AW9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C4 | doub | 1.21Å | 1.21Å | |
| C3 | C4 | sing | 1.48Å | 1.55Å | |
| C3 | C2 | doub | 1.34Å | 1.55Å | |
| C4 | O2 | sing | 1.35Å | 1.34Å | |
| C2 | C1 | sing | 1.48Å | 1.54Å | |
| C1 | O | sing | 1.35Å | 1.47Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| O | C | sing | 1.45Å | 1.43Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C4 | C3 | 123.5° | 120.1° |
| O3 | C4 | O2 | 112.7° | 120.0° |
| C4 | C3 | C2 | 108.5° | 119.9° |
| C3 | C4 | O2 | 123.8° | 120.0° |
| C4 | C3 | H2 | 125.7° | 120.0° |
| C3 | C2 | C1 | 115.2° | 120.1° |
| C2 | C3 | H2 | 125.8° | 120.0° |
| C3 | C2 | H4 | 122.4° | 120.0° |
| C4 | O2 | H1 | 109.5° | 117.0° |
| C2 | C1 | O | 121.3° | 120.1° |
| C2 | C1 | O1 | 121.9° | 119.9° |
| C1 | C2 | H4 | 122.4° | 120.0° |
| O | C1 | O1 | 116.8° | 120.0° |
| C1 | O | C | 121.9° | 117.0° |
| O | C | H6 | 109.5° | 109.5° |
| O | C | H7 | 109.5° | 109.5° |
| O | C | H8 | 109.4° | 109.5° |
| H6 | C | H7 | 109.5° | 109.5° |
| H6 | C | H8 | 109.5° | 109.5° |
| H7 | C | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C4 | C3 | O2 | 179.6° | 179.7° |
| O3 | C4 | C3 | C2 | 176.8° | 6.0° |
| O3 | C4 | O2 | H1 | 0.0° | 0.0° |
| O3 | C4 | C3 | H2 | 3.2° | 174.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 53.1° | 30.7° |
| C3 | C4 | O2 | H1 | 179.6° | 179.8° |
| C4 | C3 | C2 | H4 | 126.9° | 149.4° |
| C2 | C3 | C4 | O2 | 2.8° | 174.3° |
| C3 | C2 | C1 | H4 | 180.0° | 179.9° |
| C3 | C2 | C1 | O | 60.3° | 171.6° |
| C3 | C2 | C1 | O1 | 122.0° | 8.3° |
| O2 | C4 | C3 | H2 | 177.2° | 5.7° |
| C2 | C1 | O | O1 | 177.8° | 179.9° |
| C2 | C1 | O | C | 175.4° | 180.0° |
| C1 | C2 | C3 | H2 | 126.9° | 149.3° |
| O | C1 | C2 | H4 | 119.6° | 8.5° |
| C1 | O | C | H6 | 180.0° | 60.0° |
| C1 | O | C | H7 | 60.0° | 60.0° |
| C1 | O | C | H8 | 60.0° | 180.0° |
| O1 | C1 | O | C | 6.8° | 0.0° |
| O1 | C1 | C2 | H4 | 58.1° | 171.6° |
| O | C | H6 | H7 | 120.0° | 120.0° |
| O | C | H6 | H8 | 120.0° | 120.0° |
| O | C | H7 | H8 | 120.0° | 120.0° |
| H2 | C3 | C2 | H4 | 53.1° | 30.6° |
| H6 | C | H7 | H8 | 120.0° | 120.0° |
