AAE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.34Å | 1.22Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | O3 | doub | 1.21Å | 1.24Å | |
| C2 | C4 | sing | 1.51Å | 1.54Å | |
| C4 | C5 | sing | 1.51Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | O8 | doub | 1.21Å | 1.19Å | |
| C5 | C9 | sing | 1.51Å | 1.55Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C9 | H93 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | HO1 | 121.9° | 120.0° |
| O1 | C2 | O3 | 121.9° | 120.0° |
| O1 | C2 | C4 | 120.2° | 119.9° |
| O3 | C2 | C4 | 117.9° | 120.1° |
| C2 | C4 | C5 | 107.0° | 109.4° |
| C2 | C4 | H41 | 113.1° | 109.5° |
| C2 | C4 | H42 | 113.1° | 109.5° |
| C5 | C4 | H41 | 113.2° | 109.5° |
| C5 | C4 | H42 | 113.2° | 109.5° |
| C4 | C5 | O8 | 122.7° | 120.0° |
| C4 | C5 | C9 | 114.9° | 120.0° |
| H41 | C4 | H42 | 97.4° | 109.5° |
| O8 | C5 | C9 | 122.3° | 120.0° |
| C5 | C9 | H91 | 114.9° | 109.5° |
| C5 | C9 | H92 | 110.3° | 109.5° |
| C5 | C9 | H93 | 110.2° | 109.5° |
| H91 | C9 | H92 | 110.2° | 109.5° |
| H91 | C9 | H93 | 110.2° | 109.5° |
| H92 | C9 | H93 | 99.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | O3 | C4 | 180.0° | 180.0° |
| O1 | C2 | C4 | C5 | 138.0° | 180.0° |
| O1 | C2 | C4 | H41 | 96.7° | 60.0° |
| O1 | C2 | C4 | H42 | 12.7° | 60.0° |
| HO1 | O1 | C2 | O3 | 180.0° | 0.0° |
| HO1 | O1 | C2 | C4 | 0.0° | 180.0° |
| O3 | C2 | C4 | C5 | 42.0° | 0.0° |
| O3 | C2 | C4 | H41 | 83.3° | 120.0° |
| O3 | C2 | C4 | H42 | 167.3° | 120.0° |
| C2 | C4 | C5 | H41 | 125.2° | 120.0° |
| C2 | C4 | C5 | H42 | 125.2° | 120.0° |
| C2 | C4 | H41 | H42 | 119.0° | 120.0° |
| C2 | C4 | C5 | O8 | 147.0° | 0.0° |
| C2 | C4 | C5 | C9 | 30.0° | 180.0° |
| C5 | C4 | H41 | H42 | 119.1° | 120.0° |
| C4 | C5 | O8 | C9 | 176.8° | 180.0° |
| C4 | C5 | C9 | H91 | 180.0° | 180.0° |
| C4 | C5 | C9 | H92 | 54.7° | 60.0° |
| C4 | C5 | C9 | H93 | 54.7° | 60.0° |
| H41 | C4 | C5 | O8 | 21.8° | 120.0° |
| H41 | C4 | C5 | C9 | 155.2° | 60.0° |
| H42 | C4 | C5 | O8 | 87.8° | 120.0° |
| H42 | C4 | C5 | C9 | 95.2° | 60.0° |
| O8 | C5 | C9 | H91 | 3.0° | 0.0° |
| O8 | C5 | C9 | H92 | 128.3° | 120.0° |
| O8 | C5 | C9 | H93 | 122.3° | 120.0° |
| C5 | C9 | H91 | H92 | 125.3° | 120.0° |
| C5 | C9 | H91 | H93 | 125.3° | 120.0° |
| C5 | C9 | H92 | H93 | 116.1° | 120.0° |
| H91 | C9 | H92 | H93 | 116.0° | 119.9° |
