953     2.0634 H       
  38 H38            5.8854     3.4689     3.0737 H       
  39 H39            6.2812     4.7677     0.9988 H       
  40 H40            4.6280     4.1090     1.0346 H       
  41 H41            7.0058     2.8719    -0.4257 H       
  42 H42            5.6727     3.7713    -1.1888 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