HTS2204-01076016
  

 32 33  0  0  0  0  0  0  0  0999 V2000
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    1.3837    3.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1300    1.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3800    2.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0531    3.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6421    4.2438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3669    3.9800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2330    3.2204    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  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9 14  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13  9  2  0  0  0  0
 14 11  1  0  0  0  0
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 16  8  2  0  0  0  0
 17  9  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
  5  4  1  0  0  0  0
 15 10  2  0  0  0  0
  3 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  8 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 16 29  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
> 
HTS2204-01076016-01

> 
Namiki2204

> 
NS-007347376-0000

> 
C13H13N2O3Br

> 
325.162

> 
0

> 
1

> 
3

> 
0

> 
60.3300

> 
-8.6798

> 
-0.1426

> 
-4.032

> 
2.518

> 
-5.049

> 
COC(CNC(Cn1ccc2cc(ccc21)[Br])=O)=O

> 
KSH2210-01304328 

$$$$