KSH2210-02302345
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1.0320 2.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.3308 3.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6300 2.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3308 -1.0796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5747 1.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2669 0.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.2030 -1.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.9041 -1.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2030 -3.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-6.7540 2.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.5185 -1.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5185 -4.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.8975 -0.4796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4660 3.9921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4660 -0.2058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8975 -4.6771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1037 -3.6304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2729 0.8429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7241 3.9808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4488 3.7166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3144 2.9570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0781 3.9778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3497 3.7240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4732 2.9626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3166 -0.5145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0399 -0.7827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9014 -1.5415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9059 -3.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0369 -4.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3111 -4.6569 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
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6 5 2 0 0 0 0
7 2 1 0 0 0 0
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16 15 2 0 0 0 0
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22 24 1 0 0 0 0
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24 20 2 0 0 0 0
25 22 1 0 0 0 0
26 6 1 0 0 0 0
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28 13 1 0 0 0 0
29 17 1 0 0 0 0
4 6 1 0 0 0 0
17 13 2 0 0 0 0
22 18 2 0 0 0 0
5 30 1 0 0 0 0
7 31 1 0 0 0 0
9 32 1 0 0 0 0
9 33 1 0 0 0 0
10 34 1 0 0 0 0
16 35 1 0 0 0 0
18 36 1 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
23 39 1 0 0 0 0
24 40 1 0 0 0 0
26 41 1 0 0 0 0
26 42 1 0 0 0 0
26 43 1 0 0 0 0
27 44 1 0 0 0 0
27 45 1 0 0 0 0
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28 47 1 0 0 0 0
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28 49 1 0 0 0 0
29 50 1 0 0 0 0
29 51 1 0 0 0 0
29 52 1 0 0 0 0
M END
>
KSH2210-02302345-01
>
Kishida2210
>
P574-5536
>
-
>
ChemDiv
>
KS151-4679820
>
C22H23N4O2F
>
394.450
>
0
>
2
>
3
>
0
>
73.8000
>
-8.5970
>
-0.5401
>
-3.455
>
2.042
>
-5.545
>
O=C(CN3C(C=C(N=C3Nc1ccc(c(c1)C)C)C)=O)Nc2ccc(cc2C)F
>
HTS2204-06383972
>
53201883
$$$$