RVM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.61Å | |
| C5 | O5 | sing | 1.43Å | 1.49Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| O5 | C1 | sing | 1.43Å | 1.49Å | |
| C3 | O3 | sing | 1.43Å | 1.40Å | |
| C3 | C2 | sing | 1.53Å | 1.59Å | |
| O3 | C3O | sing | 1.43Å | 1.62Å | |
| C2 | O2 | sing | 1.43Å | 1.38Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| O2 | C2O | sing | 1.43Å | 1.55Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3O | H8 | sing | 1.09Å | 1.10Å | |
| C3O | H9 | sing | 1.09Å | 1.10Å | |
| C3O | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2O | H12 | sing | 1.09Å | 1.10Å | |
| C2O | H13 | sing | 1.09Å | 1.10Å | |
| C2O | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | O1 | sing | 1.43Å | 1.53Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 108.6° | 109.1° |
| C4 | C3 | O3 | 109.4° | 109.5° |
| C4 | C3 | C2 | 109.3° | 109.1° |
| C3 | C4 | H41 | 109.7° | 109.5° |
| C3 | C4 | H42 | 109.7° | 109.6° |
| C4 | C3 | H3 | 108.3° | 109.6° |
| C4 | C5 | O5 | 110.4° | 109.4° |
| C4 | C5 | C6 | 111.0° | 109.5° |
| C5 | C4 | H41 | 109.7° | 109.5° |
| C5 | C4 | H42 | 109.7° | 109.5° |
| C4 | C5 | H5 | 107.9° | 109.5° |
| O5 | C5 | C6 | 109.5° | 109.5° |
| C5 | O5 | C1 | 113.9° | 114.1° |
| O5 | C5 | H5 | 109.4° | 109.4° |
| C6 | C5 | H5 | 108.6° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.4° |
| C5 | C6 | H62 | 109.5° | 109.4° |
| C5 | C6 | H63 | 109.5° | 109.4° |
| O5 | C1 | C2 | 110.0° | 109.4° |
| O5 | C1 | H1 | 91.4° | 109.5° |
| O5 | C1 | O1 | 139.7° | 109.5° |
| O3 | C3 | C2 | 112.0° | 109.5° |
| C3 | O3 | C3O | 116.2° | 114.0° |
| O3 | C3 | H3 | 110.1° | 109.5° |
| C3 | C2 | O2 | 111.8° | 109.5° |
| C3 | C2 | C1 | 110.5° | 109.1° |
| C2 | C3 | H3 | 107.6° | 109.6° |
| C3 | C2 | H2 | 107.2° | 109.5° |
| O3 | C3O | H8 | 109.5° | 109.5° |
| O3 | C3O | H9 | 109.5° | 109.5° |
| O3 | C3O | H10 | 109.5° | 109.5° |
| O2 | C2 | C1 | 109.7° | 109.5° |
| C2 | O2 | C2O | 119.8° | 114.0° |
| O2 | C2 | H2 | 109.9° | 109.6° |
| C1 | C2 | H2 | 107.6° | 109.6° |
| C2 | C1 | H1 | 91.3° | 109.4° |
| C2 | C1 | O1 | 110.1° | 109.5° |
| O2 | C2O | H12 | 109.5° | 109.5° |
| O2 | C2O | H13 | 109.5° | 109.5° |
| O2 | C2O | H14 | 109.5° | 109.5° |
| H41 | C4 | H42 | 109.5° | 109.6° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H61 | C6 | H63 | 109.5° | 109.5° |
| H62 | C6 | H63 | 109.4° | 109.5° |
| H8 | C3O | H9 | 109.5° | 109.5° |
| H8 | C3O | H10 | 109.5° | 109.5° |
| H9 | C3O | H10 | 109.5° | 109.4° |
| H12 | C2O | H13 | 109.4° | 109.5° |
| H12 | C2O | H14 | 109.5° | 109.4° |
| H13 | C2O | H14 | 109.4° | 109.4° |
| H1 | C1 | O1 | 91.3° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H41 | 119.9° | 119.9° |
| C3 | C4 | C5 | H42 | 119.9° | 119.9° |
| C3 | C4 | C5 | O5 | 57.5° | 57.6° |
| C3 | C4 | C5 | C6 | 179.1° | 177.6° |
| C4 | C3 | O3 | C2 | 121.4° | 119.5° |
| C4 | C3 | O3 | H3 | 118.9° | 120.2° |
| C4 | C3 | C2 | H3 | 117.4° | 120.0° |
| C4 | C3 | O3 | C3O | 138.5° | 90.0° |
| C4 | C3 | C2 | O2 | 179.2° | 176.9° |
| C4 | C3 | C2 | C1 | 58.3° | 57.0° |
| C3 | C4 | H41 | H42 | 120.4° | 120.2° |
| C3 | C4 | C5 | H5 | 62.0° | 62.4° |
| C4 | C3 | C2 | H2 | 58.7° | 62.9° |
| C4 | C5 | O5 | C6 | 122.5° | 120.0° |
| C4 | C5 | O5 | H5 | 118.6° | 120.0° |
| C4 | C5 | C6 | H5 | 118.5° | 120.1° |
