@<TRIPOS>MOLECULE
REAL300019630840
  42   44    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1            -4.3695     0.7195    -2.9565 C.3     
   2 C2            -3.2279     1.6838    -2.6279 C.3     
   3 O3            -2.0278     0.9418    -2.4019 O.3     
   4 C4            -0.9117     1.6527    -2.0965 C.ar    
   5 C5             0.2884     0.9924    -1.8649 C.ar    
   6 C6             1.4244     1.7103    -1.5607 C.ar    
   7 C7             1.3669     3.1036    -1.4796 C.ar    
   8 C8             2.5818     3.8770    -1.1534 C.2     
   9 N9             2.6327     5.1767    -1.0595 N.2     
  10 C10            3.7860     5.7106    -0.7577 C.2     
  11 C11            3.9887     7.1967    -0.6111 C.3     
  12 C12            4.3737     7.7950    -1.9656 C.3     
  13 C13            4.7956     4.8006    -0.5920 C.2     
  14 C14            6.1881     5.1075    -0.2579 C.2     
  15 O15            6.5761     6.2610    -0.2669 O.2     
  16 N16            7.0399     4.1124     0.0596 N.am    
  17 C17            6.5765     2.7226     0.0567 C.3     
  18 C18            8.3538     4.4039     0.3888 C.2     
  19 N19            8.9157     5.6106     0.4283 N.2     
  20 N20           10.1464     5.4542     0.7792 N.2     
  21 N21           10.3809     4.2006     0.9532 N.2     
  22 N22            9.3033     3.5316     0.7218 N.pl3   
  23 S23            4.1199     3.1945    -0.8533 S.3     
  24 C24            0.1569     3.7633    -1.7075 C.ar    
  25 C25           -0.9745     3.0379    -2.0112 C.ar    
  26 H26           -4.1190     0.1519    -3.8528 H       
  27 H27           -4.5177     0.0341    -2.1220 H       
  28 H28           -5.2849     1.2855    -3.1289 H       
  29 H29           -3.4784     2.2514    -1.7317 H       
  30 H30           -3.0797     2.3692    -3.4624 H       
  31 H31            0.3321    -0.0849    -1.9278 H       
  32 H32            2.3581     1.1966    -1.3856 H       
  33 H33            3.0649     7.6566    -0.2601 H       
  34 H34            4.7850     7.3855     0.1090 H       
  35 H35            3.5775     7.6062    -2.6857 H       
  36 H36            4.5204     8.8698    -1.8596 H       
  37 H37            5.2975     7.3351    -2.3166 H       
  38 H38            6.6210     2.3270    -0.9580 H       
  39 H39            7.2148     2.1254     0.7078 H       
  40 H40            5.5490     2.6815     0.4180 H       
  41 H41            0.1083     4.8404    -1.6454 H       
  42 H42           -1.9104     3.5472    -2.1875 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   26 1
   3    1   27 1
   4    1   28 1
   5    2    3 1
   6    2   29 1
   7    2   30 1
   8    3    4 1
   9    4   25 ar
  10    4    5 ar
  11    5    6 ar
  12    5   31 1
  13    6    7 ar
  14    6   32 1
  15    7    8 1
  16    7   24 ar
  17    8   23 1
  18    8    9 2
  19    9   10 1
  20   10   11 1
  21   10   13 2
  22   11   12 1
  23   11   33 1
  24   11   34 1
  25   12   35 1
  26   12   36 1
  27   12   37 1
  28   13   14 1
  29   13   23 1
  30   14   15 2
  31   14   16 am
  32   16   17 1
  33   16   18 1
  34   17   38 1
  35   17   39 1
  36   17   40 1
  37   18   22 1
  38   18   19 2
  39   19   20 1
  40   20   21 2
  41   21   22 1
  42   24   25 ar
  43   24   41 1
  44   25   42 1