FOC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.34Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.41Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C6 | H63 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 108.3° | 109.5° |
| O1 | C1 | H11 | 112.7° | 109.5° |
| O1 | C1 | H12 | 112.6° | 109.5° |
| C1 | O1 | HO1 | 108.3° | 106.9° |
| C2 | C1 | H11 | 112.6° | 109.5° |
| C2 | C1 | H12 | 112.7° | 109.4° |
| C1 | C2 | O2 | 106.5° | 109.5° |
| C1 | C2 | C3 | 114.3° | 109.5° |
| C1 | C2 | H2 | 108.0° | 109.5° |
| H11 | C1 | H12 | 97.8° | 109.5° |
| O2 | C2 | C3 | 108.6° | 109.5° |
| O2 | C2 | H2 | 113.7° | 109.4° |
| C2 | O2 | HO2 | 106.6° | 106.7° |
| C3 | C2 | H2 | 105.9° | 109.5° |
| C2 | C3 | O3 | 109.0° | 109.5° |
| C2 | C3 | C4 | 111.6° | 109.5° |
| C2 | C3 | H3 | 108.2° | 109.4° |
| O3 | C3 | C4 | 108.7° | 109.5° |
| O3 | C3 | H3 | 111.0° | 109.5° |
| C3 | O3 | HO3 | 109.0° | 106.7° |
| C4 | C3 | H3 | 108.4° | 109.4° |
| C3 | C4 | O4 | 109.3° | 109.5° |
| C3 | C4 | C5 | 114.3° | 109.5° |
| C3 | C4 | H4 | 105.9° | 109.5° |
| O4 | C4 | C5 | 108.1° | 109.4° |
| O4 | C4 | H4 | 112.3° | 109.5° |
| C4 | O4 | HO4 | 109.3° | 106.8° |
| C5 | C4 | H4 | 107.1° | 109.5° |
| C4 | C5 | O5 | 106.3° | 109.5° |
| C4 | C5 | C6 | 106.2° | 109.5° |
| C4 | C5 | H5 | 112.6° | 109.4° |
| O5 | C5 | C6 | 106.5° | 109.5° |
| O5 | C5 | H5 | 112.4° | 109.5° |
| C5 | O5 | HO5 | 106.3° | 106.8° |
| C6 | C5 | H5 | 112.3° | 109.4° |
| C5 | C6 | H61 | 106.2° | 109.6° |
| C5 | C6 | H62 | 113.5° | 109.5° |
| C5 | C6 | H63 | 113.5° | 109.5° |
| H61 | C6 | H62 | 113.5° | 109.4° |
| H61 | C6 | H63 | 113.4° | 109.4° |
| H62 | C6 | H63 | 97.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H11 | 125.2° | 120.0° |
| O1 | C1 | C2 | H12 | 125.2° | 120.0° |
| O1 | C1 | H11 | H12 | 118.6° | 120.0° |
| O1 | C1 | C2 | O2 | 18.3° | 59.9° |
| O1 | C1 | C2 | C3 | 138.3° | 180.0° |
| O1 | C1 | C2 | H2 | 104.2° | 60.0° |
| C2 | C1 | H11 | H12 | 118.6° | 119.9° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | C2 | O2 | C3 | 123.6° | 120.1° |
| C1 | C2 | O2 | H2 | 118.8° | 120.0° |
| C1 | C2 | C3 | H2 | 118.8° | 120.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.1° |
| C1 | C2 | C3 | O3 | 83.1° | 60.0° |
| C1 | C2 | C3 | C4 | 156.8° | 180.0° |
| C1 | C2 | C3 | H3 | 37.7° | 60.0° |
| H11 | C1 | O1 | HO1 | 54.7° | 60.0° |
| H11 | C1 | C2 | O2 | 106.9° | 180.0° |
| H11 | C1 | C2 | C3 | 13.0° | 60.0° |
| H11 | C1 | C2 | H2 | 130.6° | 60.0° |
| H12 | C1 | O1 | HO1 | 54.8° | 60.0° |
