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. 2023 Feb 7;15(2):135. doi: 10.3390/toxins15020135

Table 1.

Some INDO atomic charges q and Wiberg bond indices p (in electrons, e) for AFB1. Data from Ref. [35].

Atom qA (e) Bond A-B pA-B (e)
O1 −0.26 O1-C2 1.03
C2 0.21 C2-C3 1.84
C3 −0.04 C3-C4 0.74
C4 −0.25 C4-C19 0.99
C5 −0.08 O1-C19 0.94
C6 0.24 C4-C5 0.99