OOA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C1 | O3 | doub | 1.21Å | 1.21Å | |
| C1 | O31 | sing | 1.34Å | 1.33Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | H2C1 | sing | 1.09Å | 1.11Å | |
| C2 | H2C2 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | O1 | doub | 1.21Å | 1.22Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | H4C1 | sing | 1.09Å | 1.11Å | |
| C4 | H4C2 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H5C1 | sing | 1.09Å | 1.11Å | |
| C5 | H5C2 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | H6C1 | sing | 1.09Å | 1.11Å | |
| C6 | H6C2 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | H7C1 | sing | 1.09Å | 1.11Å | |
| C7 | H7C2 | sing | 1.09Å | 1.11Å | |
| C8 | H8C1 | sing | 1.09Å | 1.11Å | |
| C8 | H8C2 | sing | 1.09Å | 1.11Å | |
| C8 | H8C3 | sing | 1.09Å | 1.12Å | |
| O31 | HO' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O3 | 118.5° | 120.0° |
| C2 | C1 | O31 | 118.6° | 120.0° |
| C1 | C2 | C3 | 112.6° | 109.5° |
| C1 | C2 | H2C1 | 111.0° | 109.4° |
| C1 | C2 | H2C2 | 111.0° | 109.4° |
| O3 | C1 | O31 | 117.8° | 120.0° |
| C1 | O31 | HO' | 118.6° | 120.0° |
| C3 | C2 | H2C1 | 111.0° | 109.5° |
| C3 | C2 | H2C2 | 111.1° | 109.5° |
| C2 | C3 | C4 | 119.8° | 120.0° |
| C2 | C3 | O1 | 119.3° | 120.0° |
| H2C1 | C2 | H2C2 | 99.3° | 109.4° |
| C4 | C3 | O1 | 120.8° | 120.0° |
| C3 | C4 | C5 | 113.4° | 109.5° |
| C3 | C4 | H4C1 | 110.8° | 109.5° |
| C3 | C4 | H4C2 | 110.8° | 109.5° |
| C5 | C4 | H4C1 | 110.7° | 109.5° |
| C5 | C4 | H4C2 | 110.7° | 109.5° |
| C4 | C5 | C6 | 107.4° | 109.5° |
| C4 | C5 | H5C1 | 113.0° | 109.5° |
| C4 | C5 | H5C2 | 113.0° | 109.5° |
| H4C1 | C4 | H4C2 | 99.6° | 109.4° |
| C6 | C5 | H5C1 | 113.0° | 109.4° |
| C6 | C5 | H5C2 | 113.0° | 109.4° |
| C5 | C6 | C7 | 112.5° | 109.5° |
| C5 | C6 | H6C1 | 111.1° | 109.4° |
| C5 | C6 | H6C2 | 111.1° | 109.4° |
| H5C1 | C5 | H5C2 | 97.5° | 109.5° |
| C7 | C6 | H6C1 | 111.1° | 109.5° |
| C7 | C6 | H6C2 | 111.1° | 109.5° |
| C6 | C7 | C8 | 107.2° | 109.5° |
| C6 | C7 | H7C1 | 113.1° | 109.5° |
| C6 | C7 | H7C2 | 113.1° | 109.5° |
| H6C1 | C6 | H6C2 | 99.2° | 109.5° |
| C8 | C7 | H7C1 | 113.1° | 109.4° |
| C8 | C7 | H7C2 | 113.0° | 109.4° |
| C7 | C8 | H8C1 | 107.2° | 109.6° |
| C7 | C8 | H8C2 | 113.1° | 109.4° |
| C7 | C8 | H8C3 | 113.1° | 109.4° |
| H7C1 | C7 | H7C2 | 97.4° | 109.5° |
| H8C1 | C8 | H8C2 | 113.1° | 109.4° |
| H8C1 | C8 | H8C3 | 113.0° | 109.4° |
| H8C2 | C8 | H8C3 | 97.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O3 | O31 | 154.3° | 180.0° |
| C1 | C2 | C3 | H2C1 | 125.3° | 120.0° |
| C1 | C2 | C3 | H2C2 | 125.3° | 120.0° |
| C1 | C2 | H2C1 | H2C2 | 116.9° | 119.9° |
| C1 | C2 | C3 | C4 | 88.5° | 180.0° |
| C1 | C2 | C3 | O1 | 91.0° | 0.0° |
| C2 | C1 | O31 | HO' | 180.0° | 180.0° |
| O3 | C1 | C2 | C3 | 92.8° | 0.0° |
| O3 | C1 | C2 | H2C1 | 142.0° | 120.0° |
| O3 | C1 | C2 | H2C2 | 32.5° | 120.0° |
| O3 | C1 | O31 | HO' | 25.8° | 0.0° |
