86Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | N2 | sing | 1.28Å | 1.40Å | Aromatic |
| N1 | C13 | doub | 1.32Å | 1.35Å | Aromatic |
| N2 | C3 | doub | 1.33Å | 1.34Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.49Å | |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | N3 | sing | 1.39Å | 1.36Å | |
| C3 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C6 | sing | 1.50Å | 1.51Å | |
| C14 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C5 | sing | 1.50Å | 1.51Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| N3 | H9 | sing | 0.97Å | 1.00Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 119.9° | 120.1° |
| C9 | C10 | C12 | 120.5° | 119.8° |
| C10 | C9 | H6 | 120.1° | 120.0° |
| C9 | C10 | H7 | 119.8° | 120.1° |
| C9 | C8 | C7 | 119.8° | 120.3° |
| C9 | C8 | H5 | 120.1° | 119.8° |
| C8 | C9 | H6 | 120.1° | 119.9° |
| C10 | C12 | C13 | 120.3° | 121.0° |
| C10 | C12 | C11 | 119.4° | 120.1° |
| C12 | C10 | H7 | 119.8° | 120.1° |
| C8 | C7 | C11 | 120.1° | 120.1° |
| C8 | C7 | H4 | 120.0° | 119.9° |
| C7 | C8 | H5 | 120.1° | 119.8° |
| N2 | N1 | C13 | 121.1° | 121.8° |
| N1 | N2 | C3 | 120.4° | 122.4° |
| N1 | C13 | C12 | 120.1° | 121.2° |
| N1 | C13 | C14 | 119.3° | 119.9° |
| N2 | C3 | N3 | 119.7° | 120.0° |
| N2 | C3 | C4 | 119.9° | 119.9° |
| C13 | C12 | C11 | 120.3° | 118.9° |
| C12 | C13 | C14 | 120.6° | 118.9° |
| C12 | C11 | C7 | 120.4° | 119.6° |
| C12 | C11 | C6 | 122.1° | 120.3° |
| C13 | C14 | C4 | 119.8° | 118.4° |
| C13 | C14 | C5 | 122.6° | 120.3° |
| C7 | C11 | C6 | 117.5° | 120.2° |
| C11 | C7 | H4 | 119.9° | 120.0° |
| N3 | C3 | C4 | 120.4° | 120.1° |
| C3 | N3 | H8 | 109.5° | 120.0° |
| C3 | N3 | H9 | 109.5° | 120.0° |
| C3 | C4 | C14 | 119.6° | 117.6° |
| C3 | C4 | H1 | 120.2° | 121.2° |
| C11 | C6 | C5 | 117.8° | 110.9° |
| C11 | C6 | H3 | 107.4° | 109.2° |
| C11 | C6 | H11 | 107.3° | 109.2° |
| C4 | C14 | C5 | 117.6° | 121.3° |
| C14 | C4 | H1 | 120.2° | 121.2° |
| C14 | C5 | C6 | 116.6° | 110.6° |
| C14 | C5 | H2 | 107.7° | 109.3° |
| C14 | C5 | H10 | 107.7° | 109.2° |
| C6 | C5 | H2 | 107.7° | 109.2° |
| C5 | C6 | H3 | 107.3° | 109.1° |
| C6 | C5 | H10 | 107.7° | 109.2° |
| C5 | C6 | H11 | 107.4° | 109.2° |
| H2 | C5 | H10 | 109.5° | 109.3° |
| H3 | C6 | H11 | 109.5° | 109.2° |
| H8 | N3 | H9 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H6 | 180.0° | 180.0° |
| C9 | C10 | C12 | H7 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.3° | 0.5° |
| C9 | C10 | C12 | C13 | 179.6° | 179.4° |
| C9 | C10 | C12 | C11 | 0.2° | 1.4° |
| C10 | C9 | C8 | H5 | 179.7° | 179.5° |
| C8 | C9 | C10 | C12 | 0.3° | 0.3° |
| C9 | C8 | C7 | H5 | 180.0° | 180.0° |
| C9 | C8 | C7 | C11 | 0.2° | 0.2° |
| C9 | C8 | C7 | H4 | 179.8° | 179.8° |
| C8 | C9 | C10 | H7 | 179.6° | 179.8° |
| C10 | C12 | C13 | N1 | 0.7° | 16.5° |
| C10 | C12 | C13 | C11 | 179.8° | 179.2° |
| C10 | C12 | C13 | C14 | 180.0° | 163.8° |
| C10 | C12 | C11 | C7 | 0.0° | 1.7° |
