@<TRIPOS>MOLECULE
REAL300019631110
  46   47    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             4.9224     5.2615    -1.2109 C.3     
   2 C2             4.3962     5.0338     0.2076 C.3     
   3 N3             5.4600     4.4627     1.0373 N.am    
   4 C4             6.3543     5.2726     1.6379 C.2     
   5 O5             6.2783     6.4764     1.4912 O.2     
   6 O6             7.3320     4.7478     2.4005 O.3     
   7 C7             8.2595     5.6796     3.0165 C.3     
   8 C8             7.4908     6.6337     3.9329 C.3     
   9 C9             9.2914     4.9042     3.8380 C.3     
  10 C10            8.9738     6.4830     1.9278 C.3     
  11 C11            3.2282     4.0826     0.1634 C.ar    
  12 C12            1.9364     4.5748     0.2227 C.ar    
  13 C13            0.8628     3.7094     0.1832 C.ar    
  14 C14            1.0819     2.3345     0.0832 C.ar    
  15 C15           -0.0637     1.4014     0.0408 C.2     
  16 O16           -1.1346     1.7319     0.5119 O.2     
  17 N17            0.0774     0.1863    -0.5249 N.am    
  18 C18            1.3292    -0.1670    -1.1989 C.3     
  19 C19           -0.9719    -0.7380    -0.4685 C.2     
  20 N20           -2.1515    -0.5601     0.1087 N.2     
  21 N21           -2.8347    -1.6405    -0.0599 N.pl3   
  22 N22           -2.1218    -2.4898    -0.7142 N.2     
  23 N23           -0.9753    -1.9617    -0.9771 N.2     
  24 C24            2.3877     1.8442     0.0291 C.ar    
  25 C25            3.4523     2.7208     0.0642 C.ar    
  26 H26            5.2440     4.3107    -1.6361 H       
  27 H27            4.1309     5.6864    -1.8282 H       
  28 H28            5.7672     5.9495    -1.1790 H       
  29 H29            4.0746     5.9845     0.6328 H       
  30 H30            5.5207     3.5017     1.1544 H       
  31 H31            6.9819     6.0614     4.7085 H       
  32 H32            8.1871     7.3333     4.3953 H       
  33 H33            6.7557     7.1862     3.3476 H       
  34 H34            9.8390     4.2245     3.1851 H       
  35 H35            9.9877     5.6037     4.3004 H       
  36 H36            8.7825     4.3318     4.6136 H       
  37 H37            8.2387     7.0355     1.3426 H       
  38 H38            9.6702     7.1826     2.3902 H       
  39 H39            9.5215     5.8033     1.2750 H       
  40 H40            1.7683     5.6388     0.3005 H       
  41 H41           -0.1450     4.0949     0.2299 H       
  42 H42            1.9716    -0.7142    -0.5089 H       
  43 H43            1.1117    -0.7914    -2.0655 H       
  44 H44            1.8359     0.7417    -1.5239 H       
  45 H45            2.5641     0.7812    -0.0442 H       
  46 H46            4.4631     2.3431     0.0183 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   11 1
   7    2   29 1
   8    3    4 am
   9    3   30 1
  10    4    5 2
  11    4    6 1
  12    6    7 1
  13    7    8 1
  14    7    9 1
  15    7   10 1
  16    8   31 1
  17    8   32 1
  18    8   33 1
  19    9   34 1
  20    9   35 1
  21    9   36 1
  22   10   37 1
  23   10   38 1
  24   10   39 1
  25   11   25 ar
  26   11   12 ar
  27   12   13 ar
  28   12   40 1
  29   13   14 ar
  30   13   41 1
  31   14   15 1
  32   14   24 ar
  33   15   16 2
  34   15   17 am
  35   17   18 1
  36   17   19 1
  37   18   42 1
  38   18   43 1
  39   18   44 1
  40   19   23 1
  41   19   20 2
  42   20   21 1
  43   21   22 1
  44   22   23 2
  45   24   25 ar
  46   24   45 1
  47   25   46 1