A9931.sdf
  ChemDraw07092514332D

 79 81  0  0  1  0  0  0  0  0999 V2000
   -1.1809    3.7494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4693    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2480    3.7590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9596    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6769    3.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3885    4.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1058    3.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8175    4.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5347    3.7879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2464    4.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9636    3.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6753    4.2148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9692    2.9726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8119    5.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4748    4.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1113    2.9533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3997    2.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4052    1.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6824    2.9437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    1.2342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9774    0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8023    0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    1.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9505    1.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3308    0.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7887    2.3076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4507    1.2184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4925    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    2.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0072    2.5720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3940    2.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1272   -0.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345   -1.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8160   -1.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4358   -0.9283    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2740   -0.1194    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5852   -1.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4234   -2.5621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3667   -1.4887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9864   -2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7679   -1.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3876   -2.3134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9296   -0.9599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8246   -2.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4443   -3.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2258   -3.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8456   -3.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6838   -4.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9023   -4.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2826   -4.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3035   -5.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7111   -0.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8729    0.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6543    0.3779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2741   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1123   -0.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3308   -1.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0556    0.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6753   -0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5135   -1.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7320   -1.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2531    0.6581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4149    1.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1964    1.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8161    1.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5976    1.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2173    0.9067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7593    2.2603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7952    2.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0137    1.7473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9569    2.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6589    3.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4396    3.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0609    3.3610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5989    4.7132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5628   -2.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2773   -1.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -2.1287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2773   -0.8912    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  1  0      
  5  6  1  0      
  6  7  1  0      
  7  8  1  0      
  8  9  1  0      
  9 10  1  0      
 10 11  1  0      
 11 12  1  0      
 11 13  2  0      
  8 14  2  0      
  2 15  2  0      
  7 16  1  1      
 16 17  1  0      
 18 17  1  6      
 17 19  2  0      
 18 20  1  0      
 20 21  1  0      
 21 22  1  0      
 22 23  1  0      
 23 18  1  0      
 20 24  1  0      
 25 24  1  6      
 24 26  2  0      
 25 27  1  0      
 25 28  1  0      
 27 29  1  0      
 29 30  2  0      
 29 31  1  0      
 33 32  1  1      
 33 34  1  0      
 34 35  1  0      
 35 36  1  0      
 36 28  1  0      
 33 37  1  0      
 37 38  2  0      
 37 39  1  0      
 39 40  1  0      
 40 41  1  0      
 41 42  2  0      
 41 43  1  0      
 40 44  1  1      
 44 45  1  0      
 45 46  1  0      
 46 47  2  0      
 47 48  1  0      
 48 49  2  0      
 49 50  1  0      
 50 45  2  0      
 48 51  1  0      
 43 52  1  0      
 52 53  1  0      
 53 54  2  0      
 55 56  1  0      
 56 57  1  0      
 52 57  1  1      
 55 58  2  0      
 58 59  1  0      
 59 60  2  0      
 60 61  1  0      
 61 56  2  0      
 53 62  1  0      
 62 63  1  0      
 63 64  1  1      
 64 65  1  0      
 65 66  1  0      
 66 67  1  0      
 66 68  2  0      
 63 69  1  0      
 69 70  1  0      
 70 31  1  0      
 69 71  2  0      
 31 72  1  1      
 72 73  1  0      
 73 74  1  0      
 73 75  2  0      
 76 77  1  0      
 77 78  1  0      
 77 79  2  0      
M  END
$$$$
