0W8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C7 | sing | 1.39Å | 1.38Å | |
| N1 | C8 | sing | 1.35Å | 1.37Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| O | C8 | doub | 1.22Å | 1.22Å | |
| C7 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | N | sing | 1.35Å | 1.42Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | N | sing | 1.39Å | 1.40Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| N | C1 | sing | 1.47Å | 1.47Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | N1 | C8 | 110.6° | 108.3° |
| N1 | C7 | C6 | 132.0° | 133.3° |
| N1 | C7 | C2 | 107.3° | 106.8° |
| C7 | N1 | H9 | 124.7° | 125.8° |
| N1 | C8 | O | 128.1° | 125.1° |
| N1 | C8 | N | 106.4° | 109.7° |
| C8 | N1 | H9 | 124.7° | 125.8° |
| C7 | C6 | C5 | 118.3° | 119.8° |
| C6 | C7 | C2 | 120.5° | 119.9° |
| C7 | C6 | H5 | 120.9° | 120.1° |
| C6 | C5 | C4 | 121.0° | 120.3° |
| C5 | C6 | H5 | 120.9° | 120.1° |
| C6 | C5 | H6 | 119.5° | 119.8° |
| O | C8 | N | 125.5° | 125.2° |
| C7 | C2 | N | 107.9° | 106.8° |
| C7 | C2 | C3 | 121.3° | 119.8° |
| C8 | N | C2 | 107.7° | 108.4° |
| C8 | N | C1 | 128.7° | 125.8° |
| C5 | C4 | C3 | 120.9° | 120.3° |
| C4 | C5 | H6 | 119.5° | 119.9° |
| C5 | C4 | H7 | 119.5° | 119.8° |
| N | C2 | C3 | 130.6° | 133.4° |
| C2 | N | C1 | 123.4° | 125.8° |
| C2 | C3 | C4 | 118.0° | 119.9° |
| C2 | C3 | H8 | 121.0° | 120.1° |
| N | C1 | C | 110.3° | 109.5° |
| N | C1 | H3 | 109.3° | 109.5° |
| N | C1 | H4 | 109.3° | 109.5° |
| C3 | C4 | H7 | 119.6° | 119.8° |
| C4 | C3 | H8 | 121.0° | 120.1° |
| C | C1 | H3 | 109.3° | 109.5° |
| C | C1 | H4 | 109.3° | 109.4° |
| C1 | C | H2 | 109.5° | 109.4° |
| C1 | C | H | 109.5° | 109.4° |
| C1 | C | H1 | 109.4° | 109.5° |
| H3 | C1 | H4 | 109.4° | 109.4° |
| H2 | C | H | 109.5° | 109.5° |
| H2 | C | H1 | 109.5° | 109.5° |
| H | C | H1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | N1 | C8 | H9 | 180.0° | 179.8° |
| N1 | C7 | C6 | C2 | 176.3° | 179.8° |
| N1 | C7 | C6 | C5 | 176.3° | 180.0° |
| C7 | N1 | C8 | O | 177.0° | 180.0° |
| C7 | N1 | C8 | N | 0.7° | 0.3° |
| N1 | C7 | C2 | N | 1.0° | 0.0° |
| N1 | C7 | C2 | C3 | 177.8° | 180.0° |
| N1 | C7 | C6 | H5 | 3.7° | 0.0° |
| C8 | N1 | C7 | C6 | 175.6° | 180.0° |
| N1 | C8 | O | N | 177.3° | 179.7° |
| C8 | N1 | C7 | C2 | 1.1° | 0.2° |
| N1 | C8 | N | C2 | 0.1° | 0.3° |
| N1 | C8 | N | C1 | 175.8° | 179.7° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.4° | 0.1° |
| C6 | C7 | C2 | N | 176.1° | 179.8° |
| C6 | C7 | C2 | C3 | 0.7° | 0.1° |
| C6 | C7 | N1 | H9 | 4.4° | 0.2° |
| C7 | C6 | C5 | H6 | 179.6° | 180.0° |
| C5 | C6 | C7 | C2 | 0.1° | 0.2° |
| C6 | C5 | C4 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.2° |
| C6 | C5 | C4 | H7 | 179.8° | 179.9° |
| O | C8 | N | C2 | 177.7° | 180.0° |
| O | C8 | N | C1 | 2.0° | 0.1° |
| O | C8 | N1 | H9 | 3.0° | 0.2° |
| C7 | C2 | N | C8 | 0.5° | 0.1° |
| C7 | C2 | N | C3 | 176.4° | 180.0° |
| C7 | C2 | N | C1 | 175.4° | 179.8° |
| C7 | C2 | C3 | C4 | 0.9° | 0.1° |
| C2 | C7 | N1 | H9 | 178.9° | 180.0° |
| C2 | C7 | C6 | H5 | 180.0° | 179.8° |
| C7 | C2 | C3 | H8 | 179.2° | 180.0° |
| C8 | N | C2 | C1 | 176.0° | 180.0° |
| C8 | N | C2 | C3 | 177.0° | 179.9° |
| C8 | N | C1 | C | 93.2° | 89.9° |
| C8 | N | C1 | H3 | 26.9° | 150.0° |
| C8 | N | C1 | H4 | 146.6° | 30.0° |
| N | C8 | N1 | H9 | 179.3° | 179.9° |
| C5 | C4 | C3 | C2 | 0.4° | 0.3° |
| C5 | C4 | C3 | H7 | 180.0° | 179.7° |
| C4 | C5 | C6 | H5 | 179.6° | 180.0° |
| C5 | C4 | C3 | H8 | 179.6° | 179.8° |
| N | C2 | C3 | C4 | 175.2° | 179.9° |
| C2 | N | C1 | C | 81.8° | 90.0° |
| C2 | N | C1 | H3 | 158.0° | 30.1° |
| C2 | N | C1 | H4 | 38.3° | 150.0° |
| N | C2 | C3 | H8 | 4.8° | 0.0° |
| C3 | C2 | N | C1 | 1.0° | 0.2° |
| C2 | C3 | C4 | H8 | 180.0° | 179.9° |
| C2 | C3 | C4 | H7 | 179.6° | 180.0° |
| N | C1 | C | H3 | 120.1° | 120.1° |
| N | C1 | C | H4 | 120.1° | 120.0° |
| N | C1 | H3 | H4 | 119.6° | 120.0° |
| N | C1 | C | H2 | 180.0° | 59.9° |
| N | C1 | C | H | 60.0° | 60.0° |
| N | C1 | C | H1 | 60.0° | 180.0° |
| C3 | C4 | C5 | H6 | 179.8° | 179.8° |
| C | C1 | H3 | H4 | 119.6° | 119.9° |
| C1 | C | H2 | H | 120.0° | 119.9° |
| C1 | C | H2 | H1 | 120.0° | 120.0° |
| C1 | C | H | H1 | 120.0° | 120.0° |
| H3 | C1 | C | H2 | 59.8° | 180.0° |
| H3 | C1 | C | H | 179.9° | 60.1° |
| H3 | C1 | C | H1 | 60.1° | 59.9° |
| H4 | C1 | C | H2 | 59.9° | 60.1° |
| H4 | C1 | C | H | 60.2° | 180.0° |
| H4 | C1 | C | H1 | 179.8° | 60.0° |
| H2 | C | H | H1 | 120.0° | 120.1° |
| H5 | C6 | C5 | H6 | 0.4° | 0.0° |
| H6 | C5 | C4 | H7 | 0.2° | 0.1° |
| H7 | C4 | C3 | H8 | 0.4° | 0.1° |
