HTS1610-04267897
  

 43 44  0  0  0  0  0  0  0  0999 V2000
    0.8445   -0.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7535   -0.3823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0407   -0.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7416    0.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4546    0.3677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4427   -0.3823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8445   -1.8823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3398    0.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1436    0.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7416    1.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0526    0.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3398    1.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6506    0.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3517   -0.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0407    2.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9497   -0.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2487    0.3677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6506   -2.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0407   -1.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3517   -1.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9497   -1.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6387    2.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5478   -0.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4547    0.9677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8594    0.0677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7579    0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5293    0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2220    2.1676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0526    0.9677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6505    0.9677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0407    3.2177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6505   -3.2323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6316   -1.9865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0407   -2.4823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4498   -1.9865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8321   -2.1824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4693   -2.1823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4334    3.1815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1583    2.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0244    2.1580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3426   -0.9462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0675   -0.6823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9335    0.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  2  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  6  9  1  0  0  0  0
  8 12  2  0  0  0  0
 10 15  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 23  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
  5 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 13 30  1  0  0  0  0
 15 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
> 
HTS1610-04267897-01

> 
Namiki1610

> 
NS-015569074-0000

> 
C18H20N2O3

> 
312.369

> 
0

> 
1

> 
4

> 
-8.7013

> 
-0.5015

> 
0

> 
-3.7534

> 
3.3068

> 
COc1cccc(c1)C=NNC(COc2ccc(cc2C)C)=O

> 
KSH2016-02151453 

> 
ZINC03023373

> 
9673592 6128825 4496479

$$$$