V1U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.40Å | |
| C1 | O | sing | 1.43Å | 1.40Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | O1 | sing | 1.43Å | 1.41Å | |
| O3 | C9 | doub | 1.22Å | 1.22Å | |
| O1 | C3 | sing | 1.36Å | 1.38Å | |
| C9 | O2 | sing | 1.35Å | 1.23Å | |
| C9 | C8 | sing | 1.47Å | 1.51Å | |
| C3 | C8 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| O2 | H9 | sing | 0.97Å | 0.95Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 112.9° | 114.0° |
| O | C | H10 | 109.5° | 109.5° |
| O | C | H11 | 109.5° | 109.5° |
| O | C | H12 | 109.5° | 109.4° |
| O | C1 | C2 | 106.6° | 109.4° |
| O | C1 | H2 | 110.2° | 109.5° |
| O | C1 | H3 | 110.2° | 109.5° |
| C1 | C2 | O1 | 102.6° | 109.5° |
| C2 | C1 | H2 | 110.2° | 109.5° |
| C2 | C1 | H3 | 110.2° | 109.5° |
| C1 | C2 | H7 | 111.2° | 109.5° |
| C1 | C2 | H8 | 111.2° | 109.4° |
| C2 | O1 | C3 | 118.9° | 117.0° |
| O1 | C2 | H7 | 111.2° | 109.5° |
| O1 | C2 | H8 | 111.2° | 109.5° |
| O3 | C9 | O2 | 127.0° | 119.9° |
| O3 | C9 | C8 | 113.8° | 120.0° |
| O1 | C3 | C8 | 126.5° | 120.1° |
| O1 | C3 | C4 | 113.7° | 120.1° |
| O2 | C9 | C8 | 119.2° | 120.0° |
| C9 | O2 | H9 | 109.5° | 117.0° |
| C9 | C8 | C3 | 127.5° | 120.2° |
| C9 | C8 | C7 | 114.0° | 120.2° |
| C8 | C3 | C4 | 119.8° | 119.7° |
| C3 | C8 | C7 | 118.4° | 119.6° |
| C3 | C4 | C5 | 119.5° | 120.1° |
| C3 | C4 | H6 | 120.3° | 120.0° |
| C8 | C7 | C6 | 121.8° | 119.9° |
| C8 | C7 | H1 | 119.1° | 120.0° |
| C4 | C5 | C6 | 120.9° | 120.4° |
| C4 | C5 | H4 | 119.5° | 119.8° |
| C5 | C4 | H6 | 120.2° | 119.9° |
| C7 | C6 | C5 | 119.5° | 120.3° |
| C6 | C7 | H1 | 119.1° | 120.0° |
| C7 | C6 | H5 | 120.2° | 119.9° |
| C6 | C5 | H4 | 119.5° | 119.8° |
| C5 | C6 | H5 | 120.3° | 119.9° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H7 | C2 | H8 | 109.4° | 109.4° |
| H10 | C | H11 | 109.5° | 109.5° |
| H10 | C | H12 | 109.5° | 109.5° |
| H11 | C | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | C2 | 124.0° | 180.0° |
| C | O | C1 | H2 | 4.5° | 60.0° |
| C | O | C1 | H3 | 116.4° | 60.0° |
| O | C | H10 | H11 | 120.0° | 120.1° |
| O | C | H10 | H12 | 120.0° | 120.0° |
| O | C | H11 | H12 | 120.0° | 120.0° |
| O | C1 | C2 | H2 | 119.5° | 120.0° |
| O | C1 | C2 | H3 | 119.6° | 120.0° |
| O | C1 | C2 | O1 | 132.4° | 65.0° |
