RLA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C7 | sing | 1.40Å | 1.30Å | |
| F3 | C7 | sing | 1.40Å | 1.32Å | |
| C7 | F2 | sing | 1.40Å | 1.35Å | |
| C7 | C1 | sing | 1.51Å | 1.54Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.43Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.43Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C8 | sing | 1.51Å | 1.56Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C14 | C10 | sing | 1.51Å | 1.49Å | |
| C9 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
| C9 | C12 | sing | 1.40Å | 1.44Å | Aromatic |
| C10 | N1 | sing | 1.35Å | 1.33Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| N1 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C15 | sing | 1.47Å | 1.54Å | |
| C15 | O2 | sing | 1.35Å | 1.44Å | |
| C15 | O1 | doub | 1.22Å | 1.23Å | |
| O2 | C16 | sing | 1.45Å | 1.41Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| C5 | H51 | sing | 1.08Å | 1.08Å | |
| C6 | H61 | sing | 1.08Å | 1.08Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C7 | F3 | 110.9° | 109.5° |
| F1 | C7 | F2 | 108.5° | 109.5° |
| F1 | C7 | C1 | 108.2° | 109.5° |
| F3 | C7 | F2 | 108.9° | 109.5° |
| F3 | C7 | C1 | 112.3° | 109.4° |
| F2 | C7 | C1 | 107.9° | 109.5° |
| C7 | C1 | C2 | 119.6° | 120.0° |
| C7 | C1 | C6 | 118.6° | 120.0° |
| C1 | C2 | C3 | 120.8° | 120.0° |
| C2 | C1 | C6 | 121.7° | 120.0° |
| C1 | C2 | H21 | 119.6° | 120.0° |
| C2 | C3 | C4 | 118.6° | 120.0° |
| C3 | C2 | H21 | 119.6° | 120.1° |
| C2 | C3 | H31 | 120.7° | 119.9° |
| C1 | C6 | C5 | 117.3° | 120.0° |
| C1 | C6 | H61 | 121.3° | 120.0° |
| C3 | C4 | C5 | 122.2° | 120.0° |
| C3 | C4 | C8 | 116.5° | 120.0° |
| C4 | C3 | H31 | 120.7° | 120.0° |
| C6 | C5 | C4 | 119.3° | 120.0° |
| C6 | C5 | H51 | 120.3° | 120.0° |
| C5 | C6 | H61 | 121.3° | 120.0° |
| C5 | C4 | C8 | 121.2° | 120.0° |
| C4 | C5 | H51 | 120.3° | 120.0° |
| C4 | C8 | C9 | 112.1° | 109.4° |
| C4 | C8 | H81 | 108.8° | 109.5° |
| C4 | C8 | H82 | 108.8° | 109.5° |
| C8 | C9 | C10 | 128.3° | 126.1° |
| C8 | C9 | C12 | 123.3° | 126.1° |
| C9 | C8 | H81 | 108.8° | 109.5° |
| C9 | C8 | H82 | 108.8° | 109.5° |
| C14 | C10 | C9 | 126.3° | 125.5° |
| C14 | C10 | N1 | 123.7° | 125.5° |
| C10 | C14 | H143 | 109.5° | 109.5° |
| C10 | C14 | H141 | 109.4° | 109.4° |
| C10 | C14 | H142 | 109.5° | 109.4° |
| C10 | C9 | C12 | 107.9° | 107.8° |
| C9 | C10 | N1 | 110.0° | 109.0° |
| C9 | C12 | C13 | 127.7° | 126.5° |
| C9 | C12 | C11 | 103.3° | 106.9° |
| C10 | N1 | C11 | 108.0° | 108.7° |
| C10 | N1 | H1 | 126.0° | 125.6° |
| C13 | C12 | C11 | 128.9° | 126.5° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H133 | 109.4° | 109.5° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C11 | N1 | 110.7° | 107.5° |
| C12 | C11 | C15 | 127.4° | 126.3° |
| N1 | C11 | C15 | 121.4° | 126.2° |
| C11 | N1 | H1 | 126.0° | 125.6° |
| C11 | C15 | O2 | 105.8° | 120.0° |
| C11 | C15 | O1 | 129.2° | 120.0° |
| O2 | C15 | O1 | 123.8° | 120.0° |
| C15 | O2 | C16 | 109.7° | 117.0° |
| O2 | C16 | C17 | 108.7° | 109.5° |
