B8823.sdf
  ChemDraw09122410252D

 93100  0  0  0  0  0  0  0  0999 V2000
    2.3239    7.3244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0004    6.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4960    5.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3149    6.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6384    6.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1429    7.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1814    6.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580    5.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3535    5.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1725    5.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1949    4.2380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9159    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201    4.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4467    3.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2284    4.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3297    4.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0289    5.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4574    6.8635    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8283    7.9840    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0152    3.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7742    2.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8735    1.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6325    1.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7318    0.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4908    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6752   -0.3945    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4970   -0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8204    0.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1986    0.8335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9925   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8115   -1.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1350   -0.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6394    0.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9540   -0.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2774    0.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7819    1.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9629    1.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2717    1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9639    1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4495   -0.8292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1053    2.0079    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1331   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2576   -1.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6311   -2.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5670   -3.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8996   -3.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8269   -4.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0458   -4.7634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4758   -5.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2962   -4.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5600   -4.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1974   -4.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8843   -4.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6155   -4.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3120   -4.9810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2774   -5.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5462   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8497   -5.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6501   -3.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9739   -6.2474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4803   -7.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2020   -6.6102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8051   -7.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4562   -7.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6374   -7.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4203   -8.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5001   -8.6332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4909   -6.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2969   -6.8902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6470    8.0860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0144    7.8491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1473    8.7448    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7555    7.6328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8914    6.1619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2789    6.9397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6846    2.7176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5172    1.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8987    2.2341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2441   -0.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6470   -1.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2471   -1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1219   -6.8961    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -6.8593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7710   -6.8488    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5959   -6.8346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7552   -6.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7834   -7.6738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4202   -6.8014    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2441   -6.7582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3820   -5.9773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4584   -7.6255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1374   -7.7210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1065   -6.0713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  1  0      
  3  4  1  0      
  4  5  2  0      
  5  6  1  0      
  6  1  2  0      
  2  7  2  0      
  7  8  1  0      
  8  9  2  0      
  9 10  1  0      
 10  3  2  0      
  9 11  1  0      
 11 12  1  0      
 12 13  1  0      
 13 10  1  0      
 11 14  1  0      
 14 15  1  0      
 13 16  1  0      
 13 17  1  0      
  5 18  1  0      
  1 19  1  0      
 12 20  2  0      
 20 21  1  0      
 21 22  2  0      
 22 23  1  0      
 23 24  2  0      
 24 25  1  0      
 25 26  2  0      
 26 27  1  0      
 27 28  2  0      
 28 29  1  0      
 29 25  1  0      
 27 30  1  0      
 30 31  2  0      
 31 32  1  0      
 32 33  2  0      
 33 28  1  0      
 32 34  1  0      
 34 35  2  0      
 35 36  1  0      
 36 37  2  0      
 37 33  1  0      
 29 38  1  0      
 29 39  1  0      
 34 40  1  0      
 36 41  1  0      
 26 42  1  0      
 42 43  1  0      
 43 44  1  0      
 44 45  1  0      
 45 46  1  0      
 46 47  1  0      
 47 48  1  0      
 47 49  2  0      
 48 50  1  0      
 50 51  1  0      
 51 52  2  0      
 52 53  1  0      
 53 54  1  0      
 54 55  1  0      
 55 56  1  0      
 56 57  1  0      
 57 58  1  0      
 58 53  2  0      
 54 59  2  0      
 56 60  2  0      
 57 61  1  0      
 61 62  1  0      
 62 63  1  0      
 63 64  1  0      
 64 65  1  0      
 65 61  1  0      
 64 66  1  0      
 65 67  1  0      
 63 68  1  0      
 68 69  1  0      
 19 70  2  0      
 19 71  2  0      
 19 72  1  0      
 18 73  2  0      
 18 74  2  0      
 18 75  1  0      
 41 76  2  0      
 41 77  2  0      
 41 78  1  0      
 40 79  2  0      
 40 80  2  0      
 40 81  1  0      
 69 82  1  0      
 82 83  1  0      
 83 84  1  0      
 84 85  1  0      
 84 86  2  0      
 84 87  1  0      
 85 88  1  0      
 88 89  1  0      
 88 90  2  0      
 88 91  1  0      
 82 92  1  0      
 82 93  2  0      
M  CHG  2  26   1  72  -1
M  END
$$$$
