@<TRIPOS>MOLECULE
REAL300009850769
  47   48    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1            -0.5685     5.3178    -3.0101 C.3     
   2 C2            -0.5767     4.0584    -3.8788 C.3     
   3 C3            -0.4758     4.2960    -5.3869 C.3     
   4 C4            -1.4280     2.8788    -3.4049 C.3     
   5 C5            -2.1133     2.0270    -4.4753 C.3     
   6 C6            -2.2060     3.0483    -2.0984 C.3     
   7 C7             0.0976     2.8064    -3.3142 C.3     
   8 C8             0.8102     1.9012    -4.2858 C.2     
   9 O9             0.4734     0.7342    -4.3910 O.co2   
  10 O10            1.7236     2.3359    -4.9665 O.co2   
  11 C11            0.7189     2.9081    -1.9451 C.2     
  12 O12            1.4068     3.8657    -1.6609 O.2     
  13 N13            0.5102     1.9350    -1.0363 N.am    
  14 C14           -0.4006     0.8199    -1.3294 C.3     
  15 C15            0.3426    -0.5003    -1.1027 C.3     
  16 C16            0.9216    -0.5143     0.3173 C.3     
  17 C17            1.6372    -1.8443     0.5617 C.3     
  18 B18            0.5923    -3.0155     0.5239 Du      
  19 O19            0.9901    -4.3083     0.0915 O.3     
  20 O20           -0.7506    -2.7820     0.9222 O.3     
  21 C21            1.9169     0.6372     0.4774 C.3     
  22 C22            1.1894     1.9687     0.2661 C.3     
  23 H23            0.0750     6.0699    -3.4666 H       
  24 H24           -1.5826     5.7090    -2.9278 H       
  25 H25           -0.1922     5.0719    -2.0172 H       
  26 H26           -0.8379     3.4159    -5.9184 H       
  27 H27           -1.0815     5.1601    -5.6599 H       
  28 H28            0.5639     4.4811    -5.6568 H       
  29 H29           -2.6813     1.2294    -3.9963 H       
  30 H30           -2.7875     2.6523    -5.0605 H       
  31 H31           -1.3593     1.5925    -5.1316 H       
  32 H32           -1.5061     3.1764    -1.2727 H       
  33 H33           -2.8486     3.9259    -2.1695 H       
  34 H34           -2.8177     2.1635    -1.9223 H       
  35 H35           -1.2653     0.8708    -0.6677 H       
  36 H36           -0.7302     0.8803    -2.3666 H       
  37 H37           -0.3498    -1.3332    -1.2251 H       
  38 H38            1.1527    -0.5907    -1.8263 H       
  39 H39            0.1133    -0.3987     1.0394 H       
  40 H40            2.3871    -2.0013    -0.2136 H       
  41 H41            2.1225    -1.8218     1.5374 H       
  42 H42            0.2785    -4.9629     0.1025 H       
  43 H43           -1.3191    -3.5622     0.8649 H       
  44 H44            2.7122     0.5359    -0.2610 H       
  45 H45            2.3448     0.6114     1.4796 H       
  46 H46            1.9109     2.7856     0.2808 H       
  47 H47            0.4547     2.1158     1.0577 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   23 1
   3    1   24 1
   4    1   25 1
   5    2    7 1
   6    2    3 1
   7    2    4 1
   8    3   26 1
   9    3   27 1
  10    3   28 1
  11    4    5 1
  12    4    6 1
  13    4    7 1
  14    5   29 1
  15    5   30 1
  16    5   31 1
  17    6   32 1
  18    6   33 1
  19    6   34 1
  20    7    8 1
  21    7   11 1
  22    8    9 ar
  23    8   10 ar
  24   11   12 2
  25   11   13 am
  26   13   22 1
  27   13   14 1
  28   14   15 1
  29   14   35 1
  30   14   36 1
  31   15   16 1
  32   15   37 1
  33   15   38 1
  34   16   17 1
  35   16   21 1
  36   16   39 1
  37   17   18 1
  38   17   40 1
  39   17   41 1
  40   18   19 1
  41   18   20 1
  42   19   42 1
  43   20   43 1
  44   21   22 1
  45   21   44 1
  46   21   45 1
  47   22   46 1
  48   22   47 1