| O2 | C16 | H162 | 109.7° | 109.5° |
| O2 | C16 | H161 | 109.7° | 109.4° |
| C17 | C16 | H162 | 109.7° | 109.5° |
| C17 | C16 | H161 | 109.7° | 109.5° |
| C16 | C17 | H171 | 109.5° | 109.5° |
| C16 | C17 | H173 | 109.5° | 109.5° |
| C16 | C17 | H172 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.4° |
| H132 | C13 | H131 | 109.4° | 109.5° |
| H133 | C13 | H131 | 109.5° | 109.5° |
| H143 | C14 | H141 | 109.5° | 109.5° |
| H143 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.4° | 109.5° |
| H171 | C17 | H173 | 109.4° | 109.5° |
| H171 | C17 | H172 | 109.4° | 109.5° |
| H173 | C17 | H172 | 109.5° | 109.4° |
| H81 | C8 | H82 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C7 | F3 | F2 | 119.3° | 120.0° |
| F1 | C7 | F3 | C1 | 121.2° | 120.0° |
| F1 | C7 | F2 | C1 | 117.1° | 120.0° |
| F1 | C7 | C1 | C2 | 11.7° | 150.2° |
| F1 | C7 | C1 | C6 | 165.1° | 30.0° |
| F3 | C7 | F2 | C1 | 122.1° | 120.0° |
| F3 | C7 | C1 | C2 | 134.4° | 30.3° |
| F3 | C7 | C1 | C6 | 42.4° | 150.0° |
| F2 | C7 | C1 | C2 | 105.5° | 89.7° |
| F2 | C7 | C1 | C6 | 77.6° | 90.0° |
| C7 | C1 | C2 | C6 | 176.7° | 179.8° |
| C7 | C1 | C2 | C3 | 178.8° | 179.7° |
| C7 | C1 | C6 | C5 | 179.4° | 179.6° |
| C7 | C1 | C2 | H21 | 1.1° | 0.3° |
| C7 | C1 | C6 | H61 | 0.6° | 0.2° |
| C1 | C2 | C3 | H21 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 2.1° | 0.0° |
| C2 | C1 | C6 | C5 | 3.8° | 0.1° |
| C1 | C2 | C3 | H31 | 177.9° | 180.0° |
| C2 | C1 | C6 | H61 | 176.2° | 180.0° |
| C3 | C2 | C1 | C6 | 4.4° | 0.1° |
| C2 | C3 | C4 | H31 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.8° | 0.0° |
| C2 | C3 | C4 | C8 | 177.0° | 179.9° |
| C1 | C6 | C5 | H61 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 1.0° | 0.2° |
| C6 | C1 | C2 | H21 | 175.6° | 180.0° |
| C1 | C6 | C5 | H51 | 179.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.2° | 0.1° |
| C3 | C4 | C5 | C8 | 176.1° | 180.0° |
| C3 | C4 | C8 | C9 | 179.9° | 90.0° |
| C4 | C3 | C2 | H21 | 178.0° | 180.0° |
| C3 | C4 | C5 | H51 | 178.8° | 180.0° |
| C3 | C4 | C8 | H81 | 59.5° | 150.0° |
| C3 | C4 | C8 | H82 | 59.7° | 29.9° |
| C6 | C5 | C4 | H51 | 180.0° | 179.8° |
| C6 | C5 | C4 | C8 | 177.3° | 179.9° |
| C5 | C4 | C8 | C9 | 3.6° | 90.0° |
| C5 | C4 | C3 | H31 | 179.3° | 180.0° |
| C4 | C5 | C6 | H61 | 179.0° | 180.0° |
| C5 | C4 | C8 | H81 | 116.8° | 29.9° |
| C5 | C4 | C8 | H82 | 124.0° | 150.0° |
| C4 | C8 | C9 | H81 | 120.4° | 120.0° |
| C4 | C8 | C9 | H82 | 120.4° | 120.0° |
| C4 | C8 | C9 | C10 | 100.1° | 90.0° |
| C4 | C8 | C9 | C12 | 88.8° | 90.0° |
| C8 | C4 | C3 | H31 | 3.0° | 0.0° |
| C8 | C4 | C5 | H51 | 2.7° | 0.0° |
| C4 | C8 | H81 | H82 | 118.8° | 120.0° |
| C8 | C9 | C10 | C14 | 5.1° | 0.3° |
| C8 | C9 | C10 | C12 | 172.2° | 179.9° |
| C8 | C9 | C10 | N1 | 174.1° | 179.9° |
| C8 | C9 | C12 | C13 | 7.3° | 0.3° |
| C8 | C9 | C12 | C11 | 176.3° | 179.7° |
| C9 | C8 | H81 | H82 | 118.8° | 120.0° |
| C14 | C10 | C9 | N1 | 179.2° | 179.7° |
| C14 | C10 | C9 | C12 | 177.4° | 179.7° |
