9QK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.36Å | Aromatic |
| C9 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | F | sing | 1.35Å | 1.36Å | |
| C6 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.48Å | 1.48Å | |
| O1 | C | doub | 1.21Å | 1.24Å | |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| O | C | sing | 1.35Å | 1.30Å | |
| C | C1 | sing | 1.48Å | 1.49Å | |
| C3 | N | sing | 1.32Å | 1.33Å | Aromatic |
| C1 | C15 | doub | 1.46Å | 1.42Å | Aromatic |
| N | C10 | doub | 1.33Å | 1.37Å | Aromatic |
| C15 | C10 | sing | 1.42Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.42Å | Aromatic |
| C14 | C13 | doub | 1.36Å | 1.37Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| O | H2 | sing | 0.97Å | 0.95Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 120.7° | 120.1° |
| C8 | C7 | C6 | 117.7° | 120.2° |
| C7 | C8 | H1 | 119.7° | 119.9° |
| C8 | C7 | H9 | 121.2° | 119.9° |
| C8 | C9 | C4 | 120.9° | 120.0° |
| C9 | C8 | H1 | 119.7° | 120.0° |
| C8 | C9 | H10 | 119.5° | 120.0° |
| C7 | C6 | F | 118.4° | 120.0° |
| C7 | C6 | C5 | 123.3° | 120.1° |
| C6 | C7 | H9 | 121.2° | 119.8° |
| C9 | C4 | C5 | 118.1° | 119.8° |
| C9 | C4 | C3 | 121.2° | 120.1° |
| C4 | C9 | H10 | 119.6° | 120.0° |
| F | C6 | C5 | 118.3° | 119.9° |
| C6 | C5 | C4 | 119.3° | 119.8° |
| C6 | C5 | H8 | 120.3° | 120.1° |
| C5 | C4 | C3 | 120.7° | 120.1° |
| C4 | C5 | H8 | 120.4° | 120.1° |
| C4 | C3 | C2 | 121.6° | 118.9° |
| C4 | C3 | N | 116.3° | 118.9° |
| O1 | C | O | 124.0° | 120.0° |
| O1 | C | C1 | 122.4° | 120.0° |
| C3 | C2 | C1 | 121.0° | 119.4° |
| C2 | C3 | N | 122.1° | 122.3° |
| C3 | C2 | H7 | 119.5° | 120.3° |
| C2 | C1 | C | 118.3° | 121.3° |
| C2 | C1 | C15 | 118.3° | 117.3° |
| C1 | C2 | H7 | 119.5° | 120.3° |
| O | C | C1 | 113.6° | 120.0° |
| C | O | H2 | 109.5° | 117.0° |
| C | C1 | C15 | 123.1° | 121.4° |
| C3 | N | C10 | 118.4° | 122.3° |
| C1 | C15 | C10 | 117.5° | 118.6° |
| C1 | C15 | C14 | 124.1° | 121.5° |
| N | C10 | C15 | 122.7° | 120.0° |
| N | C10 | C11 | 117.8° | 121.1° |
| C10 | C15 | C14 | 118.4° | 119.9° |
| C15 | C10 | C11 | 119.4° | 118.9° |
| C15 | C14 | C13 | 120.6° | 119.6° |
| C15 | C14 | H6 | 119.7° | 120.2° |
| C10 | C11 | C12 | 120.0° | 119.7° |
| C10 | C11 | H3 | 120.0° | 120.1° |
| C14 | C13 | C12 | 120.6° | 120.8° |
| C14 | C13 | H5 | 119.7° | 119.6° |
| C13 | C14 | H6 | 119.7° | 120.2° |
| C11 | C12 | C13 | 120.8° | 121.1° |
| C12 | C11 | H3 | 120.0° | 120.1° |
| C11 | C12 | H4 | 119.6° | 119.5° |
| C13 | C12 | H4 | 119.6° | 119.5° |
| C12 | C13 | H5 | 119.7° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H1 | 180.0° | 179.8° |
| C8 | C7 | C6 | H9 | 180.0° | 179.9° |
| C7 | C8 | C9 | C4 | 0.0° | 0.0° |
| C8 | C7 | C6 | F | 179.5° | 180.0° |
| C8 | C7 | C6 | C5 | 0.3° | 0.1° |
| C7 | C8 | C9 | H10 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.1° | 0.1° |
| C8 | C9 | C4 | H10 | 180.0° | 180.0° |
| C8 | C9 | C4 | C5 | 0.0° | 0.0° |
| C8 | C9 | C4 | C3 | 178.8° | 180.0° |
| C9 | C8 | C7 | H9 | 179.9° | 180.0° |
| C7 | C6 | F | C5 | 179.8° | 179.9° |
