WGS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | F | sing | 1.35Å | 1.33Å | |
| C | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | N | doub | 1.32Å | 1.36Å | Aromatic |
| N | C4 | sing | 1.32Å | 1.39Å | Aromatic |
| C4 | C | doub | 1.39Å | 1.43Å | Aromatic |
| N1 | C4 | sing | 1.39Å | 1.39Å | |
| C5 | N1 | sing | 1.46Å | 1.47Å | |
| C6 | C5 | sing | 1.53Å | 1.55Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | O | sing | 1.43Å | 1.41Å | |
| O | C9 | sing | 1.43Å | 1.41Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C6 | sing | 1.53Å | 1.53Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C | C1 | 119.8° | 120.5° |
| F | C | C4 | 120.7° | 120.5° |
| C | C1 | C2 | 119.4° | 118.5° |
| C1 | C | C4 | 119.6° | 119.0° |
| C | C1 | H | 120.3° | 120.7° |
| C1 | C2 | C3 | 118.8° | 119.3° |
| C2 | C1 | H | 120.3° | 120.7° |
| C1 | C2 | H1 | 120.6° | 120.4° |
| C2 | C3 | N | 123.7° | 120.9° |
| C3 | C2 | H1 | 120.6° | 120.3° |
| C2 | C3 | H2 | 118.1° | 119.5° |
| C3 | N | C4 | 118.0° | 121.6° |
| N | C3 | H2 | 118.1° | 119.6° |
| N | C4 | C | 120.5° | 120.6° |
| N | C4 | N1 | 119.3° | 119.7° |
| C | C4 | N1 | 120.2° | 119.7° |
| C4 | N1 | C5 | 123.3° | 120.0° |
| C4 | N1 | H3 | 105.9° | 119.9° |
| N1 | C5 | C6 | 117.7° | 109.4° |
| C5 | N1 | H3 | 105.9° | 120.1° |
| N1 | C5 | H5 | 107.4° | 109.5° |
| N1 | C5 | H4 | 107.4° | 109.5° |
| C5 | C6 | C7 | 114.7° | 109.5° |
| C5 | C6 | C10 | 111.5° | 109.5° |
| C6 | C5 | H5 | 107.4° | 109.5° |
| C6 | C5 | H4 | 107.4° | 109.4° |
| C5 | C6 | H6 | 107.4° | 109.5° |
| C6 | C7 | C8 | 108.4° | 109.1° |
| C7 | C6 | C10 | 107.6° | 109.1° |
| C7 | C6 | H6 | 107.8° | 109.6° |
| C6 | C7 | H7 | 109.7° | 109.5° |
| C6 | C7 | H8 | 109.7° | 109.5° |
| C7 | C8 | O | 112.4° | 109.4° |
| C8 | C7 | H7 | 109.7° | 109.5° |
| C8 | C7 | H8 | 109.8° | 109.5° |
| C7 | C8 | H9 | 108.7° | 109.5° |
| C7 | C8 | H10 | 108.7° | 109.4° |
| C8 | O | C9 | 114.8° | 114.1° |
| O | C8 | H9 | 108.7° | 109.5° |
| O | C8 | H10 | 108.7° | 109.5° |
| O | C9 | C10 | 111.1° | 109.4° |
| O | C9 | H11 | 109.1° | 109.5° |
| O | C9 | H12 | 109.1° | 109.5° |
| C9 | C10 | C6 | 107.8° | 109.1° |
| C9 | C10 | H13 | 109.9° | 109.5° |
| C9 | C10 | H14 | 109.9° | 109.6° |
| C10 | C9 | H11 | 109.1° | 109.5° |
| C10 | C9 | H12 | 109.1° | 109.5° |
| C10 | C6 | H6 | 107.6° | 109.6° |