| C14 | C10 | N1 | C11 | 180.0° | 179.9° |
| C10 | C14 | H143 | H141 | 120.0° | 120.0° |
| C10 | C14 | H143 | H142 | 120.0° | 120.0° |
| C10 | C14 | H141 | H142 | 120.0° | 119.9° |
| C14 | C10 | N1 | H1 | 0.0° | 0.1° |
| C10 | C9 | C12 | C13 | 180.0° | 179.8° |
| C10 | C9 | C12 | C11 | 3.6° | 0.2° |
| C9 | C10 | N1 | C11 | 0.7° | 0.2° |
| C9 | C10 | C14 | H143 | 89.5° | 89.7° |
| C9 | C10 | C14 | H141 | 150.4° | 30.3° |
| C9 | C10 | C14 | H142 | 30.4° | 150.3° |
| C10 | C9 | C8 | H81 | 20.3° | 29.9° |
| C10 | C9 | C8 | H82 | 139.5° | 150.0° |
| C9 | C10 | N1 | H1 | 179.3° | 179.7° |
| C12 | C9 | C10 | N1 | 1.9° | 0.0° |
| C9 | C12 | C13 | C11 | 175.5° | 180.0° |
| C9 | C12 | C11 | N1 | 4.1° | 0.3° |
| C9 | C12 | C11 | C15 | 176.3° | 180.0° |
| C9 | C12 | C13 | H132 | 87.8° | 90.0° |
| C9 | C12 | C13 | H133 | 152.2° | 29.9° |
| C9 | C12 | C13 | H131 | 32.2° | 150.0° |
| C12 | C9 | C8 | H81 | 150.8° | 150.0° |
| C12 | C9 | C8 | H82 | 31.6° | 29.9° |
| C10 | N1 | C11 | C12 | 3.2° | 0.3° |
| C10 | N1 | C11 | H1 | 180.0° | 179.9° |
| C10 | N1 | C11 | C15 | 175.9° | 180.0° |
| N1 | C10 | C14 | H143 | 89.6° | 90.0° |
| N1 | C10 | C14 | H141 | 30.4° | 150.0° |
| N1 | C10 | C14 | H142 | 150.4° | 30.0° |
| C13 | C12 | C11 | N1 | 179.5° | 179.7° |
| C13 | C12 | C11 | C15 | 7.3° | 0.0° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H131 | 120.0° | 120.0° |
| C12 | C13 | H133 | H131 | 120.0° | 120.0° |
| C12 | C11 | N1 | C15 | 172.8° | 179.7° |
| C12 | C11 | C15 | O2 | 169.9° | 180.0° |
| C12 | C11 | C15 | O1 | 2.4° | 0.0° |
| C11 | C12 | C13 | H132 | 87.7° | 90.0° |
| C11 | C12 | C13 | H133 | 32.3° | 150.1° |
| C11 | C12 | C13 | H131 | 152.3° | 30.0° |
| C12 | C11 | N1 | H1 | 176.8° | 179.5° |
| N1 | C11 | C15 | O2 | 1.6° | 0.4° |
| N1 | C11 | C15 | O1 | 169.1° | 179.6° |
| C11 | C15 | O2 | O1 | 168.4° | 180.0° |
| C11 | C15 | O2 | C16 | 170.3° | 180.0° |
| C15 | C11 | N1 | H1 | 4.1° | 0.1° |
| C15 | O2 | C16 | C17 | 97.4° | 180.0° |
| C15 | O2 | C16 | H162 | 22.6° | 60.0° |
| C15 | O2 | C16 | H161 | 142.8° | 60.0° |
| O1 | C15 | O2 | C16 | 1.9° | 0.0° |
| O2 | C16 | C17 | H162 | 119.9° | 120.0° |
| O2 | C16 | C17 | H161 | 119.9° | 119.9° |
| O2 | C16 | H162 | H161 | 120.3° | 119.9° |
| O2 | C16 | C17 | H171 | 180.0° | 180.0° |
| O2 | C16 | C17 | H173 | 60.0° | 60.0° |
| O2 | C16 | C17 | H172 | 60.0° | 60.0° |
| C17 | C16 | H162 | H161 | 120.3° | 120.0° |
| C16 | C17 | H171 | H173 | 120.0° | 120.0° |
| C16 | C17 | H171 | H172 | 120.0° | 120.0° |
| C16 | C17 | H173 | H172 | 120.0° | 120.0° |
| H132 | C13 | H133 | H131 | 120.0° | 120.0° |
| H143 | C14 | H141 | H142 | 120.0° | 120.0° |
| H162 | C16 | C17 | H171 | 60.1° | 60.0° |
| H162 | C16 | C17 | H173 | 179.9° | 60.0° |
| H162 | C16 | C17 | H172 | 59.9° | 180.0° |
| H161 | C16 | C17 | H171 | 60.1° | 60.1° |
| H161 | C16 | C17 | H173 | 59.9° | 179.9° |
| H161 | C16 | C17 | H172 | 179.9° | 60.0° |
| H171 | C17 | H173 | H172 | 119.9° | 120.0° |
| H21 | C2 | C3 | H31 | 2.1° | 0.0° |
| H51 | C5 | C6 | H61 | 1.0° | 0.1° |
