The distance contacts ≤ 3.2 𝐴 stated as hydrogen bonds in and aren't necessarily hydrogen bonds in the GOLD computational modeling; hydrogen bonds require not only distance but also angular bond orientation (being a dipole-dipole interaction) depending on the donor and acceptor atom type. There are distances reported in [6] (figure 2e,f and 4f) which are not reported as hydrogen bonds here, but the hydrogen bond agreement generally matches between x-ray and computational.