LGT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1A | C1 | doub | 1.21Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.56Å | |
| C1 | O1B | sing | 1.34Å | 1.24Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.51Å | 1.54Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C6 | O6B | doub | 1.21Å | 1.25Å | |
| C6 | O6A | sing | 1.34Å | 1.26Å | |
| O6A | HO6A | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | C1 | C2 | 118.4° | 120.0° |
| O1A | C1 | O1B | 124.0° | 120.0° |
| C2 | C1 | O1B | 117.5° | 119.9° |
| C1 | C2 | C3 | 113.2° | 109.5° |
| C1 | C2 | O2 | 111.6° | 109.4° |
| C1 | C2 | H2 | 104.9° | 109.4° |
| C1 | O1B | HO1B | 109.5° | 116.9° |
| C3 | C2 | O2 | 107.9° | 109.5° |
| C3 | C2 | H2 | 108.7° | 109.5° |
| C2 | C3 | C4 | 113.4° | 109.5° |
| C2 | C3 | O3 | 108.3° | 109.5° |
| C2 | C3 | H3 | 107.2° | 109.5° |
| O2 | C2 | H2 | 110.4° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C4 | C3 | O3 | 108.2° | 109.5° |
| C4 | C3 | H3 | 107.4° | 109.5° |
| C3 | C4 | C5 | 114.3° | 109.5° |
| C3 | C4 | O4 | 109.8° | 109.4° |
| C3 | C4 | H4 | 105.4° | 109.4° |
| O3 | C3 | H3 | 112.5° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C5 | C4 | O4 | 107.9° | 109.5° |
| C5 | C4 | H4 | 107.4° | 109.5° |
| C4 | C5 | O5 | 108.3° | 109.4° |
| C4 | C5 | C6 | 111.4° | 109.5° |
| C4 | C5 | H5 | 109.0° | 109.5° |
| O4 | C4 | H4 | 112.1° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O5 | C5 | C6 | 109.4° | 109.5° |
| O5 | C5 | H5 | 111.0° | 109.5° |
| C5 | O5 | HO5 | 109.5° | 114.0° |
| C6 | C5 | H5 | 107.8° | 109.5° |
| C5 | C6 | O6B | 118.2° | 120.0° |
| C5 | C6 | O6A | 116.4° | 120.0° |
| O6B | C6 | O6A | 125.4° | 120.0° |
| C6 | O6A | HO6A | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | C1 | C2 | O1B | 179.2° | 179.8° |
| O1A | C1 | O1B | HO1B | 0.0° | 0.0° |
| O1A | C1 | C2 | C3 | 37.4° | 115.0° |
| O1A | C1 | C2 | O2 | 159.4° | 5.0° |
| O1A | C1 | C2 | H2 | 81.0° | 125.0° |
| C2 | C1 | O1B | HO1B | 179.1° | 179.8° |
| C1 | C2 | C3 | O2 | 124.0° | 120.0° |
| C1 | C2 | C3 | H2 | 116.2° | 120.0° |
| C1 | C2 | O2 | H2 | 116.3° | 119.9° |
| C1 | C2 | O2 | HO2 | 103.9° | 60.0° |
| C1 | C2 | C3 | C4 | 167.2° | 175.0° |
| C1 | C2 | C3 | O3 | 72.7° | 55.0° |
| C1 | C2 | C3 | H3 | 48.9° | 65.0° |
| O1B | C1 | C2 | C3 | 143.4° | 65.3° |
