Three-dimensional coordinates of catalyst pharmacophore features for model 3
| Coordinates | Pharmacophore Features | ||||
|---|---|---|---|---|---|
| HBA | HBA Vector | HBA | HBA Vector | H | |
| X | 1.80 | 3.84 | −1.02 | −3.74 | −1.02 |
| Y | −0.24 | 1.96 | −4.01 | −5.24 | 1.12 |
| Z | −1.14 | −1.34 | −0.34 | −0.66 | 2.40 |
HBA = hydrogen bond acceptor; HBD = hydrogen bond donor; H = hydrophobe.