A8769.sdf
  ChemDraw07041809132D

 46 48  0  0  0  0  0  0  0  0999 V2000
   -0.9731    1.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3226    0.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4394    0.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0942    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8562    0.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5599    0.2409    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1869    0.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8708    1.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483    1.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0049    0.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5068    1.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1906    2.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3726    2.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5140    2.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    2.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6681   -0.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3229   -1.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2157   -1.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7184   -2.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6112   -3.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1138   -4.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7986   -4.7856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9289   -3.9154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2723    3.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7768    2.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4637    1.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6462    1.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1417    2.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4548    3.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1812    1.0563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3894    1.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6858    2.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4695    2.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    0.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7338    0.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9266   -0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6924    2.7415    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3450    2.2414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1925    3.3941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0399    3.2416    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.5843    4.0250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3450    3.7130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8237    4.3370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8963    4.7856    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1352   -1.7493    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  2  0      
  6  7  1  0      
  7  8  2  0      
  8  9  1  0      
  9  5  1  0      
  7 10  1  0      
 10 11  2  0      
 11 12  1  0      
 12 13  2  0      
 13  8  1  0      
  9 14  1  0      
  9 15  1  0      
  6 16  1  0      
 16 17  1  0      
 17 18  1  0      
 18 19  1  0      
 19 20  1  0      
 20 21  1  0      
 21 22  1  0      
 21 23  2  0      
 24 25  2  0      
 25 26  1  0      
 26 27  2  0      
 27 28  1  0      
 28 29  2  0      
 29 24  1  0      
 27 30  1  0      
 30 31  1  0      
 31 32  1  0      
 32 28  1  0      
 32 33  1  0      
 32 34  1  0      
 30 35  1  0      
  1 36  1  0      
 31 36  2  0      
 35 37  1  0      
 12 38  1  0      
 38 39  2  0      
 38 40  2  0      
 38 41  1  0      
 24 42  1  0      
 42 43  2  0      
 42 44  2  0      
 42 45  1  0      
M  CHG  4   6   1  41  -1  45  -1  46   1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  38  39  40  41
M  SBL   1  1  41
M  SMT   1 SO3
M  SBV   1  41   -0.5018   -0.6548
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  4  42  43  44  45
M  SBL   2  1  45
M  SMT   2 ^SO3
M  SBV   2  45    0.3120   -0.7606
M  END
$$$$
