Q8O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C3 | doub | 1.32Å | 1.34Å | Aromatic |
| N | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.42Å | |
| C1 | C | sing | 1.51Å | 1.51Å | |
| O | C6 | doub | 1.21Å | 1.22Å | |
| N1 | C6 | sing | 1.35Å | 1.35Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C14 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | N3 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C11 | doub | 1.41Å | 1.39Å | Aromatic |
| N3 | C12 | sing | 1.36Å | 1.32Å | Aromatic |
| C9 | C10 | doub | 1.37Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | N2 | sing | 1.36Å | 1.37Å | Aromatic |
| C12 | N2 | doub | 1.30Å | 1.35Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N | C4 | 117.4° | 121.8° |
| N | C3 | C2 | 123.5° | 120.9° |
| N | C3 | H7 | 118.3° | 119.6° |
| N | C4 | C5 | 123.6° | 120.6° |
| N | C4 | H3 | 118.2° | 119.7° |
| C3 | C2 | C1 | 119.7° | 119.2° |
| C2 | C3 | H7 | 118.3° | 119.5° |
| C3 | C2 | H8 | 120.2° | 120.4° |
| C4 | C5 | C1 | 118.3° | 119.0° |
| C4 | C5 | N1 | 122.1° | 120.5° |
| C5 | C4 | H3 | 118.2° | 119.7° |
| C2 | C1 | C5 | 117.6° | 118.4° |
| C2 | C1 | C | 120.6° | 120.8° |
| C1 | C2 | H8 | 120.2° | 120.4° |
| C1 | C5 | N1 | 119.6° | 120.5° |
| C5 | C1 | C | 121.8° | 120.8° |
| C5 | N1 | C6 | 123.6° | 120.0° |
| C5 | N1 | H1 | 118.2° | 120.0° |
| C1 | C | H9 | 109.5° | 109.4° |
| C1 | C | H10 | 109.5° | 109.5° |
| C1 | C | H11 | 109.5° | 109.5° |
| O | C6 | N1 | 123.0° | 119.9° |
| O | C6 | C7 | 121.1° | 120.0° |
| N1 | C6 | C7 | 115.9° | 120.0° |
| C6 | N1 | H1 | 118.2° | 120.0° |
| C6 | C7 | C8 | 117.1° | 109.5° |
| C6 | C7 | H4 | 107.5° | 109.5° |
| C6 | C7 | H5 | 107.5° | 109.4° |
| C7 | C8 | C14 | 119.8° | 119.8° |
| C7 | C8 | C9 | 120.5° | 119.8° |
| C8 | C7 | H4 | 107.5° | 109.5° |
| C8 | C7 | H5 | 107.5° | 109.5° |
| C8 | C14 | C13 | 119.7° | 119.7° |
| C14 | C8 | C9 | 119.3° | 120.5° |
| C8 | C14 | H12 | 120.2° | 120.2° |
| C14 | C13 | N3 | 131.5° | 134.1° |
| C14 | C13 | C11 | 119.5° | 119.8° |
| C13 | C14 | H12 | 120.1° | 120.1° |
| C8 | C9 | C10 | 121.8° | 120.7° |
| C8 | C9 | H15 | 119.1° | 119.7° |
| N3 | C13 | C11 | 109.0° | 106.1° |
| C13 | N3 | C12 | 104.5° | 107.3° |
| C13 | N3 | H2 | 127.8° | 126.4° |
| C13 | C11 | C10 | 121.7° | 119.5° |
| C13 | C11 | N2 | 106.4° | 106.9° |
