HTS1610-00245597
  

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.1916   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4051   -1.7984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4416   -3.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0220   -1.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9416   -3.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1916    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4905    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8233   -4.4386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4905    2.8333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7896    0.5833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4486   -1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0889   -3.7103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6007    0.4791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9864    1.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0101    1.6333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4200   -4.3759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -4.9867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7303   -1.8647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0192   -1.1495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3651   -0.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  3 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
> 
HTS1610-00245597-01

> 
Namiki1610

> 
NS-000438998-0000

> 
C6H9N3F2

> 
161.155

> 
0

> 
2

> 
1

> 
-8.6850

> 
0.9341

> 
0

> 
-0.6892

> 
1.6872

> 
FC(Cn1nc(cc1C)N)F

> 
KSH2016-02246657 

> 
ZINC12395182

> 
19622837

$$$$