1OQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C7 | sing | 1.51Å | 1.50Å | |
| C9 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
| C7 | C8 | sing | 1.47Å | 1.47Å | |
| C7 | C4 | sing | 1.51Å | 1.49Å | |
| C10 | N2 | sing | 1.32Å | 1.36Å | Aromatic |
| C10 | C14 | sing | 1.51Å | 1.49Å | |
| F4 | C14 | sing | 1.40Å | 1.30Å | |
| C8 | N1 | trip | 1.14Å | 1.15Å | |
| C14 | F2 | sing | 1.40Å | 1.31Å | |
| C14 | F3 | sing | 1.40Å | 1.30Å | |
| C5 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | F1 | sing | 1.35Å | 1.35Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 121.0° | 118.5° |
| C12 | C13 | C9 | 120.7° | 119.1° |
| C13 | C12 | H2 | 119.5° | 120.8° |
| C12 | C13 | H3 | 119.7° | 120.4° |
| C12 | C11 | C10 | 114.8° | 119.1° |
| C12 | C11 | H1 | 122.6° | 120.5° |
| C11 | C12 | H2 | 119.5° | 120.8° |
| C13 | C9 | C7 | 122.1° | 119.6° |
| C13 | C9 | N2 | 117.6° | 120.8° |
| C9 | C13 | H3 | 119.6° | 120.5° |
| C11 | C10 | N2 | 123.3° | 120.8° |
| C11 | C10 | C14 | 120.4° | 119.6° |
| C10 | C11 | H1 | 122.6° | 120.4° |
| C7 | C9 | N2 | 120.2° | 119.6° |
| C9 | C7 | C8 | 110.5° | 109.5° |
| C9 | C7 | C4 | 114.9° | 109.5° |
| C9 | C7 | H4 | 106.6° | 109.5° |
| C9 | N2 | C10 | 122.6° | 121.7° |
| C8 | C7 | C4 | 110.7° | 109.5° |
| C7 | C8 | N1 | 178.0° | 180.0° |
| C8 | C7 | H4 | 106.9° | 109.5° |
| C7 | C4 | C5 | 117.3° | 120.0° |
| C7 | C4 | C3 | 121.6° | 120.0° |
| C4 | C7 | H4 | 106.7° | 109.5° |
| N2 | C10 | C14 | 116.3° | 119.6° |
| C10 | C14 | F4 | 112.0° | 109.5° |
| C10 | C14 | F2 | 107.4° | 109.5° |
| C10 | C14 | F3 | 111.1° | 109.4° |
| F4 | C14 | F2 | 107.9° | 109.5° |
| F4 | C14 | F3 | 110.0° | 109.5° |
| F2 | C14 | F3 | 108.4° | 109.5° |
| C4 | C5 | C6 | 120.2° | 120.0° |
| C5 | C4 | C3 | 121.1° | 120.1° |
| C4 | C5 | H7 | 119.9° | 120.0° |
| C5 | C6 | C1 | 118.8° | 120.0° |
| C6 | C5 | H7 | 119.9° | 120.0° |
| C5 | C6 | H8 | 120.6° | 120.0° |
| C4 | C3 | C2 | 119.0° | 120.0° |
| C4 | C3 | H5 | 120.5° | 120.0° |
| C6 | C1 | C2 | 120.9° | 119.9° |
| C6 | C1 | F1 | 118.7° | 120.0° |
| C1 | C6 | H8 | 120.6° | 120.0° |
| C3 | C2 | C1 | 119.9° | 120.0° |
| C2 | C3 | H5 | 120.5° | 120.0° |
| C3 | C2 | H6 | 120.1° | 120.0° |
| C2 | C1 | F1 | 120.4° | 120.0° |
| C1 | C2 | H6 | 120.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H2 | 180.0° | 179.7° |
| C12 | C13 | C9 | H3 | 180.0° | 179.7° |
| C13 | C12 | C11 | C10 | 2.0° | 0.0° |
| C12 | C13 | C9 | C7 | 179.0° | 180.0° |
| C12 | C13 | C9 | N2 | 1.3° | 0.6° |
| C13 | C12 | C11 | H1 | 178.0° | 179.9° |
| C11 | C12 | C13 | C9 | 2.2° | 0.3° |
| C12 | C11 | C10 | H1 | 180.0° | 180.0° |
| C12 | C11 | C10 | N2 | 1.1° | 0.0° |
| C12 | C11 | C10 | C14 | 180.0° | 179.7° |
| C11 | C12 | C13 | H3 | 177.8° | 180.0° |
| C13 | C9 | C7 | N2 | 177.6° | 179.5° |
| C13 | C9 | C7 | C8 | 139.9° | 35.0° |
