The intermolecular interaction energies of the 161 small-molecule complexes generated by the EUDOC program and their mass-weighted root mean square deviations (mwRMSDs) relative to their corresponding crystal structures.

1Cambridge Structural Database code;
2Intermolecular interaction energy calculated by the EUDOC program;
3The van der Waals component of the intermolecular interaction energy;
4The electrostatic component of the intermolecular interaction energy;
5The translational increment was set to 0.5 Å.