| O1B | C1 | C2 | O2 | 21.4° | 174.7° |
| O1B | C1 | C2 | H2 | 98.2° | 54.8° |
| C3 | C2 | O2 | H2 | 118.8° | 120.1° |
| C3 | C2 | O2 | HO2 | 131.1° | 60.0° |
| C2 | C3 | C4 | O3 | 120.2° | 120.0° |
| C2 | C3 | C4 | H3 | 118.2° | 120.0° |
| C2 | C3 | O3 | H3 | 118.3° | 120.0° |
| C2 | C3 | O3 | HO3 | 36.0° | 60.0° |
| C2 | C3 | C4 | C5 | 170.0° | 175.0° |
| C2 | C3 | C4 | O4 | 68.6° | 55.0° |
| C2 | C3 | C4 | H4 | 52.4° | 65.0° |
| O2 | C2 | C3 | C4 | 68.8° | 55.0° |
| O2 | C2 | C3 | O3 | 51.3° | 65.0° |
| O2 | C2 | C3 | H3 | 172.9° | 175.0° |
| H2 | C2 | O2 | HO2 | 12.4° | 180.0° |
| H2 | C2 | C3 | C4 | 51.1° | 65.0° |
| H2 | C2 | C3 | O3 | 171.2° | 175.0° |
| H2 | C2 | C3 | H3 | 67.2° | 55.0° |
| C4 | C3 | O3 | H3 | 118.4° | 120.0° |
| C4 | C3 | O3 | HO3 | 159.3° | 60.0° |
| C3 | C4 | C5 | O4 | 122.5° | 120.0° |
| C3 | C4 | C5 | H4 | 116.5° | 120.0° |
| C3 | C4 | O4 | H4 | 116.8° | 120.0° |
| C3 | C4 | O4 | HO4 | 110.6° | 60.0° |
| C3 | C4 | C5 | O5 | 59.4° | 60.0° |
| C3 | C4 | C5 | C6 | 179.7° | 180.0° |
| C3 | C4 | C5 | H5 | 61.5° | 60.0° |
| O3 | C3 | C4 | C5 | 69.8° | 55.0° |
| O3 | C3 | C4 | O4 | 51.6° | 65.0° |
| O3 | C3 | C4 | H4 | 172.6° | 175.0° |
| H3 | C3 | O3 | HO3 | 82.3° | 180.0° |
| H3 | C3 | C4 | C5 | 51.9° | 65.0° |
| H3 | C3 | C4 | O4 | 173.3° | 175.0° |
| H3 | C3 | C4 | H4 | 65.8° | 55.0° |
| C5 | C4 | O4 | H4 | 118.1° | 120.1° |
| C5 | C4 | O4 | HO4 | 124.3° | 60.0° |
| C4 | C5 | O5 | C6 | 121.6° | 120.0° |
| C4 | C5 | O5 | H5 | 119.6° | 120.0° |
| C4 | C5 | C6 | H5 | 119.5° | 120.0° |
| C4 | C5 | O5 | HO5 | 125.0° | 60.0° |
| C4 | C5 | C6 | O6B | 86.8° | 115.0° |
| C4 | C5 | C6 | O6A | 91.9° | 65.0° |
| O4 | C4 | C5 | O5 | 178.2° | 180.0° |
| O4 | C4 | C5 | C6 | 57.9° | 60.0° |
| O4 | C4 | C5 | H5 | 61.0° | 60.0° |
| H4 | C4 | O4 | HO4 | 6.2° | 179.9° |
| H4 | C4 | C5 | O5 | 57.1° | 60.0° |
| H4 | C4 | C5 | C6 | 63.2° | 60.0° |
| H4 | C4 | C5 | H5 | 178.0° | 180.0° |
| O5 | C5 | C6 | H5 | 120.8° | 120.0° |
| O5 | C5 | C6 | O6B | 32.8° | 5.0° |
| O5 | C5 | C6 | O6A | 148.4° | 175.0° |
| C6 | C5 | O5 | HO5 | 113.5° | 59.9° |
| C5 | C6 | O6B | O6A | 178.6° | 180.0° |
| C5 | C6 | O6A | HO6A | 178.6° | 180.0° |
| H5 | C5 | O5 | HO5 | 5.4° | 180.0° |
| H5 | C5 | C6 | O6B | 153.6° | 125.0° |
| H5 | C5 | C6 | O6A | 27.6° | 55.0° |
| O6B | C6 | O6A | HO6A | 0.0° | 0.0° |
