6QO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C14 | sing | 1.35Å | 1.35Å | |
| O2 | C13 | sing | 1.36Å | 1.35Å | |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.48Å | 1.50Å | |
| C8 | N | doub | 1.32Å | 1.35Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | N | sing | 1.33Å | 1.36Å | Aromatic |
| C4 | C3 | sing | 1.48Å | 1.51Å | |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| O1 | C3 | doub | 1.22Å | 1.23Å | |
| C3 | C2 | sing | 1.48Å | 1.51Å | |
| C2 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C | sing | 1.39Å | 1.37Å | Aromatic |
| C17 | F1 | sing | 1.35Å | 1.35Å | |
| C | O | sing | 1.36Å | 1.34Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| O | H7 | sing | 0.97Å | 0.95Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| O2 | H9 | sing | 0.97Å | 0.95Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C14 | C13 | 118.3° | 120.1° |
| F | C14 | C9 | 120.1° | 120.1° |
| O2 | C13 | C14 | 120.3° | 120.0° |
| O2 | C13 | C12 | 119.4° | 120.0° |
| C13 | O2 | H9 | 109.5° | 114.0° |
| C7 | C6 | C5 | 119.3° | 118.6° |
| C6 | C7 | C8 | 119.1° | 119.3° |
| C7 | C6 | H3 | 120.4° | 120.7° |
| C6 | C7 | H4 | 120.5° | 120.4° |
| C6 | C5 | C4 | 118.2° | 119.3° |
| C6 | C5 | H2 | 120.9° | 120.4° |
| C5 | C6 | H3 | 120.4° | 120.7° |
| C7 | C8 | C9 | 124.6° | 119.7° |
| C7 | C8 | N | 121.2° | 120.7° |
| C8 | C7 | H4 | 120.5° | 120.3° |
| C13 | C14 | C9 | 121.5° | 119.8° |
| C14 | C13 | C12 | 120.4° | 120.0° |
| C14 | C9 | C8 | 122.4° | 120.1° |
| C14 | C9 | C10 | 117.3° | 119.8° |
| C13 | C12 | C11 | 119.1° | 120.2° |
| C13 | C12 | H10 | 120.4° | 119.9° |
| C5 | C4 | N | 122.7° | 120.6° |
| C5 | C4 | C3 | 122.3° | 119.7° |
| C4 | C5 | H2 | 120.9° | 120.4° |
| C9 | C8 | N | 114.2° | 119.6° |
| C8 | C9 | C10 | 120.2° | 120.1° |
| C8 | N | C4 | 119.6° | 121.5° |
| C9 | C10 | C11 | 121.4° | 120.0° |
| C9 | C10 | H5 | 119.3° | 120.0° |
| C12 | C11 | C10 | 120.2° | 120.2° |
| C11 | C12 | H10 | 120.4° | 119.8° |
| C12 | C11 | H11 | 119.9° | 119.9° |
| N | C4 | C3 | 115.0° | 119.7° |
| C4 | C3 | O1 | 117.3° | 120.0° |
| C4 | C3 | C2 | 121.2° | 120.0° |
| C11 | C10 | H5 | 119.3° | 120.0° |
| C10 | C11 | H11 | 119.9° | 119.9° |
| O1 | C3 | C2 | 121.4° | 120.0° |
| C3 | C2 | C15 | 120.5° | 120.1° |
| C3 | C2 | C1 | 121.1° | 120.1° |
| C15 | C2 | C1 | 118.4° | 119.8° |
| C2 | C15 | C16 | 121.9° | 120.0° |
| C2 | C15 | H8 | 119.1° | 120.0° |
| C2 | C1 | C | 119.7° | 119.8° |
| C2 | C1 | H1 | 120.2° | 120.1° |
| C15 | C16 | C17 | 117.8° | 120.2° |
| C15 | C16 | H6 | 121.1° | 119.8° |
| C16 | C15 | H8 | 119.0° | 120.0° |
| C16 | C17 | C | 122.9° | 120.3° |
| C16 | C17 | F1 | 121.9° | 119.9° |
| C17 | C16 | H6 | 121.1° | 120.0° |
| C1 | C | C17 | 119.3° | 120.0° |
| C1 | C | O | 122.2° | 120.0° |
| C | C1 | H1 | 120.2° | 120.1° |
| C | C17 | F1 | 115.2° | 119.9° |
| C17 | C | O | 118.4° | 120.0° |
| C | O | H7 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C14 | C13 | O2 | 1.0° | 0.0° |
| F | C14 | C13 | C9 | 178.8° | 180.0° |
| F | C14 | C13 | C12 | 179.8° | 180.0° |
| F | C14 | C9 | C8 | 1.1° | 0.0° |
| F | C14 | C9 | C10 | 180.0° | 179.8° |
| O2 | C13 | C14 | C12 | 179.2° | 180.0° |
| O2 | C13 | C14 | C9 | 179.7° | 180.0° |
| O2 | C13 | C12 | C11 | 179.2° | 179.7° |
| O2 | C13 | C12 | H10 | 0.8° | 0.0° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | H4 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C6 | C7 | C8 | C9 | 179.2° | 180.0° |
| C6 | C7 | C8 | N | 1.3° | 0.1° |
