VOW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | B | sing | 1.42Å | 1.32Å | |
| C5 | C4 | doub | 1.38Å | 1.36Å | Aromatic |
| C5 | C | sing | 1.40Å | 1.38Å | Aromatic |
| B | O1 | sing | 1.42Å | 1.32Å | |
| B | C | sing | 1.57Å | 1.45Å | |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C | C1 | doub | 1.40Å | 1.43Å | Aromatic |
| C3 | O | sing | 1.36Å | 1.40Å | |
| C3 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.43Å | Aromatic |
| O | C6 | sing | 1.43Å | 1.41Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| O1 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | B | O1 | 112.2° | 120.0° |
| O2 | B | C | 117.6° | 120.0° |
| B | O2 | H10 | 109.5° | 114.0° |
| C4 | C5 | C | 121.8° | 120.0° |
| C5 | C4 | C3 | 121.1° | 120.1° |
| C4 | C5 | H5 | 119.1° | 120.0° |
| C5 | C4 | H8 | 119.5° | 120.0° |
| C5 | C | B | 114.3° | 120.1° |
| C5 | C | C1 | 118.8° | 119.9° |
| C | C5 | H5 | 119.1° | 120.0° |
| O1 | B | C | 130.1° | 120.0° |
| B | O1 | H11 | 109.5° | 114.1° |
| B | C | C1 | 126.8° | 120.1° |
| C4 | C3 | O | 118.4° | 120.0° |
| C4 | C3 | C2 | 120.7° | 120.1° |
| C3 | C4 | H8 | 119.4° | 119.9° |
| C | C1 | C2 | 119.9° | 119.9° |
| C | C1 | H4 | 120.1° | 120.0° |
| O | C3 | C2 | 120.3° | 119.9° |
| C3 | O | C6 | 124.2° | 117.0° |
| C3 | C2 | C1 | 117.7° | 120.1° |
| C3 | C2 | H9 | 121.1° | 120.0° |
| C2 | C1 | H4 | 120.1° | 120.0° |
| C1 | C2 | H9 | 121.2° | 120.0° |
| O | C6 | C7 | 99.9° | 109.5° |
| O | C6 | H6 | 111.8° | 109.5° |
| O | C6 | H7 | 111.8° | 109.5° |
| C6 | C7 | H1 | 109.5° | 109.5° |
| C6 | C7 | H2 | 109.5° | 109.4° |
| C6 | C7 | H3 | 109.5° | 109.5° |
| C7 | C6 | H6 | 111.8° | 109.5° |
| C7 | C6 | H7 | 111.8° | 109.5° |
| H1 | C7 | H2 | 109.4° | 109.5° |
| H1 | C7 | H3 | 109.5° | 109.5° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | B | C | C5 | 5.9° | 0.0° |
| O2 | B | O1 | C | 176.4° | 180.0° |
| O2 | B | C | C1 | 171.5° | 180.0° |
| O2 | B | O1 | H11 | 180.0° | 180.0° |
| C4 | C5 | C | H5 | 180.0° | 179.8° |
| C4 | C5 | C | B | 176.3° | 180.0° |
| C5 | C4 | C3 | H8 | 180.0° | 179.8° |
| C4 | C5 | C | C1 | 1.4° | 0.0° |
| C5 | C4 | C3 | O | 168.7° | 179.9° |
| C5 | C4 | C3 | C2 | 2.4° | 0.5° |
| C5 | C | B | O1 | 177.8° | 180.0° |
| C5 | C | B | C1 | 177.4° | 180.0° |
| C | C5 | C4 | C3 | 0.7° | 0.2° |
| C5 | C | C1 | C2 | 1.7° | 0.0° |
| C5 | C | C1 | H4 | 178.2° | 179.7° |
| C | C5 | C4 | H8 | 179.3° | 179.9° |
| O1 | B | C | C1 | 4.7° | 0.0° |
| O1 | B | O2 | H10 | 180.0° | 0.0° |
| B | C | C1 | C2 | 175.6° | 180.0° |
| B | C | C1 | H4 | 4.4° | 0.3° |
| B | C | C5 | H5 | 3.7° | 0.3° |
| C | B | O2 | H10 | 3.1° | 180.0° |
| C | B | O1 | H11 | 3.6° | 0.0° |
| C4 | C3 | O | C2 | 171.1° | 179.4° |
| C4 | C3 | C2 | C1 | 1.9° | 0.6° |
| C4 | C3 | O | C6 | 170.9° | 180.0° |
| C3 | C4 | C5 | H5 | 179.3° | 180.0° |
| C4 | C3 | C2 | H9 | 178.1° | 179.5° |
| C | C1 | C2 | C3 | 0.1° | 0.3° |
| C | C1 | C2 | H4 | 180.0° | 179.6° |
| C1 | C | C5 | H5 | 178.7° | 179.8° |
| C | C1 | C2 | H9 | 179.9° | 179.7° |
| O | C3 | C2 | C1 | 168.9° | 180.0° |
| C3 | O | C6 | C7 | 148.3° | 179.9° |
| C3 | O | C6 | H6 | 29.8° | 60.0° |
| C3 | O | C6 | H7 | 93.3° | 59.9° |
| O | C3 | C4 | H8 | 11.4° | 0.3° |
| O | C3 | C2 | H9 | 11.0° | 0.1° |
| C3 | C2 | C1 | H9 | 180.0° | 179.9° |
| C2 | C3 | O | C6 | 0.2° | 0.6° |
| C3 | C2 | C1 | H4 | 179.9° | 180.0° |
| C2 | C3 | C4 | H8 | 177.6° | 179.7° |
| O | C6 | C7 | H6 | 118.4° | 120.0° |
| O | C6 | C7 | H7 | 118.4° | 120.0° |
| O | C6 | C7 | H1 | 180.0° | 180.0° |
| O | C6 | C7 | H2 | 60.0° | 60.0° |
| O | C6 | C7 | H3 | 60.0° | 60.0° |
| O | C6 | H6 | H7 | 124.5° | 119.9° |
| C6 | C7 | H1 | H2 | 120.0° | 120.0° |
| C6 | C7 | H1 | H3 | 120.0° | 120.0° |
| C6 | C7 | H2 | H3 | 120.0° | 120.0° |
| C7 | C6 | H6 | H7 | 124.4° | 120.0° |
| H1 | C7 | H2 | H3 | 120.0° | 120.0° |
| H1 | C7 | C6 | H6 | 61.6° | 59.9° |
| H1 | C7 | C6 | H7 | 61.5° | 60.0° |
| H2 | C7 | C6 | H6 | 178.5° | 60.0° |
| H2 | C7 | C6 | H7 | 58.4° | 180.0° |
| H3 | C7 | C6 | H6 | 58.5° | 180.0° |
| H3 | C7 | C6 | H7 | 178.4° | 60.0° |
| H4 | C1 | C2 | H9 | 0.1° | 0.1° |
| H5 | C5 | C4 | H8 | 0.8° | 0.2° |