| O31 | C1 | C2 | C3 | 61.3° | 180.0° |
| O31 | C1 | C2 | H2C1 | 64.0° | 60.0° |
| O31 | C1 | C2 | H2C2 | 173.4° | 60.0° |
| C3 | C2 | H2C1 | H2C2 | 116.9° | 120.1° |
| C2 | C3 | C4 | O1 | 179.5° | 180.0° |
| C2 | C3 | C4 | C5 | 131.7° | 180.0° |
| C2 | C3 | C4 | H4C1 | 103.1° | 60.0° |
| C2 | C3 | C4 | H4C2 | 6.4° | 60.0° |
| H2C1 | C2 | C3 | C4 | 36.7° | 60.0° |
| H2C1 | C2 | C3 | O1 | 143.7° | 120.0° |
| H2C2 | C2 | C3 | C4 | 146.2° | 60.0° |
| H2C2 | C2 | C3 | O1 | 34.2° | 120.0° |
| C3 | C4 | C5 | H4C1 | 125.3° | 120.0° |
| C3 | C4 | C5 | H4C2 | 125.3° | 120.0° |
| C3 | C4 | H4C1 | H4C2 | 116.7° | 120.0° |
| C3 | C4 | C5 | C6 | 151.4° | 180.0° |
| C3 | C4 | C5 | H5C1 | 26.2° | 60.0° |
| C3 | C4 | C5 | H5C2 | 83.3° | 60.0° |
| O1 | C3 | C4 | C5 | 48.8° | 0.0° |
| O1 | C3 | C4 | H4C1 | 76.5° | 120.0° |
| O1 | C3 | C4 | H4C2 | 174.0° | 120.0° |
| C5 | C4 | H4C1 | H4C2 | 116.6° | 120.0° |
| C4 | C5 | C6 | H5C1 | 125.3° | 120.0° |
| C4 | C5 | C6 | H5C2 | 125.3° | 120.0° |
| C4 | C5 | H5C1 | H5C2 | 118.9° | 120.0° |
| C4 | C5 | C6 | C7 | 134.1° | 180.0° |
| C4 | C5 | C6 | H6C1 | 100.6° | 60.0° |
| C4 | C5 | C6 | H6C2 | 8.9° | 60.0° |
| H4C1 | C4 | C5 | C6 | 83.3° | 60.0° |
| H4C1 | C4 | C5 | H5C1 | 151.4° | 180.0° |
| H4C1 | C4 | C5 | H5C2 | 41.9° | 60.0° |
| H4C2 | C4 | C5 | C6 | 26.2° | 60.0° |
| H4C2 | C4 | C5 | H5C1 | 99.1° | 60.0° |
| H4C2 | C4 | C5 | H5C2 | 151.4° | 180.0° |
| C6 | C5 | H5C1 | H5C2 | 118.9° | 120.0° |
| C5 | C6 | C7 | H6C1 | 125.3° | 120.0° |
| C5 | C6 | C7 | H6C2 | 125.3° | 120.0° |
| C5 | C6 | H6C1 | H6C2 | 117.0° | 120.0° |
| C5 | C6 | C7 | C8 | 116.8° | 180.0° |
| C5 | C6 | C7 | H7C1 | 117.9° | 60.0° |
| C5 | C6 | C7 | H7C2 | 8.4° | 60.0° |
| H5C1 | C5 | C6 | C7 | 8.9° | 60.0° |
| H5C1 | C5 | C6 | H6C1 | 134.1° | NaN° |
| H5C1 | C5 | C6 | H6C2 | 116.4° | 60.0° |
| H5C2 | C5 | C6 | C7 | 100.6° | 60.0° |
| H5C2 | C5 | C6 | H6C1 | 24.7° | 60.0° |
| H5C2 | C5 | C6 | H6C2 | 134.2° | NaN° |
| C7 | C6 | H6C1 | H6C2 | 117.0° | 120.0° |
| C6 | C7 | C8 | H7C1 | 125.3° | 120.0° |
| C6 | C7 | C8 | H7C2 | 125.2° | 120.0° |
| C6 | C7 | H7C1 | H7C2 | 119.0° | 120.0° |
| C6 | C7 | C8 | H8C1 | 180.0° | 180.0° |
| C6 | C7 | C8 | H8C2 | 54.7° | 60.0° |
| C6 | C7 | C8 | H8C3 | 54.7° | 60.0° |
| H6C1 | C6 | C7 | C8 | 8.4° | 60.0° |
| H6C1 | C6 | C7 | H7C1 | 116.8° | 180.0° |
| H6C1 | C6 | C7 | H7C2 | 133.7° | 60.0° |
| H6C2 | C6 | C7 | C8 | 117.9° | 60.0° |
| H6C2 | C6 | C7 | H7C1 | 7.4° | 60.0° |
| H6C2 | C6 | C7 | H7C2 | 116.9° | 180.0° |
| C8 | C7 | H7C1 | H7C2 | 119.0° | 120.0° |
| C7 | C8 | H8C1 | H8C2 | 125.3° | 120.0° |
| C7 | C8 | H8C1 | H8C3 | 125.3° | 120.0° |
| C7 | C8 | H8C2 | H8C3 | 119.0° | 120.0° |
| H7C1 | C7 | C8 | H8C1 | 54.7° | 60.0° |
| H7C1 | C7 | C8 | H8C2 | 180.0° | 60.0° |
| H7C1 | C7 | C8 | H8C3 | 70.5° | 180.0° |
| H7C2 | C7 | C8 | H8C1 | 54.8° | 60.0° |
| H7C2 | C7 | C8 | H8C2 | 70.5° | 180.0° |
| H7C2 | C7 | C8 | H8C3 | 180.0° | 60.0° |
| H8C1 | C8 | H8C2 | H8C3 | 119.0° | 120.0° |
