B5418.sdf
  ChemDraw07171711222D

 91 95  0  0  0  0  0  0  0  0999 V2000
    5.7341   -6.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9589   -5.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3839   -4.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6087   -4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0336   -3.5485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2338   -3.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0090   -4.5445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6588   -3.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8589   -3.3614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2839   -2.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5087   -1.9760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4841   -2.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9090   -2.3805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1092   -2.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1156   -3.3765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4659   -1.9911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2657   -2.1933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8407   -1.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6159   -0.8080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6406   -1.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2156   -1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0154   -1.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2402   -2.2084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5905   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7906   -0.6208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2389   -1.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9244   -0.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6996   -0.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8752   -0.0487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4161    0.6367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5912    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9935    1.3453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5166   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7121   -0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2895    0.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8328    0.9499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6080    1.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1831    2.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    3.1290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1584    3.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5834    2.7397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9337    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5087    4.7166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3085    4.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    3.7206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8836    5.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586    3.5335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1338    4.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9090    5.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1092    5.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1156    6.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9154    6.3192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4079    1.5415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9829    2.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5579    2.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3578    2.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9328    3.1140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7327    2.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3077    3.5033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9575    2.1180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8082    1.9459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8184    1.3570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6906   -2.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2411   -1.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5588   -0.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7836   -0.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5834    0.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1584   -0.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9337   -1.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1338   -1.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7089   -2.1783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2593   -3.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8343   -4.3574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4340   -3.9530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8836   -2.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6834   -2.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9082   -1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7080   -1.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9328   -0.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327   -0.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3077   -0.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0829   -1.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2831   -1.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0583   -2.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2584   -2.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8335   -3.3463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4085   -3.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9836   -4.5295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6333   -3.1441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5901   -4.7091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7923   -5.5089    0.0000 C   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  2  0      
  6  7  1  0      
  6  8  1  0      
  8  9  1  0      
  9 10  2  0      
 10 11  1  0      
 10 12  1  0      
 12 13  1  0      
 13 14  2  0      
 14 15  1  0      
 14 16  1  0      
 16 17  1  0      
 17 18  2  0      
 18 19  1  0      
 18 20  1  0      
 20 21  1  0      
 21 22  2  0      
 22 23  1  0      
 24 22  1  6      
 24 25  1  1      
 24 26  1  0      
 26 27  1  0      
 27 28  1  0      
 28 29  1  0      
 24 29  1  0      
 29 30  1  0      
 31 30  1  1      
 31 32  1  6      
 31 33  1  0      
 33 34  1  0      
 34 35  1  0      
 35 36  1  0      
 31 36  1  0      
 36 37  1  0      
 37 38  1  0      
 38 39  1  0      
 39 40  2  0      
 40 41  1  0      
 40 42  1  0      
 42 43  1  0      
 43 44  2  0      
 44 45  1  0      
 44 46  1  0      
 42 47  1  6      
 42 48  1  0      
 48 49  1  0      
 49 50  1  0      
 50 51  1  0      
 51 52  1  0      
 38 53  1  1      
 38 54  1  0      
 54 55  1  0      
 55 56  1  0      
 56 57  1  0      
 57 58  1  0      
 58 59  1  0      
 58 60  2  0      
 37 61  2  0      
 30 62  2  0      
 16 63  1  6      
 16 64  1  0      
 64 65  1  0      
 65 66  2  0      
 66 67  1  0      
 67 68  2  0      
 68 69  1  0      
 69 70  2  0      
 65 70  1  0      
 12 71  1  1      
 12 72  1  0      
 72 73  1  0      
  8 74  1  1      
  8 75  1  0      
 75 76  1  0      
 76 77  2  0      
 77 78  1  0      
 78 79  2  0      
 79 80  1  0      
 80 81  2  0      
 81 82  1  0      
 82 83  2  0      
 78 83  1  0      
 83 84  1  0      
 84 85  2  0      
 76 85  1  0      
  4 86  1  1      
  4 87  1  0      
 87 88  1  0      
 87 89  2  0      
  3 90  1  1      
  3 91  1  6      
M  END
$$$$
