Q8H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| C12 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| N1 | C10 | doub | 1.32Å | 1.36Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| SE | C4 | sing | 1.96Å | 1.69Å | |
| O | C6 | doub | 1.22Å | 1.23Å | |
| C7 | N | sing | 1.47Å | 1.48Å | |
| C4 | C3 | doub | 1.38Å | 1.44Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.52Å | Aromatic |
| C6 | N | sing | 1.35Å | 1.32Å | |
| C6 | C5 | sing | 1.48Å | 1.48Å | |
| C3 | C2 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | C | doub | 1.40Å | 1.42Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.08Å | 1.08Å | |
| C | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| SE | H12 | sing | 1.56Å | 1.46Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | N1 | 120.2° | 120.8° |
| C11 | C12 | C9 | 118.2° | 119.1° |
| C11 | C12 | H8 | 120.9° | 120.5° |
| C12 | C11 | H9 | 119.9° | 119.6° |
| C11 | N1 | C10 | 123.1° | 121.7° |
| N1 | C11 | H9 | 119.9° | 119.6° |
| C12 | C9 | C8 | 120.3° | 118.4° |
| C9 | C12 | H8 | 120.9° | 120.4° |
| C12 | C9 | H11 | 119.8° | 120.8° |
| N1 | C10 | C8 | 118.8° | 120.7° |
| N1 | C10 | H10 | 120.6° | 119.6° |
| C9 | C8 | C10 | 119.3° | 119.2° |
| C9 | C8 | C7 | 119.8° | 120.4° |
| C8 | C9 | H11 | 119.9° | 120.8° |
| C10 | C8 | C7 | 120.9° | 120.4° |
| C8 | C10 | H10 | 120.6° | 119.6° |
| C8 | C7 | N | 110.5° | 109.5° |
| C8 | C7 | H6 | 109.2° | 109.5° |
| C8 | C7 | H7 | 109.2° | 109.5° |
| SE | C4 | C3 | 127.8° | 120.1° |
| SE | C4 | C5 | 121.5° | 120.1° |
| C4 | SE | H12 | 109.5° | 101.0° |
| O | C6 | N | 122.8° | 120.0° |
| O | C6 | C5 | 116.2° | 120.0° |
| C7 | N | C6 | 116.4° | 120.0° |
| C7 | N | H5 | 121.8° | 120.0° |
| N | C7 | H6 | 109.2° | 109.5° |
| N | C7 | H7 | 109.2° | 109.4° |
| C3 | C4 | C5 | 110.7° | 119.8° |
| C4 | C3 | C2 | 125.1° | 120.2° |
| C4 | C3 | H2 | 117.5° | 119.9° |
| C4 | C5 | C6 | 116.6° | 120.2° |
| C4 | C5 | C | 123.0° | 119.7° |
| N | C6 | C5 | 120.9° | 120.0° |
| C6 | N | H5 | 121.8° | 120.0° |
| C6 | C5 | C | 120.5° | 120.1° |
| C3 | C2 | C1 | 121.5° | 120.2° |
| C3 | C2 | H1 | 119.3° | 119.9° |
| C2 | C3 | H2 | 117.5° | 119.9° |
| C5 | C | C1 | 121.0° | 119.8° |
| C5 | C | H4 | 119.5° | 120.1° |
| C2 | C1 | C | 118.6° | 120.2° |
| C1 | C2 | H1 | 119.2° | 119.9° |
| C2 | C1 | H3 | 120.7° | 119.9° |
| C | C1 | H3 | 120.7° | 119.9° |
| C1 | C | H4 | 119.5° | 120.1° |
| H6 | C7 | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | N1 | H9 | 180.0° | 180.0° |
| C11 | C12 | C9 | H8 | 180.0° | 179.9° |
| C12 | C11 | N1 | C10 | 0.3° | 0.0° |
| C11 | C12 | C9 | C8 | 1.5° | 0.0° |
| C11 | C12 | C9 | H11 | 178.5° | 180.0° |
| N1 | C11 | C12 | C9 | 0.6° | 0.0° |
| C11 | N1 | C10 | C8 | 0.2° | 0.0° |
| N1 | C11 | C12 | H8 | 179.4° | 180.0° |
| C11 | N1 | C10 | H10 | 179.8° | 179.9° |
| C12 | C9 | C8 | H11 | 180.0° | 180.0° |
