LFC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1A | C1 | doub | 1.23Å | 1.25Å | |
| C1 | O1B | sing | 1.36Å | 1.25Å | |
| C1 | C2 | sing | 1.52Å | 1.55Å | |
| O1B | HO1B | sing | 0.98Å | 0.95Å | |
| C2 | O2 | sing | 1.42Å | 1.43Å | |
| C2 | C3 | sing | 1.54Å | 1.54Å | |
| C2 | H2 | sing | 1.10Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.42Å | 1.43Å | |
| C3 | C4 | sing | 1.55Å | 1.55Å | |
| C3 | H3 | sing | 1.10Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.44Å | 1.43Å | |
| C4 | C5 | sing | 1.54Å | 1.54Å | |
| C4 | H4 | sing | 1.10Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | O5 | sing | 1.42Å | 1.43Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.10Å | 1.10Å | |
| C6 | H62 | sing | 1.10Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | C1 | O1B | 125.3° | 122.8° |
| O1A | C1 | C2 | 117.3° | 124.5° |
| O1B | C1 | C2 | 117.4° | 112.7° |
| C1 | O1B | HO1B | 109.5° | 115.0° |
| C1 | C2 | O2 | 110.8° | 107.9° |
| C1 | C2 | C3 | 111.8° | 115.9° |
| C1 | C2 | H2 | 106.8° | 107.1° |
| O2 | C2 | C3 | 108.9° | 108.2° |
| O2 | C2 | H2 | 109.8° | 107.5° |
| C2 | O2 | HO2 | 109.5° | 106.7° |
| C3 | C2 | H2 | 108.7° | 110.0° |
| C2 | C3 | O3 | 109.2° | 110.6° |
| C2 | C3 | C4 | 112.2° | 116.9° |
| C2 | C3 | H3 | 107.5° | 106.9° |
| O3 | C3 | C4 | 108.6° | 109.7° |
| O3 | C3 | H3 | 111.1° | 105.6° |
| C3 | O3 | HO3 | 109.5° | 106.6° |
| C4 | C3 | H3 | 108.2° | 106.4° |
| C3 | C4 | O4 | 112.2° | 106.4° |
| C3 | C4 | C5 | 112.4° | 117.9° |
| C3 | C4 | H4 | 105.0° | 109.0° |
| O4 | C4 | C5 | 107.9° | 108.4° |
| O4 | C4 | H4 | 109.8° | 105.8° |
| C4 | O4 | HO4 | 109.5° | 106.0° |
| C5 | C4 | H4 | 109.6° | 108.7° |
| C4 | C5 | C6 | 114.4° | 112.1° |
| C4 | C5 | O5 | 109.1° | 110.4° |
| C4 | C5 | H5 | 106.2° | 110.1° |
| C6 | C5 | O5 | 109.1° | 108.2° |
| C6 | C5 | H5 | 106.2° | 108.1° |
| C5 | C6 | H61 | 109.5° | 110.3° |
| C5 | C6 | H62 | 109.5° | 111.5° |
| C5 | C6 | H63 | 109.5° | 111.3° |
| O5 | C5 | H5 | 111.8° | 107.8° |
| C5 | O5 | HO5 | 109.5° | 106.6° |
| H61 | C6 | H62 | 109.5° | 106.3° |
| H61 | C6 | H63 | 109.4° | 108.4° |
| H62 | C6 | H63 | 109.5° | 109.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | C1 | O1B | C2 | 179.6° | 178.1° |
| O1A | C1 | O1B | HO1B | 0.0° | 0.0° |
| O1A | C1 | C2 | O2 | 15.2° | 4.6° |
| O1A | C1 | C2 | C3 | 136.8° | 116.9° |
| O1A | C1 | C2 | H2 | 104.4° | 120.0° |
| O1B | C1 | C2 | O2 | 165.2° | 177.4° |
| O1B | C1 | C2 | C3 | 43.5° | 61.1° |
| O1B | C1 | C2 | H2 | 75.3° | 62.0° |
| C2 | C1 | O1B | HO1B | 179.6° | 178.1° |
| C1 | C2 | O2 | C3 | 123.4° | 126.2° |
| C1 | C2 | O2 | H2 | 117.7° | 115.1° |
