LAI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C5 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C5 | C4 | 109.2° | 109.5° |
| C5 | O5 | HO5 | 109.5° | 114.0° |
| O5 | C5 | H51 | 109.5° | 109.5° |
| O5 | C5 | H52 | 109.5° | 109.4° |
| C5 | C4 | C3 | 125.5° | 109.5° |
| C5 | C4 | O4 | 107.8° | 109.5° |
| C4 | C5 | H51 | 109.6° | 109.5° |
| C4 | C5 | H52 | 109.5° | 109.5° |
| C5 | C4 | H4 | 107.0° | 109.4° |
| C3 | C4 | O4 | 100.6° | 109.5° |
| C4 | C3 | C2 | 107.7° | 109.5° |
| C4 | C3 | O3 | 109.7° | 109.5° |
| C3 | C4 | H4 | 106.8° | 109.5° |
| C4 | C3 | H3 | 109.3° | 109.5° |
| O4 | C4 | H4 | 108.1° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C2 | C3 | O3 | 110.1° | 109.5° |
| C3 | C2 | C1 | 121.0° | 109.5° |
| C3 | C2 | O2 | 108.1° | 109.5° |
| C2 | C3 | H3 | 109.2° | 109.5° |
| C3 | C2 | H2 | 105.2° | 109.5° |
| O3 | C3 | H3 | 110.8° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C1 | C2 | O2 | 109.4° | 109.5° |
| C2 | C1 | O1 | 120.4° | 120.0° |
| C1 | C2 | H2 | 105.7° | 109.5° |
| C2 | C1 | H1 | 119.8° | 120.0° |
| O2 | C2 | H2 | 106.4° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 113.9° |
| O1 | C1 | H1 | 119.8° | 120.0° |
| H51 | C5 | H52 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C5 | C4 | H51 | 119.9° | 120.0° |
| O5 | C5 | C4 | H52 | 119.9° | 119.9° |
| O5 | C5 | C4 | C3 | 174.7° | 175.0° |
| O5 | C5 | C4 | O4 | 67.5° | 65.0° |
| O5 | C5 | H51 | H52 | 120.1° | 119.9° |
| O5 | C5 | C4 | H4 | 48.6° | 55.0° |
| C5 | C4 | C3 | O4 | 121.0° | 120.1° |
| C5 | C4 | C3 | H4 | 126.2° | 120.0° |
| C5 | C4 | O4 | H4 | 115.3° | 120.0° |
| C5 | C4 | C3 | C2 | 178.0° | 180.0° |
| C5 | C4 | C3 | O3 | 58.2° | 59.9° |
| C4 | C5 | O5 | HO5 | 180.0° | 180.0° |
| C4 | C5 | H51 | H52 | 120.1° | 120.0° |
| C5 | C4 | C3 | H3 | 63.5° | 60.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | O4 | H4 | 111.8° | 120.0° |
| C4 | C3 | C2 | O3 | 119.6° | 120.0° |
| C4 | C3 | C2 | H3 | 118.6° | 120.0° |
| C4 | C3 | O3 | H3 | 120.8° | 120.0° |
| C4 | C3 | C2 | C1 | 179.3° | 175.0° |
| C4 | C3 | C2 | O2 | 53.5° | 55.0° |
| C3 | C4 | C5 | H51 | 54.8° | 55.0° |
| C3 | C4 | C5 | H52 | 65.3° | 65.0° |
| C4 | C3 | C2 | H2 | 59.9° | 65.0° |
| C3 | C4 | O4 | HO4 | 47.1° | 60.1° |
| C4 | C3 | O3 | HO3 | 180.0° | 60.1° |
| O4 | C4 | C3 | C2 | 61.0° | 60.0° |
| O4 | C4 | C3 | O3 | 179.2° | 180.0° |
| O4 | C4 | C5 | H51 | 172.6° | 175.0° |
| O4 | C4 | C5 | H52 | 52.5° | 55.0° |
| O4 | C4 | C3 | H3 | 57.6° | 60.0° |
| C2 | C3 | O3 | H3 | 120.9° | 120.0° |
| C3 | C2 | C1 | O2 | 126.6° | 120.0° |
| C3 | C2 | C1 | H2 | 119.2° | 120.0° |
| C3 | C2 | O2 | H2 | 112.6° | 120.0° |
| C3 | C2 | C1 | O1 | 101.6° | 120.0° |
| C2 | C3 | C4 | H4 | 51.8° | 60.0° |
| C3 | C2 | C1 | H1 | 78.4° | 60.0° |
| C2 | C3 | O3 | HO3 | 61.6° | 60.0° |
| C3 | C2 | O2 | HO2 | 122.6° | 60.0° |
| O3 | C3 | C2 | C1 | 61.1° | 55.0° |
| O3 | C3 | C2 | O2 | 66.0° | 65.0° |
| O3 | C3 | C4 | H4 | 68.0° | 60.0° |
| O3 | C3 | C2 | H2 | 179.5° | 175.0° |
| C1 | C2 | O2 | H2 | 113.8° | 120.0° |
| C2 | C1 | O1 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | H3 | 60.7° | 65.0° |
| C1 | C2 | O2 | HO2 | 11.0° | 60.0° |
| O2 | C2 | C1 | O1 | 25.0° | 0.0° |
| O2 | C2 | C3 | H3 | 172.1° | 175.0° |
| O2 | C2 | C1 | H1 | 155.1° | 179.9° |
| O1 | C1 | C2 | H2 | 139.2° | 120.0° |
| HO5 | O5 | C5 | H51 | 60.0° | 59.9° |
| HO5 | O5 | C5 | H52 | 60.1° | 60.0° |
| H51 | C5 | C4 | H4 | 71.4° | 65.0° |
| H52 | C5 | C4 | H4 | 168.5° | 175.0° |
| H4 | C4 | C3 | H3 | 170.3° | NaN° |
| H4 | C4 | O4 | HO4 | 64.7° | 180.0° |
| H3 | C3 | C2 | H2 | 58.7° | 55.0° |
| H3 | C3 | O3 | HO3 | 59.3° | 180.0° |
| H2 | C2 | C1 | H1 | 40.8° | 59.9° |
| H2 | C2 | O2 | HO2 | 124.7° | 180.0° |
