B5591.sdf
  ChemDraw07171714462D

 62 70  0  0  0  0  0  0  0  0999 V2000
   -6.0482   -4.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6922   -4.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9148   -4.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3170   -5.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4119   -3.8341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1083   -5.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6698   -3.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8785   -3.1538    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6023   -2.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7910   -2.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5148   -1.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7034   -1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0499   -0.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7737   -0.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9624    0.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4272   -0.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6159   -0.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3397    0.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5284    0.5538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2522    1.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5592    1.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0943    0.8528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8181    0.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0068   -0.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9057    1.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1819    1.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9932    1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2694    2.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0807    2.8561    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    4.2302    2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0076    1.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1571    0.9572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292    0.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7519    0.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6024    1.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8921    3.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1683    3.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9796    3.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5148    3.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2386    2.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4272    2.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9312    3.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1538    3.9437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0043    4.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6322    5.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4096    5.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5591    4.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8748    1.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6862    0.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5948    0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2037   -0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9902   -0.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1680    0.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5591    1.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7726    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0613    1.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4440    0.7120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9814    2.0805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8613   -0.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1375   -1.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5148   -4.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    3.3241    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  1  0      
  3  4  1  0      
  3  5  1  0      
  3  6  1  0      
  2  7  1  0      
  7  8  1  0      
  5  8  1  0      
  8  9  1  0      
  9 10  2  0      
 10 11  1  0      
 11 12  1  0      
 11 13  2  0      
 13 14  1  0      
 14 15  1  0      
 15 16  2  0      
 12 16  1  0      
 16 17  1  0      
 17 18  2  0      
 18 19  1  0      
 19 20  1  0      
 20 21  1  0      
 21 22  1  0      
 22 23  1  0      
 23 24  1  0      
 19 24  1  0      
 22 25  1  0      
 25 26  1  0      
 26 27  1  0      
 27 28  1  0      
 28 29  1  0      
 29 30  1  0      
 30 31  2  0      
 31 32  1  0      
 32 33  2  0      
 33 34  1  0      
 34 35  2  0      
 30 35  1  0      
 29 36  1  0      
 36 37  2  0      
 37 38  1  0      
 38 39  2  0      
 39 40  1  0      
 40 41  2  0      
 36 41  1  0      
 29 42  1  0      
 42 43  2  0      
 43 44  1  0      
 44 45  2  0      
 45 46  1  0      
 46 47  2  0      
 42 47  1  0      
 18 48  1  0      
 48 49  2  0      
 15 49  1  0      
 14 50  1  0      
 50 51  2  0      
 51 52  1  0      
 52 53  2  0      
 53 54  1  0      
 54 55  2  0      
 50 55  1  0      
 55 56  1  0      
 56 57  1  0      
 14 57  1  0      
 56 58  2  0      
 13 59  1  0      
 59 60  2  0      
  9 60  1  0      
  2 61  1  0      
M  CHG  2  29   1  62  -1
M  END
$$$$