| C13 | C9 | C7 | C4 | 94.0° | 85.0° |
| C13 | C9 | N2 | C10 | 0.4° | 0.6° |
| C9 | C13 | C12 | H2 | 177.8° | 180.0° |
| C13 | C9 | C7 | H4 | 24.0° | 155.0° |
| C11 | C10 | N2 | C9 | 0.3° | 0.3° |
| C11 | C10 | N2 | C14 | 179.0° | 179.7° |
| C11 | C10 | C14 | F4 | 38.9° | 175.3° |
| C11 | C10 | C14 | F2 | 157.2° | 64.7° |
| C11 | C10 | C14 | F3 | 84.5° | 55.3° |
| C10 | C11 | C12 | H2 | 178.0° | 179.7° |
| C9 | C7 | C8 | C4 | 128.5° | 120.0° |
| C9 | C7 | C8 | H4 | 115.7° | 120.0° |
| C9 | C7 | C4 | H4 | 118.0° | 120.0° |
| C7 | C9 | N2 | C10 | 178.1° | 179.9° |
| C9 | C7 | C8 | N1 | 53.7° | 86.5° |
| C9 | C7 | C4 | C5 | 148.1° | 60.3° |
| C9 | C7 | C4 | C3 | 33.6° | 120.0° |
| C7 | C9 | C13 | H3 | 1.0° | 0.2° |
| N2 | C9 | C7 | C8 | 37.7° | 144.5° |
| N2 | C9 | C7 | C4 | 88.4° | 95.5° |
| C9 | N2 | C10 | C14 | 179.3° | 180.0° |
| N2 | C9 | C13 | H3 | 178.6° | 179.7° |
| N2 | C9 | C7 | H4 | 153.6° | 24.5° |
| C8 | C7 | C4 | H4 | 116.0° | 120.0° |
| C8 | C7 | C4 | C5 | 85.9° | 59.7° |
| C8 | C7 | C4 | C3 | 92.4° | 120.0° |
| C4 | C7 | C8 | N1 | 177.8° | 153.5° |
| C7 | C4 | C5 | C3 | 178.3° | 179.7° |
| C7 | C4 | C5 | C6 | 179.0° | 180.0° |
| C7 | C4 | C3 | C2 | 178.7° | 180.0° |
| C7 | C4 | C3 | H5 | 1.3° | 0.0° |
| C7 | C4 | C5 | H7 | 1.0° | 0.0° |
| N2 | C10 | C14 | F4 | 140.1° | 5.0° |
| N2 | C10 | C14 | F2 | 21.8° | 115.0° |
| N2 | C10 | C14 | F3 | 96.5° | 125.0° |
| N2 | C10 | C11 | H1 | 178.9° | 180.0° |
| C10 | C14 | F4 | F2 | 118.0° | 120.0° |
| C10 | C14 | F4 | F3 | 124.0° | 120.0° |
| C10 | C14 | F2 | F3 | 120.0° | 120.0° |
| C14 | C10 | C11 | H1 | 0.0° | 0.3° |
| F4 | C14 | F2 | F3 | 119.1° | 120.0° |
| N1 | C8 | C7 | H4 | 62.0° | 33.5° |
| C4 | C5 | C6 | H7 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.3° | 0.0° |
| C5 | C4 | C3 | C2 | 3.1° | 0.3° |
| C5 | C4 | C7 | H4 | 30.1° | 179.7° |
| C5 | C4 | C3 | H5 | 176.9° | 179.7° |
| C4 | C5 | C6 | H8 | 179.7° | 180.0° |
| C6 | C5 | C4 | C3 | 2.7° | 0.3° |
| C5 | C6 | C1 | H8 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 1.6° | 0.3° |
| C5 | C6 | C1 | F1 | 179.2° | 180.0° |
| C4 | C3 | C2 | H5 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 1.1° | 0.0° |
| C3 | C4 | C7 | H4 | 151.6° | 0.0° |
| C4 | C3 | C2 | H6 | 179.0° | 179.9° |
| C3 | C4 | C5 | H7 | 177.2° | 179.7° |
| C6 | C1 | C2 | C3 | 1.3° | 0.3° |
| C6 | C1 | C2 | F1 | 177.5° | 179.7° |
| C6 | C1 | C2 | H6 | 178.7° | 179.8° |
| C1 | C6 | C5 | H7 | 179.6° | 180.0° |
| C3 | C2 | C1 | H6 | 180.0° | 179.9° |
| C3 | C2 | C1 | F1 | 178.8° | 180.0° |
| C1 | C2 | C3 | H5 | 178.9° | 180.0° |
| C2 | C1 | C6 | H8 | 178.4° | 179.7° |
| F1 | C1 | C2 | H6 | 1.2° | 0.1° |
| F1 | C1 | C6 | H8 | 0.8° | 0.0° |
| H1 | C11 | C12 | H2 | 2.0° | 0.3° |
| H2 | C12 | C13 | H3 | 2.2° | 0.3° |
| H5 | C3 | C2 | H6 | 1.0° | 0.1° |
| H7 | C5 | C6 | H8 | 0.4° | 0.0° |
