HTS1710-04536630
  

 31 32  0  0  0  0  0  0  0  0999 V2000
    2.3100    2.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4283    1.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    2.7495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8465    4.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2736    4.1761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0385    0.1657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3349   -0.8910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1567   -1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0600    5.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2167   -2.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7084   -1.9477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0818   -3.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5902   -3.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9636   -4.2181    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6920   -1.6343    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7669   -2.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8853   -3.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6066   -3.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0600    6.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759    4.3615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6352    0.1030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6785   -2.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0510   -3.4245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7557   -3.7381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3636   -2.4807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1293   -4.1799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9593   -3.9602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4691    6.6619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0600    7.1577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6509    6.6619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  2  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  2  0  0  0  0
 12 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
 17  8  1  0  0  0  0
 18 17  2  0  0  0  0
 19 10  2  0  0  0  0
 20  9  1  0  0  0  0
  5  9  2  0  0  0  0
 19 18  1  0  0  0  0
  4 21  1  0  0  0  0
  6 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  END
> 
HTS1710-04536630-01

> 
Namiki1710

> 
NS-020028208-0000

> 
C12H11N3O3F2

> 
283.234

> 
0

> 
1

> 
5

> 
0

> 
77.2500

> 
-9.2761

> 
-0.8956

> 
1.516

> 
-2.925

> 
FC(COc2cccc(n2)NC(c1onc(c1)C)=O)F

> 
84595240

$$$$