W5Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C9 | sing | 1.35Å | 1.36Å | |
| C9 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | F | sing | 1.35Å | 1.35Å | |
| C6 | C4 | sing | 1.51Å | 1.52Å | |
| O | C2 | doub | 1.21Å | 1.23Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | N1 | sing | 1.47Å | 1.51Å | |
| N1 | C3 | sing | 1.47Å | 1.50Å | |
| C2 | C3 | sing | 1.51Å | 1.56Å | |
| C2 | N | sing | 1.35Å | 1.33Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| C1 | C | sing | 1.53Å | 1.49Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| N | H14 | sing | 0.97Å | 1.00Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C9 | C8 | 118.5° | 120.0° |
| F1 | C9 | C10 | 118.4° | 120.0° |
| C8 | C9 | C10 | 123.1° | 120.0° |
| C9 | C8 | C7 | 118.2° | 120.0° |
| C9 | C8 | H4 | 120.9° | 120.0° |
| C9 | C10 | C11 | 116.6° | 120.0° |
| C9 | C10 | H13 | 121.7° | 120.0° |
| C8 | C7 | C6 | 121.4° | 120.0° |
| C8 | C7 | H3 | 119.3° | 120.0° |
| C7 | C8 | H4 | 120.9° | 120.0° |
| C10 | C11 | C6 | 123.7° | 120.0° |
| C10 | C11 | F | 118.4° | 120.0° |
| C11 | C10 | H13 | 121.7° | 120.0° |
| C7 | C6 | C11 | 116.9° | 120.0° |
| C7 | C6 | C4 | 121.6° | 120.0° |
| C6 | C7 | H3 | 119.3° | 120.0° |
| C6 | C11 | F | 117.9° | 120.0° |
| C11 | C6 | C4 | 121.5° | 120.0° |
| C6 | C4 | C5 | 112.8° | 109.4° |
| C6 | C4 | N1 | 111.7° | 109.5° |
| C6 | C4 | H10 | 108.1° | 109.5° |
| O | C2 | C3 | 121.5° | 120.0° |
| O | C2 | N | 123.1° | 120.0° |
| C5 | C4 | N1 | 107.9° | 109.4° |
| C4 | C5 | H7 | 109.5° | 109.5° |
| C4 | C5 | H8 | 109.5° | 109.5° |
| C4 | C5 | H9 | 109.5° | 109.5° |
| C5 | C4 | H10 | 108.0° | 109.5° |
| C4 | N1 | C3 | 113.8° | 111.0° |
| C4 | N1 | H1 | 108.4° | 111.0° |
| N1 | C4 | H10 | 108.2° | 109.5° |
| N1 | C3 | C2 | 109.2° | 109.5° |
| C3 | N1 | H1 | 108.4° | 111.0° |
| N1 | C3 | H11 | 109.5° | 109.5° |
| N1 | C3 | H12 | 109.5° | 109.5° |
| C3 | C2 | N | 115.4° | 120.0° |
| C2 | C3 | H11 | 109.5° | 109.5° |
| C2 | C3 | H12 | 109.6° | 109.4° |
| C2 | N | C1 | 122.2° | 120.0° |
| C2 | N | H14 | 118.9° | 120.0° |
| N | C1 | C | 111.2° | 109.5° |
| N | C1 | H5 | 109.1° | 109.5° |
| N | C1 | H6 | 109.0° | 109.4° |
| C1 | N | H14 | 118.9° | 120.0° |
| C | C1 | H5 | 109.0° | 109.5° |
| C | C1 | H6 | 109.0° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| C1 | C | H16 | 109.5° | 109.5° |
| C1 | C | H17 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.4° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H7 | C5 | H9 | 109.4° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H11 | C3 | H12 | 109.5° | 109.5° |
| H15 | C | H16 | 109.5° | 109.5° |
| H15 | C | H17 | 109.5° | 109.4° |
| H16 | C | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C9 | C8 | C10 | 179.7° | 180.0° |
| F1 | C9 | C8 | C7 | 179.9° | 180.0° |
| F1 | C9 | C10 | C11 | 180.0° | 179.7° |
| F1 | C9 | C8 | H4 | 0.1° | 0.0° |
| F1 | C9 | C10 | H13 | 0.0° | 0.1° |
| C9 | C8 | C7 | H4 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.3° | 0.3° |
| C9 | C8 | C7 | C6 | 0.2° | 0.1° |
| C9 | C8 | C7 | H3 | 179.8° | 179.7° |
| C8 | C9 | C10 | H13 | 179.7° | 179.9° |
| C10 | C9 | C8 | C7 | 0.2° | 0.0° |
| C9 | C10 | C11 | H13 | 180.0° | 179.7° |
| C9 | C10 | C11 | C6 | 0.1° | 0.5° |
| C9 | C10 | C11 | F | 179.8° | 179.9° |
| C10 | C9 | C8 | H4 | 179.8° | 180.0° |
| C8 | C7 | C6 | H3 | 180.0° | 179.7° |
| C8 | C7 | C6 | C11 | 0.4° | 0.3° |
| C8 | C7 | C6 | C4 | 178.8° | 179.7° |
