VW8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | O | sing | 1.36Å | 1.38Å | |
| O | C6 | sing | 1.43Å | 1.40Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| N1 | C7 | doub | 1.29Å | 1.33Å | |
| C7 | N | sing | 1.37Å | 1.36Å | |
| N | O1 | sing | 1.42Å | 1.34Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å | |
| C1 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| C | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C5 | C4 | 120.3° | 120.0° |
| C5 | C | C1 | 120.5° | 120.1° |
| C | C5 | H4 | 119.9° | 120.0° |
| C5 | C | H10 | 119.7° | 120.0° |
| C5 | C4 | C3 | 117.9° | 120.0° |
| C4 | C5 | H4 | 119.8° | 120.0° |
| C5 | C4 | H7 | 121.1° | 120.0° |
| C | C1 | C2 | 120.1° | 120.0° |
| C | C1 | H3 | 119.9° | 120.0° |
| C1 | C | H10 | 119.7° | 119.9° |
| C4 | C3 | C2 | 123.1° | 119.9° |
| C4 | C3 | O | 119.8° | 120.0° |
| C3 | C4 | H7 | 121.0° | 120.0° |
| C1 | C2 | C3 | 118.1° | 120.0° |
| C2 | C1 | H3 | 119.9° | 120.0° |
| C1 | C2 | H8 | 120.9° | 120.0° |
| C2 | C3 | O | 117.2° | 120.1° |
| C3 | C2 | H8 | 121.0° | 120.0° |
| C3 | O | C6 | 113.7° | 117.0° |
| O | C6 | C7 | 103.7° | 109.5° |
| O | C6 | H5 | 110.9° | 109.5° |
| O | C6 | H6 | 110.9° | 109.4° |
| C6 | C7 | N1 | 120.3° | 120.0° |
| C6 | C7 | N | 116.9° | 120.0° |
| C7 | C6 | H5 | 110.9° | 109.4° |
| C7 | C6 | H6 | 110.9° | 109.4° |
| N1 | C7 | N | 122.8° | 120.0° |
| C7 | N1 | H1 | 112.0° | 120.0° |
| C7 | N | O1 | 116.7° | 120.0° |
| C7 | N | H9 | 121.6° | 120.0° |
| N | O1 | H2 | 109.5° | 114.0° |
| O1 | N | H9 | 121.7° | 120.0° |
| H5 | C6 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C5 | C4 | H4 | 180.0° | 180.0° |
| C5 | C | C1 | H10 | 180.0° | 180.0° |
| C | C5 | C4 | C3 | 0.1° | 0.2° |
| C5 | C | C1 | C2 | 0.0° | 0.0° |
| C5 | C | C1 | H3 | 180.0° | 179.7° |
| C | C5 | C4 | H7 | 179.9° | 180.0° |
| C4 | C5 | C | C1 | 0.1° | 0.0° |
| C5 | C4 | C3 | H7 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 0.0° | 0.5° |
| C5 | C4 | C3 | O | 179.6° | 180.0° |
| C4 | C5 | C | H10 | 179.9° | 180.0° |
| C | C1 | C2 | H3 | 180.0° | 179.7° |
| C | C1 | C2 | C3 | 0.1° | 0.2° |
| C1 | C | C5 | H4 | 179.9° | 180.0° |
| C | C1 | C2 | H8 | 179.9° | 179.7° |
| C4 | C3 | C2 | C1 | 0.1° | 0.5° |
| C4 | C3 | C2 | O | 179.6° | 179.5° |
| C4 | C3 | O | C6 | 26.1° | 180.0° |
| C3 | C4 | C5 | H4 | 179.9° | 179.8° |
| C4 | C3 | C2 | H8 | 180.0° | 179.5° |
| C1 | C2 | C3 | H8 | 180.0° | 180.0° |
| C1 | C2 | C3 | O | 179.5° | 180.0° |
| C2 | C1 | C | H10 | 180.0° | 180.0° |
| C2 | C3 | O | C6 | 154.4° | 0.5° |
| C3 | C2 | C1 | H3 | 179.9° | 180.0° |
| C2 | C3 | C4 | H7 | 180.0° | 179.7° |
| C3 | O | C6 | C7 | 177.6° | 180.0° |
| C3 | O | C6 | H5 | 63.4° | 60.0° |
| C3 | O | C6 | H6 | 58.5° | 60.1° |
| O | C3 | C4 | H7 | 0.5° | 0.2° |
| O | C3 | C2 | H8 | 0.5° | 0.0° |
| O | C6 | C7 | H5 | 119.1° | 120.0° |
| O | C6 | C7 | H6 | 119.1° | 119.9° |
| O | C6 | C7 | N1 | 47.2° | 0.0° |
| O | C6 | C7 | N | 132.9° | 180.0° |
| O | C6 | H5 | H6 | 122.6° | 120.0° |
| C6 | C7 | N1 | N | 179.9° | 180.0° |
| C6 | C7 | N | O1 | 156.7° | 180.0° |
| C6 | C7 | N1 | H1 | 180.0° | 180.0° |
| C7 | C6 | H5 | H6 | 122.7° | 120.0° |
| C6 | C7 | N | H9 | 23.3° | 0.0° |
| N1 | C7 | N | O1 | 23.3° | 0.0° |
| N1 | C7 | C6 | H5 | 71.9° | 120.0° |
| N1 | C7 | C6 | H6 | 166.3° | 119.9° |
| N1 | C7 | N | H9 | 156.7° | 179.9° |
| C7 | N | O1 | H9 | 180.0° | 179.9° |
| N | C7 | N1 | H1 | 0.0° | 0.0° |
| C7 | N | O1 | H2 | 180.0° | 180.0° |
| N | C7 | C6 | H5 | 108.0° | 60.0° |
| N | C7 | C6 | H6 | 13.8° | 60.1° |
| H2 | O1 | N | H9 | 0.0° | 0.1° |
| H3 | C1 | C2 | H8 | 0.0° | 0.0° |
| H3 | C1 | C | H10 | 0.0° | 0.3° |
| H4 | C5 | C4 | H7 | 0.0° | 0.0° |
| H4 | C5 | C | H10 | 0.1° | 0.0° |
