GQP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | doub | 1.37Å | 1.37Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.40Å | Aromatic |
| C5 | N1 | sing | 1.36Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N2 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.36Å | Aromatic |
| N1 | C7 | doub | 1.30Å | 1.32Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| F1 | C12 | sing | 1.35Å | 1.36Å | |
| C12 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| N2 | C7 | sing | 1.36Å | 1.37Å | Aromatic |
| N2 | C8 | sing | 1.46Å | 1.47Å | |
| C9 | C8 | sing | 1.51Å | 1.52Å | |
| C9 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 121.2° | 120.6° |
| C1 | C6 | C5 | 117.9° | 119.9° |
| C1 | C6 | H1 | 121.0° | 120.0° |
| C6 | C1 | H7 | 119.4° | 119.7° |
| C1 | C2 | C3 | 122.0° | 120.5° |
| C2 | C1 | H7 | 119.4° | 119.7° |
| C1 | C2 | H10 | 119.0° | 119.8° |
| C6 | C5 | C4 | 120.3° | 119.5° |
| C6 | C5 | N1 | 129.8° | 133.6° |
| C5 | C6 | H1 | 121.0° | 120.1° |
| C2 | C3 | C4 | 116.9° | 119.7° |
| C3 | C2 | H10 | 119.0° | 119.8° |
| C2 | C3 | H11 | 121.6° | 120.2° |
| C4 | C5 | N1 | 109.9° | 106.9° |
| C5 | C4 | C3 | 121.7° | 119.8° |
| C5 | C4 | N2 | 106.0° | 106.0° |
| C5 | N1 | C7 | 104.4° | 109.7° |
| C3 | C4 | N2 | 132.3° | 134.1° |
| C4 | C3 | H11 | 121.5° | 120.2° |
| C4 | N2 | C7 | 105.3° | 107.3° |
| C4 | N2 | C8 | 128.4° | 126.4° |
| C10 | C11 | C12 | 117.7° | 119.9° |
| C11 | C10 | C9 | 121.9° | 120.0° |
| C11 | C10 | H5 | 119.1° | 120.0° |
| C10 | C11 | H8 | 121.1° | 120.0° |
| C11 | C12 | F1 | 117.7° | 120.0° |
| C11 | C12 | C13 | 123.2° | 120.0° |
| C12 | C11 | H8 | 121.2° | 120.0° |
| N1 | C7 | N2 | 114.4° | 110.1° |
| N1 | C7 | H2 | 122.8° | 125.0° |
| C10 | C9 | C8 | 121.2° | 119.9° |
| C10 | C9 | C14 | 117.8° | 120.1° |
| C9 | C10 | H5 | 119.1° | 120.0° |
| F1 | C12 | C13 | 119.2° | 120.0° |
| C12 | C13 | C14 | 117.5° | 120.0° |
| C12 | C13 | H6 | 121.2° | 120.0° |
| C7 | N2 | C8 | 126.3° | 126.3° |
| N2 | C7 | H2 | 122.8° | 124.9° |
| N2 | C8 | C9 | 114.5° | 109.5° |
| N2 | C8 | H3 | 108.2° | 109.5° |
| N2 | C8 | H4 | 108.2° | 109.5° |
| C8 | C9 | C14 | 121.0° | 120.0° |
| C9 | C8 | H3 | 108.2° | 109.4° |
| C9 | C8 | H4 | 108.2° | 109.5° |
| C9 | C14 | C13 | 121.8° | 120.0° |
| C9 | C14 | H9 | 119.1° | 120.0° |
| C14 | C13 | H6 | 121.2° | 120.0° |
| C13 | C14 | H9 | 119.1° | 120.0° |
| H3 | C8 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | H7 | 180.0° | 179.9° |
| C1 | C6 | C5 | H1 | 180.0° | 179.9° |
| C6 | C1 | C2 | C3 | 1.1° | 0.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | N1 | 180.0° | 180.0° |
| C6 | C1 | C2 | H10 | 178.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.5° | 0.0° |
| C1 | C2 | C3 | H10 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 1.0° | 0.0° |
| C2 | C1 | C6 | H1 | 179.5° | 179.9° |
| C1 | C2 | C3 | H11 | 179.0° | 180.0° |
| C6 | C5 | C4 | N1 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C6 | C5 | C4 | N2 | 179.2° | 180.0° |
| C6 | C5 | N1 | C7 | 179.5° | 180.0° |