| N3 | C12 | N2 | 113.7° | 110.1° |
| C12 | N3 | H2 | 127.8° | 126.4° |
| N3 | C12 | H13 | 123.1° | 124.9° |
| C9 | C10 | C11 | 117.8° | 119.9° |
| C9 | C10 | H6 | 121.1° | 120.1° |
| C10 | C9 | H15 | 119.1° | 119.6° |
| C10 | C11 | N2 | 131.8° | 133.6° |
| C11 | C10 | H6 | 121.1° | 120.1° |
| C11 | N2 | C12 | 106.4° | 109.7° |
| N2 | C12 | H13 | 123.2° | 125.0° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H9 | C | H10 | 109.5° | 109.5° |
| H9 | C | H11 | 109.5° | 109.5° |
| H10 | C | H11 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C3 | C2 | H7 | 180.0° | 180.0° |
| C3 | N | C4 | C5 | 0.9° | 0.1° |
| N | C3 | C2 | C1 | 0.8° | 0.3° |
| C3 | N | C4 | H3 | 179.1° | 179.7° |
| N | C3 | C2 | H8 | 179.2° | 180.0° |
| C4 | N | C3 | C2 | 1.4° | 0.0° |
| N | C4 | C5 | H3 | 180.0° | 179.6° |
| N | C4 | C5 | C1 | 0.1° | 0.3° |
| N | C4 | C5 | N1 | 178.1° | 179.8° |
| C4 | N | C3 | H7 | 178.6° | 180.0° |
| C3 | C2 | C1 | H8 | 180.0° | 179.7° |
| C3 | C2 | C1 | C5 | 0.3° | 0.6° |
| C3 | C2 | C1 | C | 178.0° | 180.0° |
| C4 | C5 | C1 | C2 | 0.7° | 0.6° |
| C4 | C5 | C1 | N1 | 178.0° | 179.9° |
| C4 | C5 | C1 | C | 177.6° | 179.9° |
| C4 | C5 | N1 | C6 | 66.8° | 24.7° |
| C4 | C5 | N1 | H1 | 113.2° | 155.0° |
| C2 | C1 | C5 | C | 178.3° | 179.5° |
| C2 | C1 | C5 | N1 | 178.7° | 179.5° |
| C1 | C2 | C3 | H7 | 179.2° | 179.7° |
| C2 | C1 | C | H9 | 90.9° | 89.5° |
| C2 | C1 | C | H10 | 149.1° | 30.5° |
| C2 | C1 | C | H11 | 29.2° | 150.5° |
| C1 | C5 | N1 | C6 | 111.1° | 155.2° |
| C1 | C5 | N1 | H1 | 68.9° | 25.1° |
| C1 | C5 | C4 | H3 | 179.9° | 180.0° |
| C5 | C1 | C2 | H8 | 179.7° | 179.7° |
| C5 | C1 | C | H9 | 90.9° | 90.0° |
| C5 | C1 | C | H10 | 29.1° | 150.0° |
| C5 | C1 | C | H11 | 149.1° | 30.0° |
| N1 | C5 | C1 | C | 0.4° | 0.0° |
| C5 | N1 | C6 | O | 4.1° | 5.7° |
| C5 | N1 | C6 | H1 | 180.0° | 179.7° |
| C5 | N1 | C6 | C7 | 173.8° | 174.3° |
| N1 | C5 | C4 | H3 | 2.0° | 0.1° |
| C | C1 | C2 | H8 | 2.0° | 0.3° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| O | C6 | N1 | C7 | 177.9° | 180.0° |
| O | C6 | C7 | C8 | 158.9° | 0.0° |
| O | C6 | N1 | H1 | 175.9° | 174.6° |
| O | C6 | C7 | H4 | 80.1° | 120.0° |
| O | C6 | C7 | H5 | 37.8° | 120.0° |
| N1 | C6 | C7 | C8 | 23.2° | 180.0° |
| N1 | C6 | C7 | H4 | 97.9° | 60.0° |
| N1 | C6 | C7 | H5 | 144.3° | 60.0° |
