@<TRIPOS>MOLECULE
REAL300019631039
  42   44    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             3.9601     3.7383    -2.1683 C.3     
   2 N2             3.1119     3.0550    -1.1887 N.am    
   3 C3             3.6593     2.1959    -0.3062 C.2     
   4 O4             2.9750     1.7052     0.5668 O.2     
   5 C5             5.1216     1.8449    -0.4041 C.3     
   6 C6             5.3836     1.1145    -1.7227 C.3     
   7 C7             4.6865    -0.2215    -1.7040 C.ar    
   8 C8             3.3878    -0.3297    -2.1645 C.ar    
   9 C9             2.7479    -1.5552    -2.1484 C.ar    
  10 C10            3.4065    -2.6728    -1.6720 C.ar    
  11 C11            4.7066    -2.5650    -1.2104 C.ar    
  12 Cl12           5.5346    -3.9684    -0.6117 Cl      
  13 C13            5.3481    -1.3396    -1.2316 C.ar    
  14 C14            5.5081     0.9387     0.7665 C.3     
  15 C15            5.2461     1.6692     2.0851 C.3     
  16 C16            6.0822     2.9496     2.1337 C.3     
  17 C17            5.6957     3.8558     0.9631 C.3     
  18 C18            5.9577     3.1254    -0.3555 C.3     
  19 C19            1.7325     3.2943    -1.1691 C.2     
  20 N20            0.8479     2.7514    -0.3453 N.2     
  21 N21           -0.3112     3.2275    -0.6492 N.pl3   
  22 N22           -0.1827     4.0481    -1.6331 N.2     
  23 N23            1.0602     4.1074    -1.9710 N.2     
  24 H24            4.2353     4.7218    -1.7873 H       
  25 H25            4.8615     3.1504    -2.3412 H       
  26 H26            3.4147     3.8512    -3.1052 H       
  27 H27            5.0022     1.7117    -2.5509 H       
  28 H28            6.4558     0.9631    -1.8474 H       
  29 H29            2.8728     0.5433    -2.5373 H       
  30 H30            1.7332    -1.6392    -2.5087 H       
  31 H31            2.9068    -3.6301    -1.6602 H       
  32 H32            6.3643    -1.2557    -0.8756 H       
  33 H33            4.9124     0.0265     0.7319 H       
  34 H34            6.5658     0.6849     0.6957 H       
  35 H35            5.5215     1.0236     2.9190 H       
  36 H36            4.1884     1.9230     2.1559 H       
  37 H37            7.1399     2.6958     2.0628 H       
  38 H38            5.8956     3.4700     3.0730 H       
  39 H39            6.2914     4.7680     0.9977 H       
  40 H40            4.6380     4.1097     1.0339 H       
  41 H41            7.0154     2.8715    -0.4263 H       
  42 H42            5.6823     3.7710    -1.1895 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 1
  44   22   23 2