VUN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C1 | O | sing | 1.43Å | 1.38Å | |
| O | C3 | sing | 1.43Å | 1.40Å | |
| C3 | C4 | sing | 1.51Å | 1.48Å | |
| C5 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.36Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.35Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.35Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.36Å | Aromatic |
| O1 | C10 | doub | 1.21Å | 1.24Å | |
| C7 | C8 | sing | 1.40Å | 1.35Å | Aromatic |
| C7 | C10 | sing | 1.48Å | 1.47Å | |
| C10 | O2 | sing | 1.35Å | 1.22Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| O2 | H11 | sing | 0.97Å | 0.95Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 111.3° | 109.5° |
| C | C1 | O | 107.3° | 109.5° |
| C | C1 | H3 | 110.0° | 109.5° |
| C1 | C | H12 | 109.5° | 109.5° |
| C1 | C | H13 | 109.5° | 109.4° |
| C1 | C | H14 | 109.5° | 109.5° |
| C2 | C1 | O | 106.4° | 109.4° |
| C2 | C1 | H3 | 109.9° | 109.5° |
| C1 | C2 | H8 | 109.5° | 109.5° |
| C1 | C2 | H9 | 109.5° | 109.5° |
| C1 | C2 | H10 | 109.5° | 109.5° |
| C1 | O | C3 | 117.1° | 114.0° |
| O | C1 | H3 | 111.8° | 109.5° |
| O | C3 | C4 | 107.7° | 109.5° |
| O | C3 | H6 | 109.9° | 109.5° |
| O | C3 | H7 | 109.9° | 109.5° |
| C3 | C4 | C5 | 121.5° | 119.9° |
| C3 | C4 | C9 | 119.1° | 119.8° |
| C4 | C3 | H6 | 109.9° | 109.5° |
| C4 | C3 | H7 | 109.9° | 109.5° |
| C4 | C5 | C6 | 121.0° | 120.2° |
| C5 | C4 | C9 | 119.3° | 120.3° |
| C4 | C5 | H4 | 119.5° | 119.9° |
| C5 | C6 | C7 | 118.5° | 119.8° |
| C6 | C5 | H4 | 119.5° | 119.9° |
| C5 | C6 | H5 | 120.7° | 120.0° |
| C4 | C9 | C8 | 119.7° | 120.1° |
| C4 | C9 | H2 | 120.1° | 120.0° |
| C6 | C7 | C8 | 121.1° | 119.7° |
| C6 | C7 | C10 | 120.2° | 120.1° |
| C7 | C6 | H5 | 120.8° | 120.1° |
| C9 | C8 | C7 | 120.3° | 119.9° |
| C9 | C8 | H1 | 119.9° | 120.1° |
| C8 | C9 | H2 | 120.2° | 119.9° |
| O1 | C10 | C7 | 116.7° | 120.0° |
| O1 | C10 | O2 | 128.4° | 120.0° |
| C8 | C7 | C10 | 118.5° | 120.2° |
| C7 | C8 | H1 | 119.8° | 120.1° |
| C7 | C10 | O2 | 114.9° | 120.0° |
| C10 | O2 | H11 | 109.5° | 116.9° |
| H6 | C3 | H7 | 109.5° | 109.4° |
| H8 | C2 | H9 | 109.5° | 109.5° |
| H8 | C2 | H10 | 109.5° | 109.5° |
| H9 | C2 | H10 | 109.4° | 109.5° |
| H12 | C | H13 | 109.5° | 109.5° |
| H12 | C | H14 | 109.4° | 109.5° |
| H13 | C | H14 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | O | 116.6° | 120.0° |
| C | C1 | C2 | H3 | 122.2° | 120.0° |
| C | C1 | O | H3 | 120.7° | 120.0° |
| C | C1 | O | C3 | 162.5° | 150.0° |
| C | C1 | C2 | H8 | 180.0° | 60.0° |
| C | C1 | C2 | H9 | 60.0° | 180.0° |
| C | C1 | C2 | H10 | 60.0° | 60.0° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| C1 | C | H12 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C2 | C1 | O | H3 | 120.0° | 120.0° |