| C7 | C6 | C5 | H2 | 179.9° | 179.9° |
| C5 | C6 | C7 | C8 | 0.4° | 0.0° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | N | 0.2° | 0.0° |
| C6 | C5 | C4 | C3 | 178.3° | 179.7° |
| C5 | C6 | C7 | H4 | 179.6° | 180.0° |
| C7 | C8 | C9 | C14 | 46.7° | 174.7° |
| C7 | C8 | C9 | N | 178.1° | 180.0° |
| C7 | C8 | C9 | C10 | 134.5° | 5.5° |
| C7 | C8 | N | C4 | 1.6° | 0.0° |
| C8 | C7 | C6 | H3 | 179.6° | 180.0° |
| C13 | C14 | C9 | C8 | 179.9° | 180.0° |
| C13 | C14 | C9 | C10 | 1.2° | 0.2° |
| C14 | C13 | C12 | C11 | 0.0° | 0.3° |
| C14 | C13 | O2 | H9 | 180.0° | 90.0° |
| C14 | C13 | C12 | H10 | 180.0° | 180.0° |
| C9 | C14 | C13 | C12 | 1.1° | 0.1° |
| C14 | C9 | C8 | C10 | 178.9° | 179.8° |
| C14 | C9 | C8 | N | 131.4° | 5.2° |
| C14 | C9 | C10 | C11 | 0.4° | 0.3° |
| C14 | C9 | C10 | H5 | 179.7° | 179.8° |
| C13 | C12 | C11 | H10 | 180.0° | 179.7° |
| C13 | C12 | C11 | C10 | 0.8° | 0.3° |
| C12 | C13 | O2 | H9 | 0.8° | 90.0° |
| C13 | C12 | C11 | H11 | 179.2° | 179.7° |
| C5 | C4 | N | C8 | 1.1° | 0.0° |
| C5 | C4 | N | C3 | 178.2° | 179.7° |
| C5 | C4 | C3 | O1 | 44.7° | 84.7° |
| C5 | C4 | C3 | C2 | 139.4° | 95.3° |
| C4 | C5 | C6 | H3 | 179.9° | 180.0° |
| C9 | C8 | N | C4 | 179.8° | 180.0° |
| C8 | C9 | C10 | C11 | 179.3° | 180.0° |
| C9 | C8 | C7 | H4 | 0.8° | 0.0° |
| C8 | C9 | C10 | H5 | 0.8° | 0.0° |
| N | C8 | C9 | C10 | 47.5° | 174.5° |
| C8 | N | C4 | C3 | 179.3° | 179.7° |
| N | C8 | C7 | H4 | 178.7° | 180.0° |
| C9 | C10 | C11 | C12 | 0.7° | 0.0° |
| C9 | C10 | C11 | H5 | 180.0° | 179.9° |
| C9 | C10 | C11 | H11 | 179.3° | 180.0° |
| C12 | C11 | C10 | H11 | 180.0° | 180.0° |
| C12 | C11 | C10 | H5 | 179.3° | 180.0° |
| N | C4 | C3 | O1 | 133.4° | 95.0° |
| N | C4 | C3 | C2 | 42.4° | 85.0° |
| N | C4 | C5 | H2 | 179.8° | 180.0° |
| C4 | C3 | O1 | C2 | 175.8° | 180.0° |
| C4 | C3 | C2 | C15 | 9.1° | 5.1° |
| C4 | C3 | C2 | C1 | 171.5° | 174.9° |
| C3 | C4 | C5 | H2 | 1.7° | 0.3° |
| C10 | C11 | C12 | H10 | 179.2° | 180.0° |
| O1 | C3 | C2 | C15 | 175.2° | 174.8° |
| O1 | C3 | C2 | C1 | 4.2° | 5.2° |
| C3 | C2 | C15 | C1 | 179.4° | 180.0° |
| C3 | C2 | C15 | C16 | 179.7° | 180.0° |
| C3 | C2 | C1 | C | 179.9° | 180.0° |
| C3 | C2 | C1 | H1 | 0.1° | 0.3° |
| C3 | C2 | C15 | H8 | 0.3° | 0.0° |
| C2 | C15 | C16 | H8 | 180.0° | 180.0° |
| C2 | C15 | C16 | C17 | 0.1° | 0.3° |
| C15 | C2 | C1 | C | 0.5° | 0.0° |
| C15 | C2 | C1 | H1 | 179.5° | 179.7° |
| C2 | C15 | C16 | H6 | 179.9° | 179.8° |
| C1 | C2 | C15 | C16 | 0.9° | 0.0° |
| C2 | C1 | C | H1 | 180.0° | 179.7° |
| C2 | C1 | C | C17 | 0.7° | 0.3° |
| C2 | C1 | C | O | 178.8° | 179.7° |
| C1 | C2 | C15 | H8 | 179.1° | 180.0° |
| C15 | C16 | C17 | H6 | 180.0° | 179.5° |
| C15 | C16 | C17 | C | 1.2° | 0.5° |
| C15 | C16 | C17 | F1 | 179.9° | 179.5° |
| C16 | C17 | C | C1 | 1.6° | 0.6° |
| C16 | C17 | C | F1 | 179.0° | 180.0° |
| C16 | C17 | C | O | 179.8° | 179.5° |
| C17 | C16 | C15 | H8 | 179.9° | 179.7° |
| C1 | C | C17 | O | 178.2° | 179.9° |
| C1 | C | C17 | F1 | 179.4° | 179.5° |
| C1 | C | O | H7 | 180.0° | 89.9° |
| C17 | C | C1 | H1 | 179.3° | 180.0° |
| C | C17 | C16 | H6 | 178.8° | 180.0° |
| C17 | C | O | H7 | 1.9° | 90.0° |
| F1 | C17 | C | O | 1.2° | 0.5° |
| F1 | C17 | C16 | H6 | 0.1° | 0.0° |
| O | C | C1 | H1 | 1.2° | 0.0° |
| H2 | C5 | C6 | H3 | 0.2° | 0.0° |
| H3 | C6 | C7 | H4 | 0.4° | 0.0° |
| H5 | C10 | C11 | H11 | 0.7° | 0.0° |
| H6 | C16 | C15 | H8 | 0.1° | 0.3° |
| H10 | C12 | C11 | H11 | 0.8° | 0.0° |
