1R5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C10 | sing | 1.35Å | 1.34Å | |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.48Å | |
| C6 | C13 | doub | 1.40Å | 1.43Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.36Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C3 | doub | 1.40Å | 1.42Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.43Å | Aromatic |
| C4 | N | sing | 1.38Å | 1.49Å | |
| C3 | C2 | sing | 1.46Å | 1.48Å | |
| N | C | sing | 1.35Å | 1.40Å | |
| C2 | C1 | doub | 1.36Å | 1.45Å | |
| C | C1 | sing | 1.46Å | 1.48Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C1 | O1 | sing | 1.36Å | 1.34Å | |
| C9 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C10 | C11 | 119.3° | 119.9° |
| F | C10 | C9 | 119.6° | 119.9° |
| C11 | C10 | C9 | 121.1° | 120.2° |
| C10 | C11 | C12 | 120.3° | 120.1° |
| C10 | C11 | H3 | 119.8° | 120.0° |
| C10 | C9 | C8 | 119.5° | 120.1° |
| C10 | C9 | H1 | 120.2° | 119.9° |
| C11 | C12 | C7 | 119.1° | 119.9° |
| C12 | C11 | H3 | 119.8° | 120.0° |
| C11 | C12 | H4 | 120.4° | 120.0° |
| C9 | C8 | C7 | 118.5° | 119.9° |
| C8 | C9 | H1 | 120.2° | 120.0° |
| C9 | C8 | H2 | 120.7° | 120.0° |
| C12 | C7 | C8 | 121.5° | 119.8° |
| C12 | C7 | C6 | 117.7° | 120.1° |
| C7 | C12 | H4 | 120.5° | 120.1° |
| C8 | C7 | C6 | 120.9° | 120.1° |
| C7 | C8 | H2 | 120.7° | 120.0° |
| C7 | C6 | C13 | 118.2° | 119.8° |
| C7 | C6 | C5 | 120.0° | 119.8° |
| C13 | C6 | C5 | 121.8° | 120.4° |
| C6 | C13 | C14 | 119.9° | 120.4° |
| C6 | C13 | H7 | 120.1° | 119.8° |
| C6 | C5 | C4 | 118.2° | 119.8° |
| C6 | C5 | H5 | 120.9° | 120.1° |
| C13 | C14 | C3 | 118.6° | 120.0° |
| C14 | C13 | H7 | 120.0° | 119.8° |
| C13 | C14 | H8 | 120.7° | 120.0° |
| C5 | C4 | C3 | 120.7° | 119.5° |
| C5 | C4 | N | 116.4° | 120.3° |
| C4 | C5 | H5 | 120.9° | 120.1° |
| C14 | C3 | C4 | 120.8° | 120.0° |
| C14 | C3 | C2 | 118.7° | 120.5° |
| C3 | C14 | H8 | 120.7° | 120.0° |
| C3 | C4 | N | 122.9° | 120.3° |
| C4 | C3 | C2 | 120.5° | 119.4° |
| C4 | N | C | 117.5° | 121.1° |
| C4 | N | H6 | 121.2° | 119.5° |
| C3 | C2 | C1 | 115.4° | 118.7° |
| C3 | C2 | H9 | 122.3° | 120.7° |
| N | C | C1 | 120.2° | 120.9° |
| N | C | O | 120.3° | 119.5° |
| C | N | H6 | 121.3° | 119.4° |
| C2 | C1 | C | 123.5° | 119.6° |
| C2 | C1 | O1 | 118.5° | 120.2° |
| C1 | C2 | H9 | 122.3° | 120.6° |
| C1 | C | O | 119.4° | 119.6° |
| C | C1 | O1 | 117.9° | 120.2° |
| C1 | O1 | H10 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C10 | C11 | C9 | 177.6° | 179.7° |
| F | C10 | C11 | C12 | 178.1° | 180.0° |
| F | C10 | C9 | C8 | 177.7° | 180.0° |
| F | C10 | C9 | H1 | 2.3° | 0.1° |
| F | C10 | C11 | H3 | 1.8° | 0.0° |
| C10 | C11 | C12 | H3 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.1° | 0.3° |
| C10 | C11 | C12 | C7 | 0.2° | 0.1° |
| C11 | C10 | C9 | H1 | 179.8° | 179.8° |
| C10 | C11 | C12 | H4 | 179.8° | 179.9° |
| C9 | C10 | C11 | C12 | 0.6° | 0.3° |
| C10 | C9 | C8 | H1 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 1.0° | 0.0° |