| C2 | C1 | O | C3 | 43.3° | 90.0° |
| C1 | C2 | H8 | H9 | 120.0° | 120.0° |
| C1 | C2 | H8 | H10 | 120.0° | 120.0° |
| C1 | C2 | H9 | H10 | 120.0° | 120.0° |
| C2 | C1 | C | H12 | 180.0° | 60.0° |
| C2 | C1 | C | H13 | 60.0° | 60.0° |
| C2 | C1 | C | H14 | 60.0° | 180.0° |
| C1 | O | C3 | C4 | 126.3° | 180.0° |
| C1 | O | C3 | H6 | 114.0° | 60.0° |
| C1 | O | C3 | H7 | 6.6° | 59.9° |
| O | C1 | C2 | H8 | 63.4° | 60.0° |
| O | C1 | C2 | H9 | 56.6° | 60.0° |
| O | C1 | C2 | H10 | 176.6° | 180.0° |
| O | C1 | C | H12 | 63.9° | 60.0° |
| O | C1 | C | H13 | 176.0° | 180.0° |
| O | C1 | C | H14 | 56.1° | 60.0° |
| O | C3 | C4 | H6 | 119.7° | 120.0° |
| O | C3 | C4 | H7 | 119.7° | 120.1° |
| O | C3 | C4 | C5 | 0.6° | 90.0° |
| O | C3 | C4 | C9 | 175.9° | 90.7° |
| C3 | O | C1 | H3 | 76.8° | 30.0° |
| O | C3 | H6 | H7 | 120.8° | 120.0° |
| C3 | C4 | C5 | C9 | 175.3° | 179.2° |
| C3 | C4 | C5 | C6 | 172.1° | 180.0° |
| C3 | C4 | C9 | C8 | 172.7° | 179.8° |
| C3 | C4 | C9 | H2 | 7.3° | 0.2° |
| C3 | C4 | C5 | H4 | 7.8° | 0.8° |
| C4 | C3 | H6 | H7 | 120.8° | 120.0° |
| C4 | C5 | C6 | H4 | 180.0° | 179.2° |
| C4 | C5 | C6 | C7 | 0.4° | 0.5° |
| C5 | C4 | C9 | C8 | 2.8° | 0.5° |
| C5 | C4 | C9 | H2 | 177.2° | 179.5° |
| C4 | C5 | C6 | H5 | 179.6° | 180.0° |
| C5 | C4 | C3 | H6 | 120.3° | 150.0° |
| C5 | C4 | C3 | H7 | 119.1° | 30.1° |
| C6 | C5 | C4 | C9 | 3.2° | 0.8° |
| C5 | C6 | C7 | H5 | 180.0° | 179.5° |
| C5 | C6 | C7 | C8 | 2.8° | 0.0° |
| C5 | C6 | C7 | C10 | 171.8° | 179.7° |
| C4 | C9 | C8 | H2 | 180.0° | 180.0° |
| C4 | C9 | C8 | C7 | 0.3° | 0.0° |
| C4 | C9 | C8 | H1 | 179.7° | 180.0° |
| C9 | C4 | C5 | H4 | 176.9° | 180.0° |
| C9 | C4 | C3 | H6 | 64.4° | 29.3° |
| C9 | C4 | C3 | H7 | 56.2° | 149.2° |
| C6 | C7 | C8 | C9 | 3.1° | 0.3° |
| C6 | C7 | C10 | O1 | 20.5° | 179.7° |
| C6 | C7 | C8 | C10 | 174.6° | 179.7° |
| C6 | C7 | C10 | O2 | 161.0° | 0.3° |
| C6 | C7 | C8 | H1 | 176.9° | 179.8° |
| C7 | C6 | C5 | H4 | 179.6° | 179.7° |
| C9 | C8 | C7 | H1 | 180.0° | 180.0° |
| C9 | C8 | C7 | C10 | 171.5° | 180.0° |
| O1 | C10 | C7 | C8 | 154.1° | 0.0° |
| O1 | C10 | C7 | O2 | 178.5° | 180.0° |
| O1 | C10 | O2 | H11 | 0.0° | 0.1° |
| C8 | C7 | C10 | O2 | 24.3° | 180.0° |
| C7 | C8 | C9 | H2 | 179.7° | 180.0° |
| C8 | C7 | C6 | H5 | 177.3° | 179.5° |
| C10 | C7 | C8 | H1 | 8.5° | 0.0° |
| C10 | C7 | C6 | H5 | 8.2° | 0.3° |
| C7 | C10 | O2 | H11 | 178.2° | 180.0° |
| H1 | C8 | C9 | H2 | 0.3° | 0.0° |
| H3 | C1 | C2 | H8 | 57.8° | NaN° |
| H3 | C1 | C2 | H9 | 177.8° | 60.0° |
| H3 | C1 | C2 | H10 | 62.2° | 60.0° |
| H3 | C1 | C | H12 | 57.9° | 180.0° |
| H3 | C1 | C | H13 | 62.1° | 60.0° |
| H3 | C1 | C | H14 | 177.9° | 60.0° |
| H4 | C5 | C6 | H5 | 0.4° | 0.8° |
| H8 | C2 | H9 | H10 | 120.0° | 120.0° |
| H12 | C | H13 | H14 | 120.0° | 120.0° |
