@<TRIPOS>MOLECULE
REAL300019631179
  47   49    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1            -0.1798     0.1912     0.5109 C.3     
   2 N2            -0.7796     1.1391     1.4532 N.am    
   3 C3            -0.0179     1.7199     2.4014 C.2     
   4 O4            -0.5299     2.4342     3.2370 O.2     
   5 C5             1.4700     1.4818     2.4231 C.3     
   6 C6             2.2052     2.5913     1.6305 C.3     
   7 C7             3.6161     2.5514     2.2748 C.3     
   8 C8             3.3120     2.2315     3.7535 C.3     
   9 C9             4.3691     1.2737     4.3068 C.3     
  10 C10            5.0333     1.6450     5.6341 C.3     
  11 C11            5.8203     1.7581     4.3261 C.3     
  12 N12            1.9872     1.5918     3.7993 N.am    
  13 C13            1.3510     1.1779     4.9130 C.2     
  14 O14            1.9079     1.2440     5.9909 O.2     
  15 O15            0.0984     0.6911     4.8311 O.3     
  16 C16           -0.5252     0.2640     6.0709 C.3     
  17 C17           -0.6068     1.4489     7.0353 C.3     
  18 C18           -1.9348    -0.2552     5.7804 C.3     
  19 C19            0.3090    -0.8519     6.7033 C.3     
  20 C20           -2.1312     1.4388     1.3697 C.2     
  21 N21           -2.8119     2.2706     2.1553 N.2     
  22 N22           -4.0357     2.2734     1.7496 N.2     
  23 N23           -4.1513     1.4727     0.7485 N.2     
  24 N24           -3.0027     0.9464     0.4918 N.pl3   
  25 H25           -0.1584    -0.8022     0.9590 H       
  26 H26            0.8370     0.5061     0.2764 H       
  27 H27           -0.7719     0.1645    -0.4039 H       
  28 H28            1.7026     0.5012     2.0077 H       
  29 H29            2.2532     2.3469     0.5694 H       
  30 H30            1.7318     3.5608     1.7850 H       
  31 H31            4.2226     1.7643     1.8267 H       
  32 H32            4.1094     3.5191     2.1831 H       
  33 H33            3.3036     3.1516     4.3378 H       
  34 H34            4.1942     0.2160     4.1101 H       
  35 H35            4.7171     2.5716     6.1133 H       
  36 H36            5.2956     0.8315     6.3105 H       
  37 H37            6.6001     1.0190     4.1425 H       
  38 H38            6.0219     2.7590     3.9443 H       
  39 H39           -1.2011     2.2438     6.5848 H       
  40 H40           -1.0749     1.1283     7.9660 H       
  41 H41            0.3974     1.8188     7.2423 H       
  42 H42           -1.8766    -1.0994     5.0933 H       
  43 H43           -2.4029    -0.5758     6.7110 H       
  44 H44           -2.5291     0.5397     5.3298 H       
  45 H45            1.3132    -0.4820     6.9103 H       
  46 H46           -0.1591    -1.1725     7.6340 H       
  47 H47            0.3671    -1.6960     6.0162 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   25 1
   3    1   26 1
   4    1   27 1
   5    2    3 am
   6    2   20 1
   7    3    4 2
   8    3    5 1
   9    5   12 1
  10    5    6 1
  11    5   28 1
  12    6    7 1
  13    6   29 1
  14    6   30 1
  15    7    8 1
  16    7   31 1
  17    7   32 1
  18    8    9 1
  19    8   12 1
  20    8   33 1
  21    9   11 1
  22    9   10 1
  23    9   34 1
  24   10   11 1
  25   10   35 1
  26   10   36 1
  27   11   37 1
  28   11   38 1
  29   12   13 am
  30   13   14 2
  31   13   15 1
  32   15   16 1
  33   16   17 1
  34   16   18 1
  35   16   19 1
  36   17   39 1
  37   17   40 1
  38   17   41 1
  39   18   42 1
  40   18   43 1
  41   18   44 1
  42   19   45 1
  43   19   46 1
  44   19   47 1
  45   20   24 1
  46   20   21 2
  47   21   22 1
  48   22   23 2
  49   23   24 1