| C6 | C10 | H13 | 109.9° | 109.5° |
| C6 | C10 | H14 | 109.9° | 109.5° |
| H5 | C5 | H4 | 109.4° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.6° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.6° |
| H11 | C9 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C | C1 | C4 | 179.9° | 180.0° |
| F | C | C1 | C2 | 179.0° | 180.0° |
| F | C | C4 | N | 178.5° | 179.7° |
| F | C | C4 | N1 | 2.6° | 0.1° |
| F | C | C1 | H | 1.0° | 0.0° |
| C | C1 | C2 | H | 180.0° | 179.9° |
| C | C1 | C2 | C3 | 0.0° | 0.3° |
| C1 | C | C4 | N | 1.6° | 0.3° |
| C1 | C | C4 | N1 | 177.3° | 180.0° |
| C | C1 | C2 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | H1 | 180.0° | 179.6° |
| C1 | C2 | C3 | N | 0.8° | 0.3° |
| C2 | C1 | C | C4 | 1.1° | 0.0° |
| C1 | C2 | C3 | H2 | 179.2° | 180.0° |
| C2 | C3 | N | H2 | 180.0° | 179.7° |
| C2 | C3 | N | C4 | 0.3° | 0.0° |
| C3 | C2 | C1 | H | 180.0° | 179.7° |
| C3 | N | C4 | C | 0.9° | 0.3° |
| C3 | N | C4 | N1 | 178.0° | 180.0° |
| N | C3 | C2 | H1 | 179.2° | 179.9° |
| N | C4 | C | N1 | 178.9° | 179.6° |
| N | C4 | N1 | C5 | 0.2° | 0.6° |
| N | C4 | N1 | H3 | 122.1° | 179.7° |
| C4 | N | C3 | H2 | 179.7° | 179.7° |
| C | C4 | N1 | C5 | 178.7° | 179.7° |
| C | C4 | N1 | H3 | 56.8° | 0.1° |
| C4 | C | C1 | H | 178.9° | 179.9° |
| C4 | N1 | C5 | H3 | 121.9° | 179.7° |
| C4 | N1 | C5 | C6 | 122.4° | 180.0° |
| C4 | N1 | C5 | H5 | 1.2° | 60.1° |
| C4 | N1 | C5 | H4 | 116.5° | 60.0° |
| N1 | C5 | C6 | H5 | 121.2° | 120.0° |
| N1 | C5 | C6 | H4 | 121.2° | 120.0° |
| N1 | C5 | C6 | C7 | 14.4° | 175.0° |
| N1 | C5 | C6 | C10 | 137.0° | 65.4° |
| N1 | C5 | H5 | H4 | 116.3° | 120.1° |
| N1 | C5 | C6 | H6 | 105.3° | 54.8° |
| C5 | C6 | C7 | C10 | 124.6° | 119.9° |
| C5 | C6 | C7 | H6 | 119.5° | 120.1° |
| C5 | C6 | C7 | C8 | 167.8° | 176.9° |
| C5 | C6 | C10 | C9 | 163.9° | 176.8° |
| C5 | C6 | C10 | H6 | 117.5° | 120.2° |
| C6 | C5 | N1 | H3 | 115.7° | 0.3° |
| C6 | C5 | H5 | H4 | 116.3° | 120.0° |
| C5 | C6 | C7 | H7 | 72.3° | 63.3° |
| C5 | C6 | C7 | H8 | 48.0° | 57.0° |
| C5 | C6 | C10 | H13 | 44.2° | 57.0° |
| C5 | C6 | C10 | H14 | 76.4° | 63.2° |
| C6 | C7 | C8 | H7 | 119.8° | 119.9° |
| C6 | C7 | C8 | H8 | 119.8° | 119.9° |
| C6 | C7 | C8 | O | 19.2° | 57.6° |
| C7 | C6 | C10 | C9 | 69.5° | 57.0° |
| C7 | C6 | C10 | H6 | 115.9° | 120.0° |
