LPK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.42Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| O5 | C5 | sing | 1.43Å | 1.42Å | |
| O4 | C4 | sing | 1.43Å | 1.42Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| O2 | C2 | doub | 1.21Å | 1.23Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | 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) |
| O6 | C6 | C5 | 111.0° | 109.5° |
| O6 | C6 | H61 | 109.1° | 109.5° |
| O6 | C6 | H62 | 109.1° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C6 | C5 | O5 | 109.7° | 109.5° |
| C6 | C5 | C4 | 112.4° | 109.4° |
| C6 | C5 | H5 | 108.0° | 109.5° |
| C5 | C6 | H61 | 109.1° | 109.5° |
| C5 | C6 | H62 | 109.1° | 109.5° |
| O5 | C5 | C4 | 109.6° | 109.5° |
| O5 | C5 | H5 | 109.2° | 109.5° |
| C5 | O5 | HO5 | 109.5° | 114.0° |
| O4 | C4 | C5 | 109.8° | 109.5° |
| O4 | C4 | C3 | 109.6° | 109.4° |
| O4 | C4 | H4 | 109.8° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C5 | C4 | C3 | 110.9° | 109.5° |
| C5 | C4 | H4 | 108.4° | 109.4° |
| C4 | C5 | H5 | 107.9° | 109.4° |
| C4 | C3 | C2 | 108.7° | 109.4° |
| C4 | C3 | O3 | 109.9° | 109.5° |
| C4 | C3 | H3 | 109.1° | 109.5° |
| C3 | C4 | H4 | 108.4° | 109.5° |
| O2 | C2 | C3 | 118.9° | 120.0° |
| O2 | C2 | C1 | 119.4° | 120.0° |
| C2 | C3 | O3 | 109.3° | 109.5° |
| C3 | C2 | C1 | 119.2° | 120.0° |
| C2 | C3 | H3 | 109.3° | 109.5° |
| O3 | C3 | H3 | 110.5° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C2 | C1 | O1 | 109.4° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| O1 | C1 | H11 | 109.5° | 109.5° |
| O1 | C1 | H12 | 109.5° | 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) |
| O6 | C6 | C5 | H61 | 120.3° | 120.0° |
| O6 | C6 | C5 | H62 | 120.2° | 120.0° |
| O6 | C6 | C5 | O5 | 35.5° | 65.0° |
| O6 | C6 | C5 | C4 | 86.6° | 175.0° |
| O6 | C6 | C5 | H5 | 154.5° | 55.0° |
| O6 | C6 | H61 | H62 | 119.3° | 120.0° |
| C6 | C5 | O5 | C4 | 123.8° | 120.0° |
| C6 | C5 | O5 | H5 | 118.2° | 120.0° |
| C6 | C5 | C4 | O4 | 16.4° | 60.0° |
| C6 | C5 | C4 | H5 | 118.9° | 120.0° |
| C6 | C5 | C4 | C3 | 137.6° | 180.0° |
| C6 | C5 | C4 | H4 | 103.5° | 60.1° |
| C6 | C5 | O5 | HO5 | 180.0° | 60.0° |
| C5 | C6 | H61 | H62 | 119.3° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O5 | C5 | C4 | O4 | 138.7° | 179.9° |
| O5 | C5 | C4 | H5 | 118.8° | 120.0° |
| O5 | C5 | C4 | C3 | 100.2° | 60.0° |
| O5 | C5 | C4 | H4 | 18.7° | 60.0° |
| O5 | C5 | C6 | H61 | 84.8° | 55.0° |
| O5 | C5 | C6 | H62 | 155.7° | 175.0° |
| O4 | C4 | C5 | C3 | 121.2° | 120.0° |
| O4 | C4 | C5 | H4 | 119.9° | 120.0° |
| O4 | C4 | C3 | H4 | 119.8° | 120.0° |
| O4 | C4 | C3 | C2 | 37.0° | 60.0° |
| O4 | C4 | C3 | O3 | 156.6° | 180.0° |
| O4 | C4 | C3 | H3 | 82.1° | 60.0° |
| O4 | C4 | C5 | H5 | 102.5° | 60.0° |
| C5 | C4 | C3 | H4 | 118.9° | 120.0° |
| C5 | C4 | C3 | C2 | 158.3° | 180.0° |
| C5 | C4 | C3 | O3 | 82.1° | 60.0° |
| C5 | C4 | C3 | H3 | 39.3° | 60.0° |
| C5 | C4 | O4 | HO4 | 168.7° | 60.0° |
| C4 | C5 | O5 | HO5 | 56.2° | 60.0° |
| C4 | C5 | C6 | H61 | 153.1° | 65.0° |
| C4 | C5 | C6 | H62 | 33.6° | 55.0° |
| C4 | C3 | C2 | O2 | 47.2° | 105.0° |
| C4 | C3 | C2 | O3 | 120.0° | 120.0° |
| C4 | C3 | C2 | H3 | 119.0° | 120.0° |
| C4 | C3 | O3 | H3 | 120.5° | 120.0° |
| C4 | C3 | C2 | C1 | 115.0° | 75.0° |
| C4 | C3 | O3 | HO3 | 93.1° | 60.0° |
| C3 | C4 | O4 | HO4 | 46.7° | 60.0° |
| C3 | C4 | C5 | H5 | 18.7° | 60.0° |
| O2 | C2 | C3 | C1 | 162.2° | 180.0° |
| O2 | C2 | C3 | O3 | 72.7° | 15.0° |
| O2 | C2 | C1 | O1 | 0.8° | 0.0° |
| O2 | C2 | C1 | H11 | 120.7° | 120.0° |
| O2 | C2 | C1 | H12 | 119.2° | 120.0° |
| O2 | C2 | C3 | H3 | 166.2° | 135.0° |
| C2 | C3 | O3 | H3 | 120.3° | 120.0° |
| C3 | C2 | C1 | O1 | 162.9° | 180.0° |
| C3 | C2 | C1 | H11 | 77.2° | 60.0° |
| C3 | C2 | C1 | H12 | 42.9° | 60.0° |
| C2 | C3 | O3 | HO3 | 26.2° | 60.0° |
| C2 | C3 | C4 | H4 | 82.8° | 60.0° |
| O3 | C3 | C2 | C1 | 125.1° | 165.0° |
| O3 | C3 | C4 | H4 | 36.8° | 60.0° |
| C2 | C1 | O1 | H11 | 120.0° | 120.0° |
| C2 | C1 | O1 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H12 | 120.1° | 120.0° |
| C2 | C1 | O1 | HO1 | 0.4° | 180.0° |
| C1 | C2 | C3 | H3 | 4.0° | 45.0° |
| O1 | C1 | H11 | H12 | 120.0° | 120.0° |
| H11 | C1 | O1 | HO1 | 120.4° | 60.0° |
| H12 | C1 | O1 | HO1 | 119.6° | 60.0° |
| H3 | C3 | O3 | HO3 | 146.4° | 180.0° |
| H3 | C3 | C4 | H4 | 158.2° | NaN° |
| H4 | C4 | O4 | HO4 | 72.2° | 180.0° |
| H4 | C4 | C5 | H5 | 137.6° | 180.0° |
| H5 | C5 | O5 | HO5 | 61.8° | 180.0° |
| H5 | C5 | C6 | H61 | 34.2° | 175.0° |
| H5 | C5 | C6 | H62 | 85.3° | 65.0° |
| H61 | C6 | O6 | HO6 | 59.8° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.7° | 60.0° |