| C6 | C7 | C8 | H4 | 121.1° | 120.0° |
| C6 | C7 | C8 | H5 | 121.1° | 120.0° |
| C6 | C7 | C8 | C14 | 115.2° | 89.9° |
| C6 | C7 | C8 | C9 | 71.6° | 90.0° |
| C7 | C6 | N1 | H1 | 6.2° | 5.4° |
| C6 | C7 | H4 | H5 | 116.5° | 120.0° |
| C7 | C8 | C14 | C9 | 173.3° | 179.9° |
| C7 | C8 | C14 | C13 | 170.9° | 180.0° |
| C7 | C8 | C9 | C10 | 170.2° | 180.0° |
| C8 | C7 | H4 | H5 | 116.6° | 120.0° |
| C7 | C8 | C14 | H12 | 9.1° | 0.1° |
| C7 | C8 | C9 | H15 | 9.8° | 0.1° |
| C8 | C14 | C13 | H12 | 180.0° | 179.9° |
| C8 | C14 | C13 | N3 | 177.9° | 180.0° |
| C8 | C14 | C13 | C11 | 0.1° | 0.0° |
| C14 | C8 | C9 | C10 | 3.0° | 0.1° |
| C14 | C8 | C7 | H4 | 5.9° | 150.1° |
| C14 | C8 | C7 | H5 | 123.7° | 30.1° |
| C14 | C8 | C9 | H15 | 177.0° | 180.0° |
| C13 | C14 | C8 | C9 | 2.4° | 0.1° |
| C14 | C13 | N3 | C11 | 178.1° | 180.0° |
| C14 | C13 | N3 | C12 | 177.6° | 180.0° |
| C14 | C13 | C11 | C10 | 1.7° | 0.0° |
| C14 | C13 | C11 | N2 | 177.8° | 179.7° |
| C14 | C13 | N3 | H2 | 2.4° | 0.2° |
| C8 | C9 | C10 | H15 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 1.3° | 0.1° |
| C9 | C8 | C7 | H4 | 167.3° | 30.0° |
| C9 | C8 | C7 | H5 | 49.5° | 150.0° |
| C8 | C9 | C10 | H6 | 178.8° | 180.0° |
| C9 | C8 | C14 | H12 | 177.6° | 180.0° |
| C13 | N3 | C12 | H2 | 180.0° | 179.8° |
| N3 | C13 | C11 | C10 | 179.9° | 180.0° |
| N3 | C13 | C11 | N2 | 0.6° | 0.3° |
| C13 | N3 | C12 | N2 | 0.2° | 0.2° |
| N3 | C13 | C14 | H12 | 2.1° | 0.0° |
| C13 | N3 | C12 | H13 | 179.9° | 179.7° |
| C11 | C13 | N3 | C12 | 0.5° | 0.0° |
| C13 | C11 | C10 | C9 | 1.2° | 0.1° |
| C13 | C11 | C10 | N2 | 179.3° | 179.7° |
| C13 | C11 | N2 | C12 | 0.5° | 0.4° |
| C11 | C13 | N3 | H2 | 179.5° | 179.8° |
| C13 | C11 | C10 | H6 | 178.8° | 180.0° |
| C11 | C13 | C14 | H12 | 179.9° | 180.0° |
| N3 | C12 | N2 | C11 | 0.2° | 0.4° |
| N3 | C12 | N2 | H13 | 180.0° | 179.9° |
| C9 | C10 | C11 | H6 | 180.0° | 179.9° |
| C9 | C10 | C11 | N2 | 178.2° | 179.6° |
| C10 | C11 | N2 | C12 | 179.9° | 179.8° |
| C11 | C10 | C9 | H15 | 178.8° | 180.0° |
| N2 | C11 | C10 | H6 | 1.8° | 0.3° |
| C11 | N2 | C12 | H13 | 179.8° | 179.5° |
| N2 | C12 | N3 | H2 | 179.8° | 180.0° |
| H2 | N3 | C12 | H13 | 0.2° | 0.1° |
| H6 | C10 | C9 | H15 | 1.2° | 0.1° |
| H7 | C3 | C2 | H8 | 0.8° | 0.0° |
| H9 | C | H10 | H11 | 120.0° | 120.0° |