| C10 | C11 | C6 | C7 | 0.2° | 0.5° |
| C10 | C11 | C6 | F | 179.9° | 179.5° |
| C10 | C11 | C6 | C4 | 178.9° | 179.5° |
| C7 | C6 | C11 | C4 | 179.1° | 180.0° |
| C7 | C6 | C11 | F | 179.9° | 179.9° |
| C7 | C6 | C4 | C5 | 116.2° | 100.0° |
| C7 | C6 | C4 | N1 | 5.6° | 20.0° |
| C6 | C7 | C8 | H4 | 179.8° | 180.0° |
| C7 | C6 | C4 | H10 | 124.5° | 140.0° |
| C11 | C6 | C4 | C5 | 62.9° | 80.0° |
| C11 | C6 | C4 | N1 | 175.3° | 160.0° |
| C11 | C6 | C7 | H3 | 179.6° | 180.0° |
| C11 | C6 | C4 | H10 | 56.4° | 40.0° |
| C6 | C11 | C10 | H13 | 179.9° | 179.8° |
| F | C11 | C6 | C4 | 1.0° | 0.1° |
| F | C11 | C10 | H13 | 0.2° | 0.3° |
| C6 | C4 | C5 | N1 | 123.8° | 120.0° |
| C6 | C4 | C5 | H10 | 119.4° | 120.0° |
| C6 | C4 | N1 | H10 | 118.9° | 120.1° |
| C6 | C4 | N1 | C3 | 94.5° | 155.0° |
| C6 | C4 | N1 | H1 | 26.1° | 31.1° |
| C4 | C6 | C7 | H3 | 1.2° | 0.0° |
| C6 | C4 | C5 | H7 | 180.0° | 180.0° |
| C6 | C4 | C5 | H8 | 60.0° | 60.0° |
| C6 | C4 | C5 | H9 | 60.0° | 60.0° |
| O | C2 | C3 | N1 | 26.2° | 0.0° |
| O | C2 | C3 | N | 179.8° | 179.9° |
| O | C2 | N | C1 | 2.8° | 0.1° |
| O | C2 | C3 | H11 | 146.2° | 120.0° |
| O | C2 | C3 | H12 | 93.7° | 120.1° |
| O | C2 | N | H14 | 177.1° | 180.0° |
| C5 | C4 | N1 | H10 | 116.7° | 120.0° |
| C5 | C4 | N1 | C3 | 141.0° | 85.0° |
| C5 | C4 | N1 | H1 | 98.4° | 151.0° |
| C4 | C5 | H7 | H8 | 120.0° | 120.0° |
| C4 | C5 | H7 | H9 | 120.0° | 120.0° |
| C4 | C5 | H8 | H9 | 120.0° | 120.0° |
| C4 | N1 | C3 | H1 | 120.6° | 123.9° |
| C4 | N1 | C3 | C2 | 136.2° | 179.9° |
| N1 | C4 | C5 | H7 | 56.2° | 60.0° |
| N1 | C4 | C5 | H8 | 63.9° | 60.0° |
| N1 | C4 | C5 | H9 | 176.2° | 180.0° |
| C4 | N1 | C3 | H11 | 103.8° | 60.0° |
| C4 | N1 | C3 | H12 | 16.3° | 60.0° |
| N1 | C3 | C2 | H11 | 120.0° | 120.0° |
| N1 | C3 | C2 | H12 | 119.9° | 120.0° |
| N1 | C3 | C2 | N | 153.6° | 180.0° |
| C3 | N1 | C4 | H10 | 24.3° | 35.0° |
| N1 | C3 | H11 | H12 | 120.1° | 120.0° |
| C3 | C2 | N | C1 | 177.0° | 180.0° |
| C2 | C3 | N1 | H1 | 15.6° | 56.0° |
| C2 | C3 | H11 | H12 | 120.1° | 120.0° |
| C3 | C2 | N | H14 | 3.1° | 0.0° |
| C2 | N | C1 | H14 | 180.0° | 180.0° |
| C2 | N | C1 | C | 117.2° | 180.0° |
| C2 | N | C1 | H5 | 122.5° | 59.9° |
| C2 | N | C1 | H6 | 3.1° | 60.0° |
| N | C2 | C3 | H11 | 33.6° | 60.0° |
| N | C2 | C3 | H12 | 86.5° | 60.0° |
| N | C1 | C | H5 | 120.3° | 120.0° |
| N | C1 | C | H6 | 120.3° | 120.0° |
| N | C1 | H5 | H6 | 119.2° | 120.0° |
| N | C1 | C | H15 | 180.0° | 60.0° |
| N | C1 | C | H16 | 60.0° | 60.0° |
| N | C1 | C | H17 | 60.0° | 180.0° |
| C | C1 | H5 | H6 | 119.2° | 120.0° |
| C | C1 | N | H14 | 62.8° | 0.0° |
| C1 | C | H15 | H16 | 120.0° | 120.0° |
| C1 | C | H15 | H17 | 120.0° | 120.0° |
| C1 | C | H16 | H17 | 120.0° | 120.0° |
| H1 | N1 | C4 | H10 | 145.0° | 89.0° |
| H1 | N1 | C3 | H11 | 135.6° | 176.0° |
| H1 | N1 | C3 | H12 | 104.4° | 64.0° |
| H3 | C7 | C8 | H4 | 0.2° | 0.3° |
| H5 | C1 | N | H14 | 57.4° | 120.0° |
| H5 | C1 | C | H15 | 59.7° | 180.0° |
| H5 | C1 | C | H16 | 179.7° | 60.0° |
| H5 | C1 | C | H17 | 60.3° | 60.0° |
| H6 | C1 | N | H14 | 176.9° | 120.0° |
| H6 | C1 | C | H15 | 59.7° | 60.0° |
| H6 | C1 | C | H16 | 60.3° | 180.0° |
| H6 | C1 | C | H17 | 179.7° | 60.0° |
| H7 | C5 | H8 | H9 | 120.0° | 120.0° |
| H7 | C5 | C4 | H10 | 60.6° | 60.0° |
| H8 | C5 | C4 | H10 | 179.3° | 180.0° |
| H9 | C5 | C4 | H10 | 59.4° | 60.0° |
| H15 | C | H16 | H17 | 120.0° | 119.9° |
