@<TRIPOS>MOLECULE
REAL300009850824
  42   44    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1            -3.6815    -4.6086    -3.6407 O.co2   
   2 C2            -3.9050    -3.9333    -2.6457 C.2     
   3 O3            -4.9824    -4.0246    -2.0740 O.co2   
   4 C4            -2.8758    -3.0094    -2.1355 C.2     
   5 N5            -2.9838    -2.2259    -1.0777 N.2     
   6 N6            -1.9037    -1.5522    -0.9055 N.pl3   
   7 C7            -1.0001    -1.8630    -1.8842 C.2     
   8 C8             0.3527    -1.3036    -2.0405 C.2     
   9 O9             1.2766    -2.0270    -2.3603 O.2     
  10 N10            0.5672     0.0101    -1.8292 N.am    
  11 C11           -0.5577     0.9154    -1.5601 C.3     
  12 C12           -0.5269     2.0580    -2.5818 C.3     
  13 C13            0.8614     2.6952    -2.5795 C.3     
  14 C14            1.1369     3.5585    -1.3418 C.3     
  15 C15            1.8303     4.5523    -2.2896 C.3     
  16 C16            1.5365     6.0178    -1.9624 C.3     
  17 B17            2.5732     6.5354    -0.9031 Du      
  18 O18            2.9520     7.9039    -0.8903 O.3     
  19 O19            3.1321     5.6352     0.0422 O.3     
  20 C20            0.9447     3.9820    -3.4109 C.3     
  21 C21            1.9768     1.6981    -2.8879 C.3     
  22 C22            1.9297     0.5581    -1.8639 C.3     
  23 C23           -1.5949    -2.7996    -2.6874 C.2     
  24 H24           -1.7523    -0.9157    -0.1893 H       
  25 H25           -0.4661     1.3229    -0.5533 H       
  26 H26           -1.4964     0.3689    -1.6513 H       
  27 H27           -0.7456     1.6649    -3.5746 H       
  28 H28           -1.2719     2.8070    -2.3133 H       
  29 H29            0.2347     3.9554    -0.8763 H       
  30 H30            1.8140     3.0924    -0.6260 H       
  31 H31            2.8929     4.3537    -2.4290 H       
  32 H32            1.6155     6.6157    -2.8704 H       
  33 H33            0.5285     6.1045    -1.5568 H       
  34 H34            3.5945     8.1278    -0.2031 H       
  35 H35            3.7598     6.0455     0.6527 H       
  36 H36            1.4672     3.8564    -4.3592 H       
  37 H37           -0.0106     4.4960    -3.5173 H       
  38 H38            2.9419     2.2013    -2.8286 H       
  39 H39            1.8369     1.2935    -3.8903 H       
  40 H40            2.1948     0.9408    -0.8784 H       
  41 H41            2.6308    -0.2240    -2.1553 H       
  42 H42           -1.1721    -3.2771    -3.5590 H       
@<TRIPOS>BOND
   1    1    2 ar
   2    2    3 ar
   3    2    4 1
   4    4   23 1
   5    4    5 2
   6    5    6 1
   7    6    7 1
   8    6   24 1
   9    7    8 1
  10    7   23 2
  11    8    9 2
  12    8   10 am
  13   10   22 1
  14   10   11 1
  15   11   12 1
  16   11   25 1
  17   11   26 1
  18   12   13 1
  19   12   27 1
  20   12   28 1
  21   13   20 1
  22   13   14 1
  23   13   21 1
  24   14   15 1
  25   14   29 1
  26   14   30 1
  27   15   16 1
  28   15   20 1
  29   15   31 1
  30   16   17 1
  31   16   32 1
  32   16   33 1
  33   17   18 1
  34   17   19 1
  35   18   34 1
  36   19   35 1
  37   20   36 1
  38   20   37 1
  39   21   22 1
  40   21   38 1
  41   21   39 1
  42   22   40 1
  43   22   41 1
  44   23   42 1