| C12 | C9 | C8 | C10 | 1.6° | 0.0° |
| C12 | C9 | C8 | C7 | 179.8° | 179.9° |
| C9 | C12 | C11 | H9 | 179.4° | 179.9° |
| N1 | C10 | C8 | C9 | 0.7° | 0.0° |
| N1 | C10 | C8 | H10 | 180.0° | 179.9° |
| N1 | C10 | C8 | C7 | 179.3° | 180.0° |
| C10 | N1 | C11 | H9 | 179.7° | 180.0° |
| C9 | C8 | C10 | C7 | 178.6° | 180.0° |
| C9 | C8 | C7 | N | 43.4° | 90.0° |
| C9 | C8 | C7 | H6 | 163.6° | 149.9° |
| C9 | C8 | C7 | H7 | 76.7° | 30.0° |
| C8 | C9 | C12 | H8 | 178.5° | 180.0° |
| C9 | C8 | C10 | H10 | 179.3° | 179.9° |
| C10 | C8 | C7 | N | 135.2° | 90.0° |
| C10 | C8 | C7 | H6 | 15.0° | 30.0° |
| C10 | C8 | C7 | H7 | 104.7° | 150.0° |
| C10 | C8 | C9 | H11 | 178.4° | 180.0° |
| C8 | C7 | N | H6 | 120.2° | 120.0° |
| C8 | C7 | N | H7 | 120.1° | 120.0° |
| C8 | C7 | N | C6 | 97.8° | 180.0° |
| C8 | C7 | N | H5 | 82.2° | 0.0° |
| C8 | C7 | H6 | H7 | 119.5° | 120.0° |
| C7 | C8 | C10 | H10 | 0.7° | 0.0° |
| C7 | C8 | C9 | H11 | 0.2° | 0.0° |
| SE | C4 | C3 | C5 | 177.6° | 179.6° |
| SE | C4 | C5 | C6 | 2.6° | 0.5° |
| SE | C4 | C3 | C2 | 177.4° | 180.0° |
| SE | C4 | C5 | C | 177.4° | 179.7° |
| SE | C4 | C3 | H2 | 2.6° | 0.1° |
| O | C6 | N | C7 | 8.4° | 0.0° |
| O | C6 | C5 | C4 | 27.1° | 0.0° |
| O | C6 | N | C5 | 177.9° | 179.9° |
| O | C6 | C5 | C | 153.0° | 179.2° |
| O | C6 | N | H5 | 171.6° | 180.0° |
| C7 | N | C6 | H5 | 180.0° | 180.0° |
| C7 | N | C6 | C5 | 173.8° | 180.0° |
| N | C7 | H6 | H7 | 119.5° | 120.0° |
| C3 | C4 | C5 | C6 | 179.6° | 179.9° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | C | 0.4° | 0.7° |
| C4 | C3 | C2 | C1 | 2.3° | 0.0° |
| C4 | C3 | C2 | H1 | 177.7° | 179.8° |
| C3 | C4 | SE | H12 | 180.0° | 90.0° |
| C4 | C5 | C6 | N | 150.9° | 180.0° |
| C4 | C5 | C6 | C | 180.0° | 179.2° |
| C5 | C4 | C3 | C2 | 0.2° | 0.4° |
| C4 | C5 | C | C1 | 2.6° | 0.5° |
| C5 | C4 | C3 | H2 | 179.7° | 179.5° |
| C4 | C5 | C | H4 | 177.4° | 179.9° |
| C5 | C4 | SE | H12 | 2.6° | 90.5° |
| N | C6 | C5 | C | 29.0° | 0.8° |
| C6 | N | C7 | H6 | 142.0° | 60.0° |
| C6 | N | C7 | H7 | 22.3° | 60.0° |
| C6 | C5 | C | C1 | 177.4° | 179.7° |
| C6 | C5 | C | H4 | 2.6° | 0.8° |
| C5 | C6 | N | H5 | 6.2° | 0.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.8° |
| C3 | C2 | C1 | C | 4.4° | 0.2° |
| C3 | C2 | C1 | H3 | 175.6° | 179.7° |
| C5 | C | C1 | C2 | 4.5° | 0.0° |
| C5 | C | C1 | H4 | 180.0° | 179.4° |
| C5 | C | C1 | H3 | 175.5° | 180.0° |
| C2 | C1 | C | H3 | 180.0° | 179.9° |
| C1 | C2 | C3 | H2 | 177.7° | 180.0° |
| C2 | C1 | C | H4 | 175.5° | 179.5° |
| C | C1 | C2 | H1 | 175.6° | 180.0° |
| H1 | C2 | C3 | H2 | 2.3° | 0.2° |
| H1 | C2 | C1 | H3 | 4.3° | 0.1° |
| H3 | C1 | C | H4 | 4.5° | 0.6° |
| H5 | N | C7 | H6 | 38.0° | 120.0° |
| H5 | N | C7 | H7 | 157.7° | 120.0° |
| H8 | C12 | C11 | H9 | 0.6° | 0.0° |
| H8 | C12 | C9 | H11 | 1.5° | 0.1° |
