@<TRIPOS>MOLECULE
REAL300019630965
  42   44    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             2.1683    -1.0581    -1.4584 C.3     
   2 C2             2.1417    -0.6172     0.0065 C.3     
   3 N3             2.1810     0.8455     0.0770 N.pl3   
   4 C4             3.4683     1.5413     0.1459 C.3     
   5 C5             3.8763     1.7152     1.6102 C.3     
   6 C6             0.9974     1.5728     0.0785 C.ar    
   7 C7            -0.2273     0.9046     0.0126 C.ar    
   8 C8            -1.3958     1.6046    -0.0050 C.ar    
   9 C9            -1.3717     3.0081     0.0446 C.ar    
  10 C10           -2.5762     3.7468    -0.0294 C.2     
  11 C11           -2.4864     5.1255    -0.1951 C.2     
  12 C12           -3.6898     5.9697    -0.2508 C.2     
  13 O13           -4.0326     6.6056     0.7280 O.2     
  14 N14           -4.4127     6.0387    -1.3862 N.am    
  15 C15           -4.0696     5.1846    -2.5260 C.3     
  16 C16           -5.4910     6.9262    -1.4765 C.2     
  17 N17           -5.9179     7.7499    -0.5301 N.2     
  18 N18           -6.9268     8.3980    -1.0037 N.pl3   
  19 N19           -7.1514     8.0027    -2.2083 N.2     
  20 N20           -6.2854     7.1007    -2.5227 N.2     
  21 C21           -1.1375     5.7053    -0.3129 C.2     
  22 O22           -0.9548     6.7549    -0.9010 O.2     
  23 O23           -0.1086     5.0349     0.2532 O.3     
  24 C24           -0.1386     3.6851     0.1423 C.ar    
  25 C25            1.0401     2.9593     0.1459 C.ar    
  26 H26            3.0816    -0.6960    -1.9303 H       
  27 H27            2.1391    -2.1465    -1.5108 H       
  28 H28            1.3030    -0.6460    -1.9776 H       
  29 H29            3.0070    -1.0293     0.5257 H       
  30 H30            1.2284    -0.9794     0.4784 H       
  31 H31            4.2260     0.9562    -0.3753 H       
  32 H32            3.3779     2.5203    -0.3247 H       
  33 H33            3.9667     0.7362     2.0809 H       
  34 H34            4.8342     2.2329     1.6615 H       
  35 H35            3.1187     2.3003     2.1315 H       
  36 H36           -0.2480    -0.1744    -0.0292 H       
  37 H37           -2.3393     1.0812    -0.0527 H       
  38 H38           -3.5356     3.2559     0.0408 H       
  39 H39           -4.6422     4.2588    -2.4716 H       
  40 H40           -4.3069     5.7046    -3.4541 H       
  41 H41           -3.0043     4.9551    -2.5003 H       
  42 H42            1.9902     3.4698     0.2014 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   26 1
   3    1   27 1
   4    1   28 1
   5    2    3 1
   6    2   29 1
   7    2   30 1
   8    3    4 1
   9    3    6 1
  10    4    5 1
  11    4   31 1
  12    4   32 1
  13    5   33 1
  14    5   34 1
  15    5   35 1
  16    6   25 ar
  17    6    7 ar
  18    7    8 ar
  19    7   36 1
  20    8    9 ar
  21    8   37 1
  22    9   24 ar
  23    9   10 1
  24   10   11 2
  25   10   38 1
  26   11   12 1
  27   11   21 1
  28   12   13 2
  29   12   14 am
  30   14   15 1
  31   14   16 1
  32   15   39 1
  33   15   40 1
  34   15   41 1
  35   16   20 1
  36   16   17 2
  37   17   18 1
  38   18   19 1
  39   19   20 2
  40   21   22 2
  41   21   23 1
  42   23   24 1
  43   24   25 ar
  44   25   42 1