| C10 | C12 | C11 | C6 | 179.9° | 178.1° |
| C12 | C10 | C9 | H6 | 179.6° | 179.7° |
| C8 | C7 | C11 | C12 | 0.0° | 0.9° |
| C8 | C7 | C11 | H4 | 180.0° | 180.0° |
| C8 | C7 | C11 | C6 | 179.9° | 178.9° |
| C7 | C8 | C9 | H6 | 179.6° | 179.5° |
| N2 | N1 | C13 | C12 | 179.5° | 179.0° |
| N2 | N1 | C13 | C14 | 1.1° | 0.7° |
| N1 | N2 | C3 | N3 | 179.8° | 179.5° |
| N1 | N2 | C3 | C4 | 0.1° | 1.1° |
| C13 | N1 | N2 | C3 | 0.7° | 0.3° |
| N1 | C13 | C12 | C14 | 179.3° | 179.7° |
| N1 | C13 | C12 | C11 | 179.5° | 162.7° |
| N1 | C13 | C14 | C4 | 0.8° | 0.8° |
| N1 | C13 | C14 | C5 | 179.2° | 178.4° |
| N2 | C3 | N3 | C4 | 179.7° | 179.4° |
| N2 | C3 | C4 | C14 | 0.4° | 0.9° |
| N2 | C3 | C4 | H1 | 179.6° | 179.5° |
| N2 | C3 | N3 | H8 | 0.0° | 0.0° |
| N2 | C3 | N3 | H9 | 120.0° | 180.0° |
| C13 | C12 | C11 | C7 | 179.8° | 179.1° |
| C13 | C12 | C11 | C6 | 0.3° | 1.1° |
| C12 | C13 | C14 | C4 | 179.8° | 178.9° |
| C12 | C13 | C14 | C5 | 0.1° | 1.9° |
| C13 | C12 | C10 | H7 | 0.4° | 0.6° |
| C11 | C12 | C13 | C14 | 0.1° | 16.9° |
| C12 | C11 | C7 | C6 | 179.9° | 179.8° |
| C12 | C11 | C6 | C5 | 0.1° | 35.2° |
| C12 | C11 | C6 | H3 | 121.3° | 155.5° |
| C12 | C11 | C7 | H4 | 180.0° | 179.1° |
| C11 | C12 | C10 | H7 | 179.8° | 178.7° |
| C12 | C11 | C6 | H11 | 121.1° | 85.2° |
| C13 | C14 | C4 | C3 | 0.0° | 0.0° |
| C13 | C14 | C4 | C5 | 180.0° | 179.2° |
| C13 | C14 | C5 | C6 | 0.2° | 35.9° |
| C13 | C14 | C4 | H1 | 180.0° | 179.6° |
| C13 | C14 | C5 | H2 | 120.8° | 84.4° |
| C13 | C14 | C5 | H10 | 121.3° | 156.1° |
| C7 | C11 | C6 | C5 | 179.9° | 145.0° |
| C7 | C11 | C6 | H3 | 58.8° | 24.7° |
| C11 | C7 | C8 | H5 | 179.8° | 179.8° |
| C7 | C11 | C6 | H11 | 58.9° | 94.6° |
| N3 | C3 | C4 | C14 | 179.9° | 179.7° |
| N3 | C3 | C4 | H1 | 0.1° | 0.1° |
| C3 | N3 | H8 | H9 | 120.0° | 180.0° |
| C3 | C4 | C14 | H1 | 180.0° | 179.6° |
| C3 | C4 | C14 | C5 | 180.0° | 179.2° |
| C4 | C3 | N3 | H8 | 179.7° | 179.4° |
| C4 | C3 | N3 | H9 | 60.3° | 0.6° |
| C11 | C6 | C5 | C14 | 0.1° | 50.4° |
| C11 | C6 | C5 | H3 | 121.2° | 120.3° |
| C11 | C6 | C5 | H11 | 121.2° | 120.4° |
| C11 | C6 | C5 | H2 | 120.9° | 69.9° |
| C11 | C6 | H3 | H11 | 116.2° | 119.3° |
| C6 | C11 | C7 | H4 | 0.1° | 1.1° |
| C11 | C6 | C5 | H10 | 121.1° | 170.6° |
| C4 | C14 | C5 | C6 | 179.7° | 145.0° |
| C4 | C14 | C5 | H2 | 59.2° | 94.7° |
| C4 | C14 | C5 | H10 | 58.7° | 24.8° |
| C14 | C5 | C6 | H2 | 121.0° | 120.3° |
| C14 | C5 | C6 | H10 | 121.0° | 120.2° |
| C5 | C14 | C4 | H1 | 0.0° | 1.2° |
| C14 | C5 | H2 | H10 | 116.7° | 119.4° |
| C14 | C5 | C6 | H3 | 121.1° | 170.7° |
| C14 | C5 | C6 | H11 | 121.3° | 70.0° |
| C6 | C5 | H2 | H10 | 116.8° | 119.4° |
| C5 | C6 | H3 | H11 | 116.3° | 119.3° |
| H2 | C5 | C6 | H3 | 117.9° | 50.4° |
| H2 | C5 | C6 | H11 | 0.3° | 169.7° |
| H3 | C6 | C5 | H10 | 0.0° | 69.1° |
| H4 | C7 | C8 | H5 | 0.2° | 0.3° |
| H5 | C8 | C9 | H6 | 0.4° | 0.5° |
| H6 | C9 | C10 | H7 | 0.4° | 0.2° |
| H10 | C5 | C6 | H11 | 117.7° | 50.2° |