| H12 | C1 | C2 | O2 | 143.5° | 60.1° |
| H12 | C1 | C2 | C3 | 96.5° | 60.0° |
| H12 | C1 | C2 | H2 | 21.1° | 180.0° |
| O2 | C2 | C3 | H2 | 122.5° | 119.9° |
| O2 | C2 | C3 | O3 | 35.7° | 60.1° |
| O2 | C2 | C3 | C4 | 84.4° | 60.0° |
| O2 | C2 | C3 | H3 | 156.5° | 180.0° |
| C3 | C2 | O2 | HO2 | 56.4° | 60.0° |
| C2 | C3 | O3 | C4 | 121.9° | 120.1° |
| C2 | C3 | O3 | H3 | 119.0° | 119.9° |
| C2 | C3 | C4 | H3 | 119.0° | 119.9° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.1° |
| C2 | C3 | C4 | O4 | 36.8° | 60.0° |
| C2 | C3 | C4 | C5 | 158.1° | 180.0° |
| C2 | C3 | C4 | H4 | 84.3° | 60.0° |
| H2 | C2 | O2 | HO2 | 61.2° | 179.9° |
| H2 | C2 | C3 | O3 | 158.2° | 180.0° |
| H2 | C2 | C3 | C4 | 38.1° | 59.9° |
| H2 | C2 | C3 | H3 | 81.1° | 60.0° |
| O3 | C3 | C4 | H3 | 120.7° | 120.0° |
| O3 | C3 | C4 | O4 | 157.0° | 180.0° |
| O3 | C3 | C4 | C5 | 81.6° | 60.0° |
| O3 | C3 | C4 | H4 | 35.9° | 60.0° |
| C4 | C3 | O3 | HO3 | 58.1° | 60.0° |
| C3 | C4 | O4 | C5 | 125.0° | 120.0° |
| C3 | C4 | O4 | H4 | 117.1° | 120.0° |
| C3 | C4 | C5 | H4 | 116.9° | 120.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | O5 | 78.1° | 60.0° |
| C3 | C4 | C5 | C6 | 168.7° | 180.0° |
| C3 | C4 | C5 | H5 | 45.4° | 60.0° |
| H3 | C3 | O3 | HO3 | 61.0° | 180.0° |
| H3 | C3 | C4 | O4 | 82.2° | 60.0° |
| H3 | C3 | C4 | C5 | 39.1° | 60.0° |
| H3 | C3 | C4 | H4 | 156.7° | 180.0° |
| O4 | C4 | C5 | H4 | 121.2° | 120.0° |
| O4 | C4 | C5 | O5 | 43.9° | 60.0° |
| O4 | C4 | C5 | C6 | 69.3° | 60.1° |
| O4 | C4 | C5 | H5 | 167.3° | 180.0° |
| C5 | C4 | O4 | HO4 | 55.0° | 60.0° |
| C4 | C5 | O5 | C6 | 113.0° | 120.1° |
| C4 | C5 | O5 | H5 | 123.6° | 119.9° |
| C4 | C5 | C6 | H5 | 123.5° | 119.9° |
| C4 | C5 | O5 | HO5 | 180.0° | 60.1° |
| C4 | C5 | C6 | H61 | 180.0° | 180.0° |
| C4 | C5 | C6 | H62 | 54.7° | 60.0° |
| C4 | C5 | C6 | H63 | 54.8° | 60.0° |
| H4 | C4 | O4 | HO4 | 62.8° | 180.0° |
| H4 | C4 | C5 | O5 | 165.1° | 179.9° |
| H4 | C4 | C5 | C6 | 51.9° | 60.0° |
| H4 | C4 | C5 | H5 | 71.5° | 60.0° |
| O5 | C5 | C6 | H5 | 123.4° | 120.0° |
| O5 | C5 | C6 | H61 | 67.0° | 60.0° |
| O5 | C5 | C6 | H62 | 58.3° | 60.1° |
| O5 | C5 | C6 | H63 | 167.8° | 179.9° |
| C6 | C5 | O5 | HO5 | 67.0° | 60.0° |
| C5 | C6 | H61 | H62 | 125.3° | 120.1° |
| C5 | C6 | H61 | H63 | 125.3° | 120.0° |
| C5 | C6 | H62 | H63 | 119.4° | 120.0° |
| H5 | C5 | O5 | HO5 | 56.4° | 180.0° |
| H5 | C5 | C6 | H61 | 56.4° | 60.0° |
| H5 | C5 | C6 | H62 | 178.2° | 179.9° |
| H5 | C5 | C6 | H63 | 68.8° | 59.9° |
| H61 | C6 | H62 | H63 | 119.3° | 119.9° |
