VZH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | O1 | sing | 1.43Å | 1.40Å | |
| O1 | C5 | sing | 1.36Å | 1.35Å | |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.49Å | |
| C1 | O | doub | 1.22Å | 1.19Å | |
| C1 | N | sing | 1.35Å | 1.38Å | |
| C | N | sing | 1.47Å | 1.44Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | O1 | C5 | 119.7° | 117.0° |
| O1 | C8 | H2 | 109.5° | 109.5° |
| O1 | C8 | H3 | 109.5° | 109.5° |
| O1 | C8 | H4 | 109.5° | 109.5° |
| O1 | C5 | C6 | 124.5° | 119.9° |
| O1 | C5 | C4 | 115.0° | 119.9° |
| C6 | C5 | C4 | 120.5° | 120.2° |
| C5 | C6 | C7 | 118.5° | 120.0° |
| C5 | C6 | H5 | 120.8° | 119.9° |
| C5 | C4 | C3 | 120.6° | 120.1° |
| C5 | C4 | H6 | 119.7° | 120.0° |
| C6 | C7 | C2 | 121.3° | 119.9° |
| C6 | C7 | H1 | 119.3° | 120.0° |
| C7 | C6 | H5 | 120.7° | 120.0° |
| C4 | C3 | C2 | 119.3° | 119.9° |
| C3 | C4 | H6 | 119.7° | 119.9° |
| C4 | C3 | H7 | 120.3° | 120.1° |
| C7 | C2 | C3 | 119.8° | 119.9° |
| C7 | C2 | C1 | 115.0° | 120.0° |
| C2 | C7 | H1 | 119.4° | 120.1° |
| C3 | C2 | C1 | 125.1° | 120.1° |
| C2 | C3 | H7 | 120.3° | 120.0° |
| C2 | C1 | O | 119.7° | 120.1° |
| C2 | C1 | N | 122.3° | 120.0° |
| O | C1 | N | 117.9° | 120.0° |
| C1 | N | C | 126.3° | 120.0° |
| C1 | N | H8 | 116.8° | 120.0° |
| C | N | H8 | 116.8° | 120.1° |
| N | C | H9 | 109.5° | 109.4° |
| N | C | H10 | 109.4° | 109.5° |
| N | C | H11 | 109.5° | 109.4° |
| H2 | C8 | H3 | 109.5° | 109.5° |
| H2 | C8 | H4 | 109.5° | 109.5° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H9 | C | H10 | 109.5° | 109.5° |
| H9 | C | H11 | 109.5° | 109.5° |
| H10 | C | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | O1 | C5 | C6 | 177.0° | 180.0° |
| C8 | O1 | C5 | C4 | 0.8° | 0.1° |
| O1 | C8 | H2 | H3 | 120.0° | 120.0° |
| O1 | C8 | H2 | H4 | 120.0° | 120.0° |
| O1 | C8 | H3 | H4 | 120.0° | 120.0° |
| O1 | C5 | C6 | C4 | 177.6° | 179.9° |
| O1 | C5 | C6 | C7 | 176.2° | 180.0° |
| O1 | C5 | C4 | C3 | 176.2° | 179.7° |
| C5 | O1 | C8 | H2 | 180.0° | 60.0° |
| C5 | O1 | C8 | H3 | 60.0° | 180.0° |
| C5 | O1 | C8 | H4 | 60.0° | 60.0° |
| O1 | C5 | C6 | H5 | 3.8° | 0.0° |
| O1 | C5 | C4 | H6 | 3.8° | 0.1° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 1.7° | 0.2° |
| C5 | C6 | C7 | C2 | 0.4° | 0.0° |
| C5 | C6 | C7 | H1 | 179.6° | 179.7° |
| C6 | C5 | C4 | H6 | 178.3° | 180.0° |
| C4 | C5 | C6 | C7 | 1.4° | 0.0° |
| C5 | C4 | C3 | H6 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 0.1° | 0.5° |
| C4 | C5 | C6 | H5 | 178.6° | 180.0° |
| C5 | C4 | C3 | H7 | 179.9° | 180.0° |
| C6 | C7 | C2 | H1 | 180.0° | 179.8° |
| C6 | C7 | C2 | C3 | 2.0° | 0.2° |
| C6 | C7 | C2 | C1 | 174.4° | 179.7° |
| C4 | C3 | C2 | C7 | 1.7° | 0.5° |
| C4 | C3 | C2 | H7 | 180.0° | 179.4° |
| C4 | C3 | C2 | C1 | 174.3° | 179.4° |
| C7 | C2 | C3 | C1 | 176.1° | 180.0° |
| C7 | C2 | C1 | O | 0.7° | 0.1° |
| C7 | C2 | C1 | N | 175.3° | 180.0° |
| C2 | C7 | C6 | H5 | 179.6° | 180.0° |
| C7 | C2 | C3 | H7 | 178.2° | 180.0° |
| C3 | C2 | C1 | O | 176.9° | 180.0° |
| C3 | C2 | C1 | N | 0.9° | 0.0° |
| C3 | C2 | C7 | H1 | 178.0° | 180.0° |
| C2 | C3 | C4 | H6 | 179.9° | 179.8° |
| C2 | C1 | O | N | 176.1° | 180.0° |
| C2 | C1 | N | C | 3.6° | 180.0° |
| C1 | C2 | C7 | H1 | 5.6° | 0.0° |
| C1 | C2 | C3 | H7 | 5.7° | 0.0° |
| C2 | C1 | N | H8 | 176.4° | 0.0° |
| O | C1 | N | C | 172.4° | 0.0° |
| O | C1 | N | H8 | 7.6° | 180.0° |
| C1 | N | C | H8 | 180.0° | 179.9° |
| C1 | N | C | H9 | 180.0° | 60.1° |
| C1 | N | C | H10 | 60.0° | 60.0° |
| C1 | N | C | H11 | 60.0° | 180.0° |
| N | C | H9 | H10 | 120.0° | 120.0° |
| N | C | H9 | H11 | 120.0° | 119.9° |
| N | C | H10 | H11 | 120.0° | 120.0° |
| H1 | C7 | C6 | H5 | 0.4° | 0.3° |
| H2 | C8 | H3 | H4 | 120.0° | 120.0° |
| H6 | C4 | C3 | H7 | 0.1° | 0.3° |
| H8 | N | C | H9 | 0.0° | 120.0° |
| H8 | N | C | H10 | 120.0° | 120.0° |
| H8 | N | C | H11 | 120.0° | 0.0° |
| H9 | C | H10 | H11 | 120.0° | 120.0° |
