BEZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O1 | doub | 1.21Å | 1.26Å | |
| C | O2 | sing | 1.35Å | 1.26Å | |
| C | C1 | sing | 1.48Å | 1.52Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C | O2 | 120.2° | 120.0° |
| O1 | C | C1 | 119.6° | 120.0° |
| O2 | C | C1 | 120.1° | 120.0° |
| C | O2 | HO2 | 109.5° | 117.0° |
| C | C1 | C2 | 119.7° | 120.2° |
| C | C1 | C6 | 123.3° | 120.2° |
| C2 | C1 | C6 | 117.0° | 119.6° |
| C1 | C2 | C3 | 117.7° | 119.9° |
| C1 | C2 | H2 | 121.2° | 120.0° |
| C1 | C6 | C5 | 124.8° | 119.9° |
| C1 | C6 | H6 | 117.6° | 120.1° |
| C3 | C2 | H2 | 121.1° | 120.1° |
| C2 | C3 | C4 | 124.2° | 120.1° |
| C2 | C3 | H3 | 117.9° | 119.9° |
| C4 | C3 | H3 | 117.9° | 119.9° |
| C3 | C4 | C5 | 117.5° | 120.3° |
| C3 | C4 | H4 | 121.3° | 119.9° |
| C5 | C4 | H4 | 121.3° | 119.8° |
| C4 | C5 | C6 | 118.3° | 120.1° |
| C4 | C5 | H5 | 120.9° | 119.9° |
| C6 | C5 | H5 | 120.8° | 120.0° |
| C5 | C6 | H6 | 117.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C | O2 | C1 | 174.5° | 179.7° |
| O1 | C | O2 | HO2 | 0.0° | 0.0° |
| O1 | C | C1 | C2 | 164.9° | 0.0° |
| O1 | C | C1 | C6 | 13.2° | 179.7° |
| O2 | C | C1 | C2 | 20.5° | 179.8° |
| O2 | C | C1 | C6 | 161.4° | 0.6° |
| C1 | C | O2 | HO2 | 174.6° | 179.7° |
| C | C1 | C2 | C6 | 178.2° | 179.7° |
| C | C1 | C2 | C3 | 179.2° | 180.0° |
| C | C1 | C2 | H2 | 0.8° | 0.0° |
| C | C1 | C6 | C5 | 178.2° | 179.7° |
| C | C1 | C6 | H6 | 1.9° | 0.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 3.5° | 0.0° |
| C1 | C2 | C3 | H3 | 176.5° | 180.0° |
| C2 | C1 | C6 | C5 | 3.7° | 0.7° |
| C2 | C1 | C6 | H6 | 176.3° | 179.7° |
| C6 | C1 | C2 | C3 | 2.6° | 0.3° |
| C6 | C1 | C2 | H2 | 177.4° | 179.7° |
| C1 | C6 | C5 | C4 | 1.4° | 0.7° |
| C1 | C6 | C5 | H6 | 180.0° | 179.6° |
| C1 | C6 | C5 | H5 | 178.6° | 179.7° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 8.6° | 0.0° |
| C2 | C3 | C4 | H4 | 171.4° | 180.0° |
| H2 | C2 | C3 | C4 | 176.5° | 180.0° |
| H2 | C2 | C3 | H3 | 3.5° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 7.3° | 0.3° |
| C3 | C4 | C5 | H5 | 172.7° | 180.0° |
| H3 | C3 | C4 | C5 | 171.4° | 180.0° |
| H3 | C3 | C4 | H4 | 8.6° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.6° |
| C4 | C5 | C6 | H6 | 178.6° | 179.7° |
| H4 | C4 | C5 | C6 | 172.7° | 179.7° |
| H4 | C4 | C5 | H5 | 7.3° | 0.1° |
| H5 | C5 | C6 | H6 | 1.4° | 0.1° |
