@<TRIPOS>MOLECULE
REAL300018320923
  50   52    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1             8.1603     0.1998    -4.1808 O.co2   
   2 C2             7.3683     1.0551    -3.8234 C.2     
   3 O3             7.0826     1.9728    -4.5735 O.co2   
   4 C4             6.7425     0.9780    -2.4547 C.3     
   5 C5             6.6652     2.3815    -1.8496 C.3     
   6 C6             6.0605     2.2950    -0.4447 C.3     
   7 N7             4.7678     1.6018    -0.5281 N.am    
   8 C8             3.6528     2.1646    -0.0216 C.2     
   9 O9             3.6888     3.2991     0.4146 O.2     
  10 C10            2.3889     1.4043     0.0037 C.ar    
  11 C11            1.1865     2.0330    -0.3327 C.ar    
  12 C12            0.0091     1.3211    -0.3081 C.ar    
  13 C13            0.0145    -0.0238     0.0517 C.ar    
  14 N14           -1.1768    -0.7404     0.0755 N.pl3   
  15 C15           -1.1728    -2.1557     0.4539 C.3     
  16 C16           -2.5793    -2.6941     0.3999 C.ar    
  17 C17           -3.3115    -2.8320     1.5609 C.ar    
  18 C18           -4.6053    -3.3208     1.5121 C.ar    
  19 C19           -5.1676    -3.6846     0.3015 C.ar    
  20 C20           -4.4422    -3.5562    -0.8654 C.ar    
  21 C21           -3.1409    -3.0591    -0.8227 C.ar    
  22 B22           -2.3106    -2.9101    -2.1469 Du      
  23 O23           -0.9851    -2.4029    -2.1005 O.3     
  24 O24           -2.8852    -3.2826    -3.3909 O.3     
  25 C25            1.2102    -0.6526     0.3881 C.ar    
  26 C26            2.3910     0.0538     0.3650 C.ar    
  27 C27            4.7147     0.2806    -1.1688 C.3     
  28 C28            5.3334     0.3922    -2.5705 C.3     
  29 H29            7.3496     0.3390    -1.8134 H       
  30 H30            6.0378     3.0143    -2.4773 H       
  31 H31            7.6666     2.8078    -1.7890 H       
  32 H32            5.9116     3.2994    -0.0484 H       
  33 H33            6.7314     1.7394     0.2106 H       
  34 H34            1.1817     3.0762    -0.6123 H       
  35 H35           -0.9195     1.8050    -0.5726 H       
  36 H36           -2.0105    -0.3033    -0.1584 H       
  37 H37           -0.5429    -2.7150    -0.2378 H       
  38 H38           -0.7824    -2.2600     1.4663 H       
  39 H39           -2.8759    -2.5537     2.5092 H       
  40 H40           -5.1766    -3.4230     2.4230 H       
  41 H41           -6.1762    -4.0694     0.2696 H       
  42 H42           -4.8820    -3.8407    -1.8098 H       
  43 H43           -0.5547    -2.3478    -2.9647 H       
  44 H44           -2.2985    -3.1553    -4.1490 H       
  45 H45            1.2112    -1.6959     0.6672 H       
  46 H46            3.3182    -0.4345     0.6261 H       
  47 H47            5.2789    -0.4372    -0.5734 H       
  48 H48            3.6775    -0.0444    -1.2506 H       
  49 H49            4.7185     1.0437    -3.1915 H       
  50 H50            5.3871    -0.5977    -3.0236 H       
@<TRIPOS>BOND
   1    1    2 ar
   2    2    3 ar
   3    2    4 1
   4    4   28 1
   5    4    5 1
   6    4   29 1
   7    5    6 1
   8    5   30 1
   9    5   31 1
  10    6    7 1
  11    6   32 1
  12    6   33 1
  13    7    8 am
  14    7   27 1
  15    8    9 2
  16    8   10 1
  17   10   26 ar
  18   10   11 ar
  19   11   12 ar
  20   11   34 1
  21   12   13 ar
  22   12   35 1
  23   13   14 1
  24   13   25 ar
  25   14   15 1
  26   14   36 1
  27   15   16 1
  28   15   37 1
  29   15   38 1
  30   16   21 ar
  31   16   17 ar
  32   17   18 ar
  33   17   39 1
  34   18   19 ar
  35   18   40 1
  36   19   20 ar
  37   19   41 1
  38   20   21 ar
  39   20   42 1
  40   21   22 1
  41   22   23 1
  42   22   24 1
  43   23   43 1
  44   24   44 1
  45   25   26 ar
  46   25   45 1
  47   26   46 1
  48   27   28 1
  49   27   47 1
  50   27   48 1
  51   28   49 1
  52   28   50 1