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. Author manuscript; available in PMC: 2018 Oct 8.
Published in final edited form as: J Chem Inf Model. 2018 Aug 30;58(9):1766–1778. doi: 10.1021/acs.jcim.8b00166

Figure 11.

Figure 11

Simplification of hydrogen bond in water to the link between OH first, OH-1, and second, OH-2, neighbour distances. It can also be seen that the OO first neighbour (the distance between the two red oxygen atoms) and OH-2 second neighbour are in line. Hydrogen is shown in white.