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. 2018 Jul 10;8(43):24599–24616. doi: 10.1039/c8ra04678f

Hydrogen bonds donated by the free water molecules W5, W6 and W7. All the distances and angles, D and α, are given in Å and deg, respectively.

Water molecule Hydrogen bond (A–H⋯B) D (A–H) D (H⋯B) α (A–H⋯B)
W5 OW5–H5A⋯O9 0.974 2.254 163.3
OW5–H5B⋯O11 0.977 2.215 136.3
OW5–H5B⋯O2 0.977 2.282 111.1
W6 OW6–H6A⋯O7 0.978 1.809 162.7
OW6–H6B···OW7 0.981 1.884 159.6
W7 OW7–H7A⋯O7 0.982 1.843 169.1
OW7–H7A⋯O11 0.975 2.127 146.8
OW7–H7A⋯O2 0.975 2.407 111.7