@<TRIPOS>MOLECULE
REAL300009850741
  39   40    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1             0.1165     3.5254     2.0500 O.co2   
   2 C2            -0.0806     4.3677     1.1908 C.2     
   3 O3            -0.9691     5.1900     1.3357 O.co2   
   4 C4             0.7739     4.3925    -0.0502 C.3     
   5 C5             1.7867     3.2790     0.0225 C.2     
   6 O6             2.9668     3.5385     0.1270 O.2     
   7 N7             1.3811     1.9947    -0.0287 N.am    
   8 C8            -0.0160     1.5380    -0.0605 C.3     
   9 C9             0.0069    -0.0048    -0.0897 C.3     
  10 C10            1.4024    -0.3429     0.4982 C.3     
  11 C11            1.9005    -1.6956    -0.0146 C.3     
  12 B12            0.9820    -2.8385     0.5468 Du      
  13 O13            0.7893    -4.0280    -0.2044 O.3     
  14 O14            0.3439    -2.6826     1.8058 O.3     
  15 C15            2.2650     0.8152    -0.0626 C.3     
  16 C16           -0.1133     4.1856    -1.2743 C.3     
  17 C17            0.7532     3.9351    -2.5113 C.3     
  18 S18            1.7637     5.4120    -2.8289 S.3     
  19 C19            2.5745     5.6758    -1.2238 C.3     
  20 C20            1.5030     5.7303    -0.1317 C.3     
  21 H21           -0.5101     1.9184    -0.9544 H       
  22 H22           -0.5395     1.8841     0.8307 H       
  23 H23           -0.7852    -0.4142     0.5374 H       
  24 H24           -0.0803    -0.3725    -1.1121 H       
  25 H25            1.3826    -0.3231     1.5878 H       
  26 H26            1.8680    -1.7056    -1.1040 H       
  27 H27            2.9254    -1.8560     0.3199 H       
  28 H28            0.2083    -4.6728     0.2221 H       
  29 H29           -0.2005    -3.4380     2.0670 H       
  30 H30            3.1386     0.9776     0.5686 H       
  31 H31            2.5704     0.5994    -1.0864 H       
  32 H32           -0.7642     3.3271    -1.1085 H       
  33 H33           -0.7232     5.0748    -1.4336 H       
  34 H34            0.1134     3.7385    -3.3716 H       
  35 H35            1.4037     3.0782    -2.3365 H       
  36 H36            3.1247     6.6166    -1.2428 H       
  37 H37            3.2619     4.8547    -1.0204 H       
  38 H38            0.7875     6.5187    -0.3657 H       
  39 H39            1.9759     5.9437     0.8269 H       
@<TRIPOS>BOND
   1    1    2 ar
   2    2    3 ar
   3    2    4 1
   4    4   20 1
   5    4    5 1
   6    4   16 1
   7    5    6 2
   8    5    7 am
   9    7   15 1
  10    7    8 1
  11    8    9 1
  12    8   21 1
  13    8   22 1
  14    9   10 1
  15    9   23 1
  16    9   24 1
  17   10   11 1
  18   10   15 1
  19   10   25 1
  20   11   12 1
  21   11   26 1
  22   11   27 1
  23   12   13 1
  24   12   14 1
  25   13   28 1
  26   14   29 1
  27   15   30 1
  28   15   31 1
  29   16   17 1
  30   16   32 1
  31   16   33 1
  32   17   18 1
  33   17   34 1
  34   17   35 1
  35   18   19 1
  36   19   20 1
  37   19   36 1
  38   19   37 1
  39   20   38 1
  40   20   39 1