| C4 | C5 | O5 | C1 | 58.1° | 61.1° |
| C5 | C4 | C3 | O3 | 179.7° | 176.8° |
| C5 | C4 | C3 | C2 | 57.3° | 57.0° |
| C5 | C4 | H41 | H42 | 120.4° | 120.1° |
| C4 | C5 | C6 | H61 | 180.0° | 60.0° |
| C4 | C5 | C6 | H62 | 60.0° | 180.0° |
| C4 | C5 | C6 | H63 | 60.0° | 60.0° |
| C5 | C4 | C3 | H3 | 59.7° | 63.0° |
| O5 | C5 | C6 | H5 | 119.4° | 120.0° |
| C5 | O5 | C1 | C2 | 57.6° | 61.1° |
| O5 | C5 | C4 | H41 | 177.3° | 62.3° |
| O5 | C5 | C4 | H42 | 62.4° | 177.5° |
| O5 | C5 | C6 | H61 | 57.8° | 60.0° |
| O5 | C5 | C6 | H62 | 177.9° | 60.1° |
| O5 | C5 | C6 | H63 | 62.2° | 180.0° |
| C5 | O5 | C1 | H1 | 149.5° | 178.9° |
| C5 | O5 | C1 | O1 | 116.8° | 58.8° |
| C6 | C5 | O5 | C1 | 179.4° | 178.8° |
| C6 | C5 | C4 | H41 | 61.1° | 57.7° |
| C6 | C5 | C4 | H42 | 59.2° | 62.5° |
| C5 | C6 | H61 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H63 | 120.0° | 119.9° |
| C5 | C6 | H62 | H63 | 120.0° | 119.9° |
| O5 | C1 | C2 | C3 | 56.2° | 57.6° |
| O5 | C1 | C2 | O2 | 179.9° | 177.5° |
| O5 | C1 | C2 | H1 | 92.0° | 120.0° |
| O5 | C1 | C2 | O1 | 176.1° | 120.0° |
| C1 | O5 | C5 | H5 | 60.5° | 58.8° |
| O5 | C1 | C2 | H2 | 60.6° | 62.3° |
| O5 | C1 | H1 | O1 | 139.8° | 120.0° |
| O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
| O3 | C3 | C2 | H3 | 121.1° | 120.2° |
| O3 | C3 | C2 | O2 | 57.8° | 63.3° |
| O3 | C3 | C2 | C1 | 179.7° | 176.8° |
| O3 | C3 | C4 | H41 | 59.8° | 56.9° |
| O3 | C3 | C4 | H42 | 60.5° | 63.3° |
| C3 | O3 | C3O | H8 | 180.0° | 60.0° |
| C3 | O3 | C3O | H9 | 60.0° | 180.0° |
| C3 | O3 | C3O | H10 | 60.0° | 60.0° |
| O3 | C3 | C2 | H2 | 62.7° | 56.9° |
| C2 | C3 | O3 | C3O | 100.1° | 150.5° |
| C3 | C2 | O2 | C1 | 123.0° | 119.6° |
| C3 | C2 | O2 | H2 | 118.9° | 120.2° |
| C3 | C2 | C1 | H2 | 116.7° | 119.9° |
| C3 | C2 | O2 | C2O | 102.9° | 150.0° |
| C2 | C3 | C4 | H41 | 177.2° | 62.9° |
| C2 | C3 | C4 | H42 | 62.5° | 176.9° |
| C3 | C2 | C1 | H1 | 148.1° | 177.6° |
| C3 | C2 | C1 | O1 | 120.0° | 62.4° |
| C3O | O3 | C3 | H3 | 19.6° | 30.2° |
| O3 | C3O | H8 | H9 | 120.0° | 120.0° |
| O3 | C3O | H8 | H10 | 120.0° | 120.1° |
| O3 | C3O | H9 | H10 | 120.0° | 120.0° |
| O2 | C2 | C1 | H2 | 119.5° | 120.2° |
| O2 | C2 | C3 | H3 | 63.4° | 56.9° |
| C2 | O2 | C2O | H12 | 180.0° | 180.0° |
| C2 | O2 | C2O | H13 | 60.0° | 60.0° |
| C2 | O2 | C2O | H14 | 60.0° | 60.0° |
| O2 | C2 | C1 | H1 | 88.2° | 62.5° |
| O2 | C2 | C1 | O1 | 3.8° | 57.5° |
| C1 | C2 | O2 | C2O | 134.1° | 90.3° |
| C1 | C2 | C3 | H3 | 59.2° | 63.0° |
| C2 | C1 | H1 | O1 | 110.2° | 120.0° |
| C2 | C1 | O1 | HO1 | 5.6° | 180.0° |
| C2O | O2 | C2 | H2 | 15.9° | 29.9° |
| O2 | C2O | H12 | H13 | 120.0° | 120.1° |
| O2 | C2O | H12 | H14 | 120.0° | 120.0° |
| O2 | C2O | H13 | H14 | 120.0° | 120.0° |
| H41 | C4 | C5 | H5 | 57.8° | 177.7° |
| H41 | C4 | C3 | H3 | 60.2° | 177.1° |
| H42 | C4 | C5 | H5 | 178.1° | 57.6° |
| H42 | C4 | C3 | H3 | 179.5° | 56.9° |
| H5 | C5 | C6 | H61 | 61.5° | 180.0° |
| H5 | C5 | C6 | H62 | 58.5° | 59.9° |
| H5 | C5 | C6 | H63 | 178.5° | 60.0° |
| H61 | C6 | H62 | H63 | 120.0° | 120.1° |
| H3 | C3 | C2 | H2 | 176.1° | 177.1° |
| H8 | C3O | H9 | H10 | 120.0° | 120.0° |
| H2 | C2 | C1 | H1 | 31.4° | 57.7° |
| H2 | C2 | C1 | O1 | 123.3° | 177.7° |
| H12 | C2O | H13 | H14 | 120.0° | 119.9° |
| H1 | C1 | O1 | HO1 | 86.3° | 60.0° |