| C7 | C6 | C5 | C4 | 0.3° | 0.0° |
| C6 | C7 | C8 | H1 | 179.9° | 179.7° |
| C7 | C6 | C5 | H8 | 179.7° | 180.0° |
| C9 | C4 | C5 | C6 | 0.2° | 0.0° |
| C9 | C4 | C5 | C3 | 178.9° | 180.0° |
| C9 | C4 | C3 | C2 | 27.0° | 0.1° |
| C9 | C4 | C3 | N | 155.5° | 180.0° |
| C4 | C9 | C8 | H1 | 180.0° | 179.8° |
| C9 | C4 | C5 | H8 | 179.8° | 180.0° |
| F | C6 | C5 | C4 | 179.4° | 180.0° |
| F | C6 | C5 | H8 | 0.6° | 0.1° |
| F | C6 | C7 | H9 | 0.5° | 0.1° |
| C6 | C5 | C4 | H8 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 178.7° | 180.0° |
| C5 | C6 | C7 | H9 | 179.8° | 180.0° |
| C5 | C4 | C3 | C2 | 151.8° | 179.9° |
| C5 | C4 | C3 | N | 25.7° | 0.0° |
| C5 | C4 | C9 | H10 | 180.0° | 180.0° |
| C4 | C3 | C2 | N | 177.3° | 179.9° |
| C4 | C3 | C2 | C1 | 175.7° | 180.0° |
| C4 | C3 | N | C10 | 177.2° | 180.0° |
| C4 | C3 | C2 | H7 | 4.2° | 0.1° |
| C3 | C4 | C5 | H8 | 1.3° | 0.0° |
| C3 | C4 | C9 | H10 | 1.2° | 0.0° |
| O1 | C | C1 | C2 | 101.2° | 174.4° |
| O1 | C | O | C1 | 179.3° | 179.9° |
| O1 | C | C1 | C15 | 72.4° | 5.7° |
| O1 | C | O | H2 | 0.0° | 0.0° |
| C3 | C2 | C1 | H7 | 180.0° | 179.9° |
| C3 | C2 | C1 | C | 171.3° | 180.0° |
| C3 | C2 | C1 | C15 | 2.7° | 0.1° |
| C2 | C3 | N | C10 | 0.3° | 0.0° |
| C2 | C1 | C | O | 78.1° | 5.6° |
| C2 | C1 | C | C15 | 173.6° | 179.9° |
| C1 | C2 | C3 | N | 1.6° | 0.1° |
| C2 | C1 | C15 | C10 | 2.6° | 0.1° |
| C2 | C1 | C15 | C14 | 177.8° | 180.0° |
| O | C | C1 | C15 | 108.3° | 174.3° |
| C | C1 | C15 | C10 | 171.1° | 179.9° |
| C | C1 | C15 | C14 | 8.6° | 0.2° |
| C1 | C | O | H2 | 179.3° | 179.9° |
| C | C1 | C2 | H7 | 8.7° | 0.1° |
| C3 | N | C10 | C15 | 0.2° | 0.0° |
| C3 | N | C10 | C11 | 179.6° | 179.9° |
| N | C3 | C2 | H7 | 178.5° | 180.0° |
| C1 | C15 | C10 | N | 1.4° | 0.0° |
| C1 | C15 | C10 | C14 | 179.7° | 179.9° |
| C1 | C15 | C10 | C11 | 178.4° | 179.9° |
| C1 | C15 | C14 | C13 | 178.8° | 180.0° |
| C1 | C15 | C14 | H6 | 1.2° | 0.0° |
| C15 | C1 | C2 | H7 | 177.3° | 180.0° |
| N | C10 | C15 | C11 | 179.9° | 179.9° |
| N | C10 | C15 | C14 | 178.9° | 179.9° |
| N | C10 | C11 | C12 | 179.5° | 180.0° |
| N | C10 | C11 | H3 | 0.6° | 0.1° |
| C10 | C15 | C14 | C13 | 0.9° | 0.1° |
| C15 | C10 | C11 | C12 | 0.7° | 0.1° |
| C15 | C10 | C11 | H3 | 179.3° | 180.0° |
| C10 | C15 | C14 | H6 | 179.1° | 179.9° |
| C14 | C15 | C10 | C11 | 1.2° | 0.0° |
| C15 | C14 | C13 | H6 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.1° |
| C15 | C14 | C13 | H5 | 179.9° | 180.0° |
| C10 | C11 | C12 | H3 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.3° | 0.1° |
| C10 | C11 | C12 | H4 | 179.7° | 179.9° |
| C14 | C13 | C12 | C11 | 0.7° | 0.0° |
| C14 | C13 | C12 | H5 | 180.0° | 180.0° |
| C14 | C13 | C12 | H4 | 179.3° | 180.0° |
| C11 | C12 | C13 | H4 | 180.0° | 180.0° |
| C11 | C12 | C13 | H5 | 179.3° | 180.0° |
| C13 | C12 | C11 | H3 | 179.7° | 180.0° |
| C12 | C13 | C14 | H6 | 179.9° | 179.9° |
| H1 | C8 | C7 | H9 | 0.1° | 0.2° |
| H1 | C8 | C9 | H10 | 0.0° | 0.2° |
| H3 | C11 | C12 | H4 | 0.3° | 0.0° |
| H4 | C12 | C13 | H5 | 0.7° | 0.1° |
| H5 | C13 | C14 | H6 | 0.1° | 0.0° |
