@<TRIPOS>MOLECULE
REAL300009850850
  45   47    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1            -1.2972     6.9726    -9.2748 O.co2   
   2 C2            -2.4661     7.3069    -9.1826 C.2     
   3 O3            -2.7693     8.4864    -9.2410 O.co2   
   4 C4            -3.5361     6.2621    -8.9965 C.3     
   5 O5            -2.9351     4.9662    -8.9593 O.3     
   6 C6            -3.8679     3.8977    -8.7852 C.3     
   7 C7            -3.1289     2.5846    -8.7605 C.2     
   8 C8            -2.6227     1.9606    -7.6621 C.2     
   9 C9            -2.6942     2.4419    -6.2705 C.2     
  10 O10           -3.2484     3.4948    -6.0190 O.2     
  11 N11           -2.1453     1.7151    -5.2771 N.am    
  12 C12           -1.4466     0.4259    -5.4395 C.3     
  13 C13           -1.5621    -0.2701    -4.0578 C.3     
  14 C14           -1.4545     0.9313    -3.1012 C.3     
  15 C15           -0.0602     1.2227    -2.5565 C.3     
  16 C16           -0.7527     1.5927    -1.2315 C.3     
  17 C17           -0.0127     1.0858     0.0080 C.3     
  18 B18           -0.7476     1.5921     1.2997 Du      
  19 O19           -0.3836     2.8348     1.8827 O.3     
  20 O20           -1.7762     0.8075     1.8851 O.3     
  21 C21           -1.9177     0.6845    -1.6677 C.3     
  22 C22           -2.1441     2.0759    -3.8485 C.3     
  23 N23           -2.0330     0.8117    -8.0908 N.2     
  24 C24           -2.1772     0.7309    -9.3796 C.2     
  25 O25           -2.8438     1.8082    -9.8180 O.3     
  26 H26           -4.2409     6.3121    -9.8265 H       
  27 H27           -4.0636     6.4451    -8.0604 H       
  28 H28           -4.5796     3.8986    -9.6107 H       
  29 H29           -4.4023     4.0316    -7.8446 H       
  30 H30           -1.9333    -0.1746    -6.2080 H       
  31 H31           -0.3997     0.5919    -5.6937 H       
  32 H32           -0.7404    -0.9691    -3.9020 H       
  33 H33           -2.5247    -0.7703    -3.9510 H       
  34 H34            0.4326     2.0646    -3.0428 H       
  35 H35            0.5771     0.3412    -2.4862 H       
  36 H36           -1.0240     2.6460    -1.1607 H       
  37 H37            0.0021    -0.0041     0.0020 H       
  38 H38            1.0099     1.4631     0.0003 H       
  39 H39           -0.8910     3.0616     2.6740 H       
  40 H40           -2.1691     1.2009     2.6762 H       
  41 H41           -1.8100    -0.3511    -1.3450 H       
  42 H42           -2.9017     1.0985    -1.4473 H       
  43 H43           -3.1679     2.1898    -3.4923 H       
  44 H44           -1.5922     3.0040    -3.6994 H       
  45 H45           -1.8132    -0.0745   -10.0003 H       
@<TRIPOS>BOND
   1    1    2 ar
   2    2    3 ar
   3    2    4 1
   4    4    5 1
   5    4   26 1
   6    4   27 1
   7    5    6 1
   8    6    7 1
   9    6   28 1
  10    6   29 1
  11    7   25 1
  12    7    8 2
  13    8    9 1
  14    8   23 1
  15    9   10 2
  16    9   11 am
  17   11   22 1
  18   11   12 1
  19   12   13 1
  20   12   30 1
  21   12   31 1
  22   13   14 1
  23   13   32 1
  24   13   33 1
  25   14   21 1
  26   14   15 1
  27   14   22 1
  28   15   16 1
  29   15   34 1
  30   15   35 1
  31   16   17 1
  32   16   21 1
  33   16   36 1
  34   17   18 1
  35   17   37 1
  36   17   38 1
  37   18   19 1
  38   18   20 1
  39   19   39 1
  40   20   40 1
  41   21   41 1
  42   21   42 1
  43   22   43 1
  44   22   44 1
  45   23   24 2
  46   24   25 1
  47   24   45 1