| O | C1 | H2 | H3 | 121.3° | 120.0° |
| O | C1 | C2 | H7 | 13.5° | 55.1° |
| O | C1 | C2 | H8 | 108.7° | 175.0° |
| C1 | O | C | H10 | 180.0° | 60.0° |
| C1 | O | C | H11 | 60.0° | 60.0° |
| C1 | O | C | H12 | 60.0° | 180.0° |
| C1 | C2 | O1 | H7 | 118.9° | 120.1° |
| C1 | C2 | O1 | H8 | 118.9° | 120.0° |
| C1 | C2 | O1 | C3 | 164.8° | 180.0° |
| C2 | C1 | H2 | H3 | 121.3° | 120.1° |
| C1 | C2 | H7 | H8 | 123.2° | 119.9° |
| C2 | O1 | C3 | C8 | 13.7° | 179.9° |
| C2 | O1 | C3 | C4 | 168.2° | 0.0° |
| O1 | C2 | C1 | H2 | 108.0° | 175.0° |
| O1 | C2 | C1 | H3 | 12.9° | 54.9° |
| O1 | C2 | H7 | H8 | 123.2° | 120.0° |
| O3 | C9 | O2 | C8 | 178.5° | 180.0° |
| O3 | C9 | C8 | C3 | 122.6° | 0.1° |
| O3 | C9 | C8 | C7 | 54.4° | 180.0° |
| O3 | C9 | O2 | H9 | 0.0° | 0.0° |
| O1 | C3 | C8 | C9 | 6.7° | 0.1° |
| O1 | C3 | C8 | C4 | 178.0° | 179.9° |
| O1 | C3 | C8 | C7 | 176.4° | 180.0° |
| O1 | C3 | C4 | C5 | 177.6° | 179.8° |
| O1 | C3 | C4 | H6 | 2.4° | 0.3° |
| C3 | O1 | C2 | H7 | 76.3° | 60.0° |
| C3 | O1 | C2 | H8 | 45.9° | 60.0° |
| O2 | C9 | C8 | C3 | 58.7° | 180.0° |
| O2 | C9 | C8 | C7 | 124.3° | 0.0° |
| C9 | C8 | C3 | C7 | 176.9° | 179.9° |
| C9 | C8 | C3 | C4 | 175.3° | 180.0° |
| C9 | C8 | C7 | C6 | 176.2° | 180.0° |
| C9 | C8 | C7 | H1 | 3.8° | 0.3° |
| C8 | C9 | O2 | H9 | 178.5° | 179.9° |
| C8 | C3 | C4 | C5 | 0.6° | 0.3° |
| C3 | C8 | C7 | C6 | 1.1° | 0.1° |
| C3 | C8 | C7 | H1 | 178.9° | 179.8° |
| C8 | C3 | C4 | H6 | 179.4° | 179.8° |
| C4 | C3 | C8 | C7 | 1.6° | 0.1° |
| C3 | C4 | C5 | H6 | 180.0° | 179.5° |
| C3 | C4 | C5 | C6 | 0.8° | 0.5° |
| C3 | C4 | C5 | H4 | 179.2° | 180.0° |
| C8 | C7 | C6 | H1 | 180.0° | 179.8° |
| C8 | C7 | C6 | C5 | 0.3° | 0.3° |
| C8 | C7 | C6 | H5 | 179.7° | 179.7° |
| C4 | C5 | C6 | C7 | 1.3° | 0.5° |
| C4 | C5 | C6 | H4 | 180.0° | 179.4° |
| C4 | C5 | C6 | H5 | 178.7° | 179.5° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C7 | C6 | C5 | H4 | 178.8° | 180.0° |
| C5 | C6 | C7 | H1 | 179.7° | 180.0° |
| C6 | C5 | C4 | H6 | 179.2° | 179.9° |
| H1 | C7 | C6 | H5 | 0.3° | 0.0° |
| H2 | C1 | C2 | H7 | 133.1° | 64.9° |
| H2 | C1 | C2 | H8 | 10.9° | 55.0° |
| H3 | C1 | C2 | H7 | 106.0° | 175.0° |
| H3 | C1 | C2 | H8 | 131.8° | 65.1° |
| H4 | C5 | C6 | H5 | 1.3° | 0.0° |
| H4 | C5 | C4 | H6 | 0.8° | 0.5° |
| H10 | C | H11 | H12 | 120.0° | 120.0° |