| C5 | C6 | C1 | H7 | 179.5° | 179.9° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C2 | C3 | C4 | H11 | 180.0° | 180.0° |
| C2 | C3 | C4 | N2 | 179.6° | 180.0° |
| C3 | C2 | C1 | H7 | 178.9° | 179.9° |
| C5 | C4 | C3 | N2 | 179.1° | 180.0° |
| C4 | C5 | N1 | C7 | 0.5° | 0.1° |
| C5 | C4 | N2 | C7 | 0.7° | 0.0° |
| C5 | C4 | N2 | C8 | 179.4° | 180.0° |
| C4 | C5 | C6 | H1 | 179.9° | 179.9° |
| C5 | C4 | C3 | H11 | 179.6° | 180.0° |
| N1 | C5 | C4 | C3 | 179.9° | 180.0° |
| N1 | C5 | C4 | N2 | 0.8° | 0.0° |
| C5 | N1 | C7 | N2 | 0.1° | 0.0° |
| N1 | C5 | C6 | H1 | 0.0° | 0.0° |
| C5 | N1 | C7 | H2 | 179.9° | 180.0° |
| C3 | C4 | N2 | C7 | 179.9° | 180.0° |
| C3 | C4 | N2 | C8 | 1.4° | 0.0° |
| C4 | C3 | C2 | H10 | 179.0° | 179.9° |
| C4 | N2 | C7 | N1 | 0.4° | 0.0° |
| C4 | N2 | C7 | C8 | 178.8° | 180.0° |
| C4 | N2 | C8 | C9 | 4.6° | 85.0° |
| C4 | N2 | C7 | H2 | 179.6° | 180.0° |
| C4 | N2 | C8 | H3 | 116.1° | 34.9° |
| C4 | N2 | C8 | H4 | 125.3° | 155.0° |
| N2 | C4 | C3 | H11 | 0.5° | 0.0° |
| C10 | C11 | C12 | H8 | 180.0° | 179.9° |
| C11 | C10 | C9 | H5 | 180.0° | 179.8° |
| C10 | C11 | C12 | F1 | 179.9° | 180.0° |
| C10 | C11 | C12 | C13 | 0.5° | 0.1° |
| C11 | C10 | C9 | C8 | 179.1° | 179.8° |
| C11 | C10 | C9 | C14 | 0.3° | 0.2° |
| C12 | C11 | C10 | C9 | 0.5° | 0.1° |
| C11 | C12 | F1 | C13 | 179.4° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.2° |
| C12 | C11 | C10 | H5 | 179.5° | 179.7° |
| C11 | C12 | C13 | H6 | 179.9° | 179.6° |
| N1 | C7 | N2 | H2 | 180.0° | 180.0° |
| N1 | C7 | N2 | C8 | 179.2° | 180.0° |
| C10 | C9 | C8 | N2 | 78.8° | 90.0° |
| C10 | C9 | C8 | C14 | 179.3° | 179.9° |
| C10 | C9 | C14 | C13 | 0.1° | 0.4° |
| C10 | C9 | C8 | H3 | 160.5° | 150.0° |
| C10 | C9 | C8 | H4 | 41.9° | 30.0° |
| C9 | C10 | C11 | H8 | 179.5° | 180.0° |
| C10 | C9 | C14 | H9 | 179.9° | 179.5° |
| F1 | C12 | C13 | C14 | 179.5° | 179.8° |
| F1 | C12 | C13 | H6 | 0.5° | 0.3° |
| F1 | C12 | C11 | H8 | 0.1° | 0.1° |
| C12 | C13 | C14 | C9 | 0.2° | 0.5° |
| C12 | C13 | C14 | H6 | 180.0° | 179.4° |
| C13 | C12 | C11 | H8 | 179.5° | 180.0° |
| C12 | C13 | C14 | H9 | 179.8° | 179.4° |
| C7 | N2 | C8 | C9 | 176.9° | 95.0° |
| C7 | N2 | C8 | H3 | 62.4° | 145.1° |
| C7 | N2 | C8 | H4 | 56.2° | 25.0° |
| N2 | C8 | C9 | H3 | 120.7° | 120.0° |
| N2 | C8 | C9 | H4 | 120.8° | 120.0° |
| N2 | C8 | C9 | C14 | 100.5° | 90.0° |
| C8 | N2 | C7 | H2 | 0.8° | 0.0° |
| N2 | C8 | H3 | H4 | 117.7° | 120.1° |
| C8 | C9 | C14 | C13 | 179.4° | 179.5° |
| C9 | C8 | H3 | H4 | 117.7° | 120.0° |
| C8 | C9 | C10 | H5 | 0.9° | 0.0° |
| C8 | C9 | C14 | H9 | 0.5° | 0.6° |
| C9 | C14 | C13 | H9 | 180.0° | 179.9° |
| C14 | C9 | C8 | H3 | 20.2° | 29.9° |
| C14 | C9 | C8 | H4 | 138.7° | 149.9° |
| C14 | C9 | C10 | H5 | 179.7° | 179.9° |
| C9 | C14 | C13 | H6 | 179.8° | 179.9° |
| H1 | C6 | C1 | H7 | 0.5° | 0.0° |
| H5 | C10 | C11 | H8 | 0.5° | 0.2° |
| H6 | C13 | C14 | H9 | 0.2° | 0.0° |
| H7 | C1 | C2 | H10 | 1.1° | 0.0° |
| H10 | C2 | C3 | H11 | 1.0° | 0.0° |
