VW1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C3 | sing | 1.36Å | 1.38Å | |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.43Å | 1.44Å | |
| C7 | N1 | trip | 1.14Å | 1.15Å | |
| C6 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | O2 | doub | 1.21Å | 1.24Å | |
| C10 | N2 | sing | 1.35Å | 1.32Å | |
| C3 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | O1 | 107.8° | 109.4° |
| C1 | C2 | C10 | 110.6° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C1 | C2 | H4 | 109.0° | 109.5° |
| C2 | O1 | C3 | 121.2° | 117.0° |
| O1 | C2 | C10 | 110.3° | 109.5° |
| O1 | C2 | H4 | 110.2° | 109.5° |
| O1 | C3 | C4 | 125.5° | 119.9° |
| O1 | C3 | C9 | 114.4° | 119.9° |
| C3 | C4 | C5 | 119.8° | 120.1° |
| C4 | C3 | C9 | 120.1° | 120.2° |
| C3 | C4 | H5 | 120.1° | 120.0° |
| C4 | C5 | C6 | 120.2° | 119.9° |
| C5 | C4 | H5 | 120.1° | 119.9° |
| C4 | C5 | H6 | 119.9° | 120.1° |
| C5 | C6 | C7 | 120.0° | 120.1° |
| C5 | C6 | C8 | 119.7° | 119.8° |
| C6 | C5 | H6 | 119.9° | 120.0° |
| C6 | C7 | N1 | 177.8° | 180.0° |
| C7 | C6 | C8 | 120.3° | 120.1° |
| C6 | C8 | C9 | 120.1° | 119.9° |
| C6 | C8 | H7 | 120.0° | 120.0° |
| C8 | C9 | C3 | 120.0° | 120.1° |
| C9 | C8 | H7 | 120.0° | 120.0° |
| C8 | C9 | H8 | 120.0° | 120.0° |
| C2 | C10 | O2 | 119.7° | 120.0° |
| C2 | C10 | N2 | 116.6° | 120.0° |
| C10 | C2 | H4 | 108.9° | 109.5° |
| O2 | C10 | N2 | 123.7° | 120.0° |
| C10 | N2 | H9 | 120.0° | 120.0° |
| C10 | N2 | H10 | 120.0° | 120.0° |
| C3 | C9 | H8 | 120.0° | 120.0° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H9 | N2 | H10 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | O1 | C10 | 120.8° | 120.0° |
| C1 | C2 | O1 | H4 | 118.9° | 120.0° |
| C1 | C2 | O1 | C3 | 158.7° | 84.7° |
| C1 | C2 | C10 | H4 | 119.8° | 120.0° |
| C1 | C2 | C10 | O2 | 77.4° | 115.0° |
| C1 | C2 | C10 | N2 | 102.1° | 65.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.1° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C2 | O1 | C3 | C4 | 34.8° | 174.5° |
| O1 | C2 | C10 | H4 | 121.1° | 120.0° |
| O1 | C2 | C10 | O2 | 163.5° | 4.9° |
| O1 | C2 | C10 | N2 | 17.0° | 175.0° |
| C2 | O1 | C3 | C9 | 148.3° | 5.1° |
| O1 | C2 | C1 | H1 | 180.0° | 60.0° |
| O1 | C2 | C1 | H2 | 60.0° | 60.1° |
| O1 | C2 | C1 | H3 | 60.0° | 180.0° |
| O1 | C3 | C4 | C9 | 176.7° | 179.6° |
| O1 | C3 | C4 | C5 | 178.7° | 180.0° |
| O1 | C3 | C9 | C8 | 178.6° | 180.0° |
| C3 | O1 | C2 | C10 | 80.5° | 155.3° |
| O1 | C3 | C4 | H5 | 1.4° | 0.2° |
| C3 | O1 | C2 | H4 | 39.9° | 35.3° |
| O1 | C3 | C9 | H8 | 1.3° | 0.2° |
| C3 | C4 | C5 | H5 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 1.7° | 0.2° |
| C4 | C3 | C9 | C8 | 1.6° | 0.4° |
| C3 | C4 | C5 | H6 | 178.3° | 179.8° |
| C4 | C3 | C9 | H8 | 178.4° | 179.8° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 178.8° | 179.9° |
| C4 | C5 | C6 | C8 | 1.0° | 0.0° |
| C5 | C4 | C3 | C9 | 1.9° | 0.5° |
| C5 | C6 | C7 | C8 | 179.9° | 180.0° |
| C5 | C6 | C7 | N1 | 19.7° | 56.5° |
| C5 | C6 | C8 | C9 | 0.6° | 0.0° |
| C6 | C5 | C4 | H5 | 178.4° | 180.0° |
| C5 | C6 | C8 | H7 | 179.3° | 180.0° |
| C7 | C6 | C8 | C9 | 179.2° | 179.9° |
| C7 | C6 | C5 | H6 | 1.2° | 0.0° |
| C7 | C6 | C8 | H7 | 0.8° | 0.0° |
| N1 | C7 | C6 | C8 | 160.4° | 123.5° |
| C6 | C8 | C9 | H7 | 180.0° | 179.9° |
| C6 | C8 | C9 | C3 | 0.9° | 0.2° |
| C8 | C6 | C5 | H6 | 179.0° | 180.0° |
| C6 | C8 | C9 | H8 | 179.1° | 180.0° |
| C8 | C9 | C3 | H8 | 180.0° | 179.8° |
| C2 | C10 | O2 | N2 | 179.4° | 180.0° |
| C10 | C2 | C1 | H1 | 59.3° | 180.0° |
| C10 | C2 | C1 | H2 | 179.3° | 59.9° |
| C10 | C2 | C1 | H3 | 60.7° | 60.0° |
| C2 | C10 | N2 | H9 | 179.4° | 180.0° |
| C2 | C10 | N2 | H10 | 0.6° | 0.1° |
| O2 | C10 | C2 | H4 | 42.5° | 125.0° |
| O2 | C10 | N2 | H9 | 0.0° | 0.1° |
| O2 | C10 | N2 | H10 | 180.0° | 180.0° |
| N2 | C10 | C2 | H4 | 138.1° | 55.0° |
| C10 | N2 | H9 | H10 | 180.0° | 179.9° |
| C9 | C3 | C4 | H5 | 178.1° | 179.8° |
| C3 | C9 | C8 | H7 | 179.1° | 179.7° |
| H5 | C4 | C5 | H6 | 1.7° | 0.0° |
| H7 | C8 | C9 | H8 | 0.9° | 0.0° |
| H1 | C1 | H2 | H3 | 119.9° | 120.0° |
| H1 | C1 | C2 | H4 | 60.4° | 59.9° |
| H2 | C1 | C2 | H4 | 59.6° | 180.0° |
| H3 | C1 | C2 | H4 | 179.6° | 60.0° |






