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. 2024 Sep 24;14(42):30582–30589. doi: 10.1039/d4ra05365f

Condensed f0 and CDD indices for CBF.

Atom f 0 CDD Atom f 0 CDD
1(C) 0.0341 −0.0513 17(H) 0.0269 −0.0199
2(C) 0.0312 −0.0267 18(H) 0.0324 −0.0370
3(C) 0.0674 −0.1068 19(H) 0.0354 −0.0046
4(C) 0.0281 −0.0385 20(H) 0.1086 0.1935
5(C) 0.0319 −0.0626 21(H) 0.0983 0.1685
6(C) 0.0400 −0.0760 22(H) 0.0283 0.0466
7(C) 0.0279 0.0498 23(H) 0.0615 0.0946
8(C) 0.0494 0.0797 24(H) 0.0050 −0.0037
9(C) 0.0109 −0.0121 25(H) 0.0149 −0.0085
10(C) 0.0097 −0.0049 26(H) 0.0216 −0.0130
11(C) 0.0122 −0.0116 27(H) 0.0183 −0.0101
12(C) 0.0054 −0.0087 28(H) 0.0179 0.0001
13(O) 0.0189 −0.0138 29(H) 0.0111 −0.0033
14(O) 0.0198 0.0249 30(H) 0.0222 −0.0159
15(O) 0.0622 −0.1301 31(H) 0.0215 −0.0212
16(N) 0.0232 0.0150