HTS2204-06383972
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2.4567 -0.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.0548 -0.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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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
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26 43 1 0 0 0 0
27 44 1 0 0 0 0
27 45 1 0 0 0 0
27 46 1 0 0 0 0
28 47 1 0 0 0 0
28 48 1 0 0 0 0
28 49 1 0 0 0 0
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29 51 1 0 0 0 0
29 52 1 0 0 0 0
M END
>
HTS2204-06383972-01
>
Namiki2204
>
NS-024170209-0000
>
C22H23N4O2F
>
394.450
>
0
>
2
>
3
>
0
>
73.8000
>
-8.6010
>
-0.5430
>
-3.773
>
2.152
>
-5.578
>
O=C(CN3C(C=C(N=C3Nc1ccc(c(c1)C)C)C)=O)Nc2ccc(cc2C)F
>
KSH2210-02302345
>
53201883
$$$$