| C10 | C9 | C8 | H2 | 179.0° | 179.9° |
| C9 | C10 | C11 | H3 | 179.4° | 179.7° |
| C11 | C12 | C7 | H4 | 180.0° | 179.9° |
| C11 | C12 | C7 | C8 | 1.4° | 0.2° |
| C11 | C12 | C7 | C6 | 179.4° | 180.0° |
| C9 | C8 | C7 | C12 | 1.8° | 0.2° |
| C9 | C8 | C7 | H2 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 179.7° | 180.0° |
| C12 | C7 | C8 | C6 | 177.9° | 179.8° |
| C12 | C7 | C6 | C13 | 33.7° | 179.8° |
| C12 | C7 | C6 | C5 | 147.9° | 0.5° |
| C12 | C7 | C8 | H2 | 178.2° | 179.8° |
| C7 | C12 | C11 | H3 | 179.8° | 180.0° |
| C8 | C7 | C6 | C13 | 144.3° | 0.0° |
| C8 | C7 | C6 | C5 | 34.1° | 179.7° |
| C7 | C8 | C9 | H1 | 179.0° | 180.0° |
| C8 | C7 | C12 | H4 | 178.6° | 179.7° |
| C7 | C6 | C13 | C5 | 178.4° | 179.8° |
| C7 | C6 | C13 | C14 | 179.7° | 180.0° |
| C7 | C6 | C5 | C4 | 179.9° | 180.0° |
| C6 | C7 | C8 | H2 | 0.3° | 0.0° |
| C6 | C7 | C12 | H4 | 0.6° | 0.2° |
| C7 | C6 | C5 | H5 | 0.1° | 0.0° |
| C7 | C6 | C13 | H7 | 0.3° | 0.0° |
| C6 | C13 | C14 | H7 | 180.0° | 180.0° |
| C13 | C6 | C5 | C4 | 1.7° | 0.3° |
| C6 | C13 | C14 | C3 | 1.0° | 0.0° |
| C13 | C6 | C5 | H5 | 178.3° | 179.8° |
| C6 | C13 | C14 | H8 | 179.0° | 180.0° |
| C5 | C6 | C13 | C14 | 1.9° | 0.3° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.7° | 0.0° |
| C6 | C5 | C4 | N | 179.7° | 180.0° |
| C5 | C6 | C13 | H7 | 178.1° | 179.7° |
| C13 | C14 | C3 | H8 | 180.0° | 179.9° |
| C13 | C14 | C3 | C4 | 0.0° | 0.2° |
| C13 | C14 | C3 | C2 | 178.9° | 180.0° |
| C5 | C4 | C3 | C14 | 0.2° | 0.2° |
| C5 | C4 | C3 | N | 179.0° | 180.0° |
| C5 | C4 | C3 | C2 | 179.0° | 180.0° |
| C5 | C4 | N | C | 178.2° | 180.0° |
| C5 | C4 | N | H6 | 1.8° | 0.0° |
| C14 | C3 | C4 | C2 | 178.8° | 179.8° |
| C14 | C3 | C4 | N | 178.8° | 179.8° |
| C14 | C3 | C2 | C1 | 179.8° | 179.9° |
| C3 | C14 | C13 | H7 | 179.0° | 180.0° |
| C14 | C3 | C2 | H9 | 0.2° | 0.2° |
| C3 | C4 | N | C | 2.7° | 0.0° |
| C4 | C3 | C2 | C1 | 1.4° | 0.1° |
| C3 | C4 | C5 | H5 | 179.3° | 180.0° |
| C3 | C4 | N | H6 | 177.3° | 180.0° |
| C4 | C3 | C14 | H8 | 180.0° | 179.7° |
| C4 | C3 | C2 | H9 | 178.6° | 180.0° |
| N | C4 | C3 | C2 | 0.0° | 0.0° |
| C4 | N | C | H6 | 180.0° | 180.0° |
| C4 | N | C | C1 | 3.9° | 0.0° |
| C4 | N | C | O | 179.2° | 180.0° |
| N | C4 | C5 | H5 | 0.3° | 0.0° |
| C3 | C2 | C1 | H9 | 180.0° | 179.9° |
| C3 | C2 | C1 | C | 0.2° | 0.1° |
| C3 | C2 | C1 | O1 | 179.1° | 179.9° |
| C2 | C3 | C14 | H8 | 1.1° | 0.0° |
| N | C | C1 | C2 | 2.6° | 0.0° |
| N | C | C1 | O | 177.0° | 180.0° |
| N | C | C1 | O1 | 176.4° | 180.0° |
| C2 | C1 | C | O1 | 179.0° | 180.0° |
| C2 | C1 | C | O | 179.6° | 179.9° |
| C2 | C1 | O1 | H10 | 179.3° | 179.9° |
| C1 | C | N | H6 | 176.1° | 180.0° |
| C | C1 | C2 | H9 | 179.8° | 180.0° |
| C | C1 | O1 | H10 | 0.3° | 0.1° |
| O | C | C1 | O1 | 0.6° | 0.1° |
| O | C | N | H6 | 0.9° | 0.0° |
| O1 | C1 | C2 | H9 | 0.9° | 0.0° |
| H1 | C9 | C8 | H2 | 1.0° | 0.0° |
| H3 | C11 | C12 | H4 | 0.2° | 0.1° |
| H7 | C13 | C14 | H8 | 1.0° | 0.0° |