| C7 | C6 | C5 | H5 | 106.8° | 55.0° |
| C7 | C6 | C5 | H4 | 135.6° | 65.0° |
| C6 | C7 | H7 | H8 | 120.5° | 120.2° |
| C6 | C7 | C8 | H9 | 139.7° | 62.4° |
| C6 | C7 | C8 | H10 | 101.3° | 177.6° |
| C7 | C6 | C10 | H13 | 170.8° | 62.9° |
| C7 | C6 | C10 | H14 | 50.2° | 176.9° |
| C7 | C8 | O | H9 | 120.5° | 120.0° |
| C7 | C8 | O | H10 | 120.4° | 120.0° |
| C7 | C8 | O | C9 | 64.6° | 61.1° |
| C8 | C7 | C6 | C10 | 43.2° | 57.0° |
| C8 | C7 | C6 | H6 | 72.6° | 63.0° |
| C8 | C7 | H7 | H8 | 120.5° | 120.2° |
| C7 | C8 | H9 | H10 | 118.6° | 120.0° |
| C8 | O | C9 | C10 | 36.8° | 61.1° |
| O | C8 | C7 | H7 | 100.6° | 177.4° |
| O | C8 | C7 | H8 | 139.0° | 62.3° |
| O | C8 | H9 | H10 | 118.6° | 120.1° |
| C8 | O | C9 | H11 | 157.0° | 178.9° |
| C8 | O | C9 | H12 | 83.5° | 58.8° |
| O | C9 | C10 | H11 | 120.2° | 120.0° |
| O | C9 | C10 | H12 | 120.3° | 120.0° |
| O | C9 | C10 | C6 | 28.6° | 57.6° |
| C9 | O | C8 | H9 | 175.0° | 58.8° |
| C9 | O | C8 | H10 | 55.9° | 178.9° |
| O | C9 | C10 | H13 | 148.3° | 62.3° |
| O | C9 | C10 | H14 | 91.2° | 177.5° |
| O | C9 | H11 | H12 | 119.3° | 120.0° |
| C9 | C10 | C6 | H13 | 119.7° | 119.8° |
| C9 | C10 | C6 | H14 | 119.7° | 119.9° |
| C9 | C10 | C6 | H6 | 46.4° | 63.0° |
| C9 | C10 | H13 | H14 | 120.7° | 120.2° |
| C10 | C9 | H11 | H12 | 119.3° | 120.0° |
| C10 | C6 | C5 | H5 | 15.9° | 174.6° |
| C10 | C6 | C5 | H4 | 101.8° | 54.6° |
| C10 | C6 | C7 | H7 | 163.0° | 176.9° |
| C10 | C6 | C7 | H8 | 76.6° | 62.9° |
| C6 | C10 | H13 | H14 | 120.8° | 120.2° |
| C6 | C10 | C9 | H11 | 91.7° | 177.6° |
| C6 | C10 | C9 | H12 | 148.8° | 62.4° |
| H3 | N1 | C5 | H5 | 123.1° | 120.3° |
| H3 | N1 | C5 | H4 | 5.4° | 119.7° |
| H5 | C5 | C6 | H6 | 133.5° | 65.2° |
| H4 | C5 | C6 | H6 | 15.9° | 174.8° |
| H6 | C6 | C7 | H7 | 47.2° | 56.8° |
| H6 | C6 | C7 | H8 | 167.6° | 177.1° |
| H6 | C6 | C10 | H13 | 73.3° | 177.2° |
| H6 | C6 | C10 | H14 | 166.1° | 56.9° |
| H7 | C7 | C8 | H9 | 19.8° | 57.5° |
| H7 | C7 | C8 | H10 | 138.9° | 62.5° |
| H8 | C7 | C8 | H9 | 100.5° | 177.7° |
| H8 | C7 | C8 | H10 | 18.6° | 57.7° |
| H13 | C10 | C9 | H11 | 28.1° | 57.7° |
| H13 | C10 | C9 | H12 | 91.4° | 177.7° |
| H14 | C10 | C9 | H11 | 148.6° | 62.5° |
| H14 | C10 | C9 | H12 | 29.1° | 57.5° |
| H | C1 | C2 | H1 | 0.0° | 0.1° |
| H1 | C2 | C3 | H2 | 0.8° | 0.4° |
