A9975.sdf
  ChemDraw03102511382D

 76 82  0  0  1  0  0  0  0  0999 V2000
   -8.1797   -0.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7611   -1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9361   -1.1126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5297   -0.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9483    0.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7732    0.3093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7048   -0.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2983    0.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7169    1.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5419    1.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2862   -1.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4612   -1.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0548   -0.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4734    0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6926   -1.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2741   -2.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4491   -2.5205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0427   -1.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2177   -1.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8113   -1.0776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2298   -0.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5799   -0.3526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9985    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8234    0.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5920    1.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0106    1.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8356    1.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2420    1.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7549   -0.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3485    0.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7671    1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0305   -3.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2056   -3.2244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7992   -2.5065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4370   -3.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0184   -4.6603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1934   -4.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4248   -5.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0063   -6.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1813   -6.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7749   -5.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4127   -6.8071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9941   -7.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1692   -7.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7627   -6.7931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5314   -6.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9499   -5.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2619   -3.9564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6805   -3.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4765    0.3794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8829    1.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7078    1.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1143    1.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9392    1.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3457    2.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1706    2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5770    3.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0616    4.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4514    4.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0329    5.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2247    5.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8350    4.8118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2534    4.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2567    5.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3359    5.8439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5796    6.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4012    6.9784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8744    4.4761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0468    6.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7648    5.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4757    6.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4687    7.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7508    7.5060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0398    7.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3219    7.4938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1797    7.5181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0      
  3  4  1  0      
  4  5  1  0      
  5  6  1  0      
  6  1  1  0      
  4  7  2  0      
  7  8  1  0      
  8  9  2  0      
  9 10  1  0      
 10  5  2  0      
 11 12  1  0      
 13 14  1  0      
 14  8  1  0      
 11 15  1  0      
 15 16  1  0      
 16 17  1  0      
 17 18  1  0      
 18 12  1  0      
 18 19  1  1      
 19 20  1  0      
 21 20  1  6      
 21 13  1  0      
 22 23  1  0      
 23 24  2  0      
 24 21  1  0      
 23 25  1  0      
 25 26  2  0      
 26 27  1  0      
 27 28  2  0      
 28 24  1  0      
 22 29  1  0      
 29 30  1  0      
 30 31  2  0      
 17 32  1  0      
 32 33  2  0      
 34 19  2  0      
 32 35  1  0      
 35 36  1  0      
 36 37  1  0      
 36 38  2  0      
 38 39  1  0      
 39 40  2  0      
 40 41  1  0      
 41 37  2  0      
 39 42  1  0      
 42 43  1  0      
 44 45  1  0      
 45 40  1  0      
 46 47  1  0      
 47 41  1  0      
 35 48  1  6      
 48 49  1  0      
 30 50  1  0      
 50 51  1  0      
 51 52  1  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 59  1  0      
 59 60  2  0      
 60 61  1  0      
 61 62  2  0      
 62 63  1  0      
 63 58  2  0      
 59 64  1  0      
 64 65  1  0      
 65 66  1  0      
 66 60  1  0      
 66 67  2  0      
 64 68  2  0      
 65 69  1  0      
 69 70  1  0      
 70 71  1  0      
 71 72  1  0      
 72 73  1  0      
 73 74  1  0      
 74 69  1  0      
 74 75  2  0      
 72 76  2  0      
M  END
$$$$