| C1 | C2 | C3 | H2 | 117.7° | 121.5° |
| C1 | C2 | O2 | HO2 | 57.0° | 130.8° |
| C1 | C2 | C3 | O3 | 66.3° | 54.5° |
| C1 | C2 | C3 | C4 | 173.2° | 179.0° |
| C1 | C2 | C3 | H3 | 54.4° | 60.0° |
| O2 | C2 | C3 | H2 | 119.6° | 117.1° |
| O2 | C2 | C3 | O3 | 56.5° | 66.8° |
| O2 | C2 | C3 | C4 | 64.0° | 59.7° |
| O2 | C2 | C3 | H3 | 177.2° | 178.7° |
| C3 | C2 | O2 | HO2 | 179.6° | 4.7° |
| C2 | C3 | O3 | C4 | 122.6° | 130.4° |
| C2 | C3 | O3 | H3 | 118.5° | 115.3° |
| C2 | C3 | C4 | H3 | 118.4° | 119.3° |
| C2 | C3 | O3 | HO3 | 14.4° | 143.7° |
| C2 | C3 | C4 | O4 | 45.3° | 53.7° |
| C2 | C3 | C4 | C5 | 167.1° | 175.5° |
| C2 | C3 | C4 | H4 | 73.9° | 60.0° |
| H2 | C2 | O2 | HO2 | 60.7° | 114.0° |
| H2 | C2 | C3 | O3 | 176.1° | 176.1° |
| H2 | C2 | C3 | C4 | 55.6° | 57.4° |
| H2 | C2 | C3 | H3 | 63.3° | 61.6° |
| O3 | C3 | C4 | H3 | 120.7° | 113.7° |
| O3 | C3 | C4 | O4 | 166.2° | 179.3° |
| O3 | C3 | C4 | C5 | 72.1° | 57.5° |
| O3 | C3 | C4 | H4 | 47.0° | 67.0° |
| C4 | C3 | O3 | HO3 | 108.2° | 13.3° |
| C3 | C4 | O4 | C5 | 124.3° | 127.7° |
| C3 | C4 | O4 | H4 | 116.3° | 115.9° |
| C3 | C4 | C5 | H4 | 116.3° | 124.6° |
| C3 | C4 | O4 | HO4 | 137.5° | 48.6° |
| C3 | C4 | C5 | C6 | 168.9° | 175.4° |
| C3 | C4 | C5 | O5 | 68.6° | 54.6° |
| C3 | C4 | C5 | H5 | 52.1° | 64.3° |
| H3 | C3 | O3 | HO3 | 132.9° | 101.0° |
| H3 | C3 | C4 | O4 | 73.1° | 65.6° |
| H3 | C3 | C4 | C5 | 48.6° | 56.2° |
| H3 | C3 | C4 | H4 | 167.7° | 179.3° |
| O4 | C4 | C5 | H4 | 119.5° | 114.5° |
| O4 | C4 | C5 | C6 | 66.9° | 54.6° |
| O4 | C4 | C5 | O5 | 55.6° | 66.2° |
| O4 | C4 | C5 | H5 | 176.3° | 174.9° |
| C5 | C4 | O4 | HO4 | 13.2° | 79.1° |
| C4 | C5 | C6 | O5 | 122.5° | 122.0° |
| C4 | C5 | C6 | H5 | 116.8° | 121.5° |
| C4 | C5 | O5 | H5 | 117.1° | 120.3° |
| C4 | C5 | C6 | H61 | 165.1° | 66.4° |
| C4 | C5 | C6 | H62 | 74.9° | 51.5° |
| C4 | C5 | C6 | H63 | 45.1° | 173.3° |
| C4 | C5 | O5 | HO5 | 179.2° | 150.2° |
| H4 | C4 | O4 | HO4 | 106.2° | 164.5° |
| H4 | C4 | C5 | C6 | 52.6° | 60.0° |
| H4 | C4 | C5 | O5 | 175.1° | 179.3° |
| H4 | C4 | C5 | H5 | 64.2° | 60.4° |
| C6 | C5 | O5 | H5 | 117.2° | 116.7° |
| C5 | C6 | H61 | H62 | 120.0° | 121.0° |
| C5 | C6 | H61 | H63 | 120.0° | 122.0° |
| C5 | C6 | H62 | H63 | 120.0° | 123.2° |
| C6 | C5 | O5 | HO5 | 55.1° | 86.8° |
| O5 | C5 | C6 | H61 | 72.4° | 171.6° |
| O5 | C5 | C6 | H62 | 47.6° | 70.5° |
| O5 | C5 | C6 | H63 | 167.7° | 51.3° |
| H5 | C5 | C6 | H61 | 48.3° | 55.1° |
| H5 | C5 | C6 | H62 | 168.3° | 173.0° |
| H5 | C5 | C6 | H63 | 71.6° | 65.2° |
| H5 | C5 | O5 | HO5 | 62.0° | 29.9° |
| H61 | C6 | H62 | H63 | 120.0° | 116.6° |
