LTG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| O2 | C2 | doub | 1.21Å | 1.23Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C4 | 106.4° | 109.5° |
| O3 | C3 | C2 | 105.3° | 109.5° |
| O3 | C3 | H3 | 110.6° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C5 | C6 | O6 | 110.9° | 109.5° |
| C6 | C5 | O5 | 109.0° | 109.4° |
| C6 | C5 | C4 | 111.6° | 109.5° |
| C6 | C5 | H5 | 108.3° | 109.5° |
| C5 | C6 | H61 | 109.1° | 109.5° |
| C5 | C6 | H62 | 109.1° | 109.5° |
| O6 | C6 | H61 | 109.1° | 109.5° |
| O6 | C6 | H62 | 109.1° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O5 | C5 | C4 | 110.4° | 109.5° |
| O5 | C5 | H5 | 109.4° | 109.5° |
| C5 | O5 | HO5 | 109.5° | 114.0° |
| C5 | C4 | C3 | 108.0° | 109.5° |
| C5 | C4 | O4 | 112.7° | 109.5° |
| C4 | C5 | H5 | 108.0° | 109.5° |
| C5 | C4 | H4 | 107.8° | 109.5° |
| C4 | C3 | C2 | 116.0° | 109.5° |
| C3 | C4 | O4 | 111.0° | 109.5° |
| C3 | C4 | H4 | 108.0° | 109.4° |
| C4 | C3 | H3 | 109.2° | 109.4° |
| C3 | C2 | O2 | 120.7° | 120.0° |
| C3 | C2 | C1 | 118.6° | 120.0° |
| C2 | C3 | H3 | 109.1° | 109.5° |
| O4 | C4 | H4 | 109.3° | 109.4° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O2 | C2 | C1 | 120.6° | 120.0° |
| C2 | C1 | O1 | 104.9° | 109.5° |
| C2 | C1 | H11 | 110.6° | 109.5° |
| C2 | C1 | H12 | 110.6° | 109.4° |
| O1 | C1 | H11 | 110.6° | 109.5° |
| O1 | C1 | H12 | 110.6° | 109.4° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C4 | C5 | 95.6° | 60.0° |
| O3 | C3 | C4 | C2 | 116.8° | 120.0° |
| O3 | C3 | C4 | H3 | 119.4° | 120.0° |
| O3 | C3 | C2 | H3 | 118.8° | 120.0° |
| O3 | C3 | C4 | O4 | 140.4° | 180.0° |
| O3 | C3 | C2 | O2 | 8.8° | 20.0° |
| O3 | C3 | C2 | C1 | 175.7° | 160.0° |
| O3 | C3 | C4 | H4 | 20.7° | 60.0° |
| C5 | C6 | O6 | H61 | 120.2° | 120.0° |
| C5 | C6 | O6 | H62 | 120.2° | 120.0° |
| C6 | C5 | O5 | C4 | 123.0° | 120.0° |
| C6 | C5 | O5 | H5 | 118.3° | 120.0° |
| C6 | C5 | C4 | H5 | 118.9° | 120.0° |
| C6 | C5 | C4 | C3 | 174.7° | 175.0° |
| C6 | C5 | C4 | O4 | 62.4° | 55.0° |
| C6 | C5 | C4 | H4 | 58.3° | 65.0° |
| C6 | C5 | O5 | HO5 | 180.0° | 60.0° |
| C5 | C6 | H61 | H62 | 119.3° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O6 | C6 | C5 | O5 | 66.5° | 65.0° |
| O6 | C6 | C5 | C4 | 55.7° | 175.0° |
| O6 | C6 | C5 | H5 | 174.5° | 55.0° |
| O6 | C6 | H61 | H62 | 119.4° | 120.0° |
| O5 | C5 | C4 | H5 | 119.6° | 120.0° |
| O5 | C5 | C4 | C3 | 63.9° | 55.0° |
| O5 | C5 | C4 | O4 | 59.1° | 65.0° |
| O5 | C5 | C4 | H4 | 179.7° | 175.0° |
| O5 | C5 | C6 | H61 | 173.3° | 55.0° |
| O5 | C5 | C6 | H62 | 53.7° | 175.0° |
| C5 | C4 | C3 | O4 | 124.0° | 120.0° |
| C5 | C4 | C3 | H4 | 116.3° | 120.0° |
| C5 | C4 | C3 | C2 | 147.6° | 180.0° |
| C5 | C4 | O4 | H4 | 119.8° | 120.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C5 | C4 | C3 | H3 | 23.8° | 60.0° |
| C4 | C5 | O5 | HO5 | 57.1° | 60.0° |
| C4 | C5 | C6 | H61 | 64.5° | 65.0° |
| C4 | C5 | C6 | H62 | 176.0° | 55.0° |
| C4 | C3 | C2 | H3 | 123.9° | 120.0° |
| C3 | C4 | O4 | H4 | 119.0° | 119.9° |
| C4 | C3 | C2 | O2 | 126.2° | 100.0° |
| C4 | C3 | C2 | C1 | 58.3° | 80.0° |
| C3 | C4 | C5 | H5 | 55.8° | 65.0° |
| C3 | C4 | O4 | HO4 | 58.7° | 60.0° |
| C4 | C3 | O3 | HO3 | 127.6° | 60.0° |
| C2 | C3 | C4 | O4 | 23.7° | 59.9° |
| C3 | C2 | O2 | C1 | 175.4° | 179.9° |
| C3 | C2 | C1 | O1 | 157.7° | 180.0° |
| C2 | C3 | C4 | H4 | 96.1° | 60.0° |
| C2 | C3 | O3 | HO3 | 3.9° | 60.0° |
| C3 | C2 | C1 | H11 | 83.0° | 60.0° |
| C3 | C2 | C1 | H12 | 38.4° | 60.0° |
| O4 | C4 | C5 | H5 | 178.7° | 175.0° |
| O4 | C4 | C3 | H3 | 100.2° | 60.0° |
| O2 | C2 | C1 | O1 | 17.8° | 0.1° |
| O2 | C2 | C3 | H3 | 110.0° | 140.1° |
| O2 | C2 | C1 | H11 | 101.5° | 120.0° |
| O2 | C2 | C1 | H12 | 137.1° | 120.0° |
| C2 | C1 | O1 | H11 | 119.3° | 120.0° |
| C2 | C1 | O1 | H12 | 119.3° | 119.9° |
| C1 | C2 | C3 | H3 | 65.5° | 40.0° |
| C2 | C1 | H11 | H12 | 122.1° | 120.0° |
| C2 | C1 | O1 | HO1 | 7.9° | 180.0° |
| O1 | C1 | H11 | H12 | 122.1° | 120.0° |
| H5 | C5 | C4 | H4 | 60.6° | 55.0° |
| H5 | C5 | O5 | HO5 | 61.7° | 180.0° |
| H5 | C5 | C6 | H61 | 54.3° | 175.0° |
| H5 | C5 | C6 | H62 | 65.3° | 65.0° |
| H4 | C4 | O4 | HO4 | 60.2° | 180.0° |
| H4 | C4 | C3 | H3 | 140.1° | 180.0° |
| H3 | C3 | O3 | HO3 | 113.9° | 180.0° |
| H11 | C1 | O1 | HO1 | 111.4° | 60.0° |
| H12 | C1 | O1 | HO1 | 127.2° | 60.1° |
| H61 | C6 | O6 | HO6 | 59.8° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.8° | 60.0° |
