FXX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | C18 | doub | 1.21Å | 1.26Å | |
| O20 | C18 | sing | 1.34Å | 1.26Å | |
| C18 | C17 | sing | 1.51Å | 1.53Å | |
| N11 | C10 | sing | 1.47Å | 1.49Å | |
| C17 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | O12 | doub | 1.21Å | 1.22Å | |
| C9 | N8 | sing | 1.35Å | 1.35Å | |
| N8 | C4 | sing | 1.40Å | 1.37Å | |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | O7 | sing | 1.36Å | 1.37Å | |
| C2 | C1 | doub | 1.39Å | 1.37Å | Aromatic |
| F16 | C | sing | 1.40Å | 1.32Å | |
| C6 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| O7 | C | sing | 1.43Å | 1.41Å | |
| C | F13 | sing | 1.40Å | 1.32Å | |
| C | F14 | sing | 1.40Å | 1.32Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| N8 | H5 | sing | 0.97Å | 1.00Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| N11 | H7 | sing | 1.01Å | 1.00Å | |
| N11 | H8 | sing | 1.01Å | 1.00Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| O20 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | C18 | O20 | 123.0° | 120.0° |
| O19 | C18 | C17 | 122.9° | 120.0° |
| O20 | C18 | C17 | 114.1° | 120.0° |
| C18 | O20 | H12 | 109.5° | 117.0° |
| C18 | C17 | C10 | 118.8° | 109.4° |
| C18 | C17 | H10 | 107.1° | 109.5° |
| C18 | C17 | H11 | 107.1° | 109.5° |
| N11 | C10 | C17 | 112.7° | 109.5° |
| N11 | C10 | C9 | 107.7° | 109.5° |
| N11 | C10 | H6 | 109.6° | 109.5° |
| C10 | N11 | H7 | 109.5° | 111.0° |
| C10 | N11 | H8 | 109.5° | 111.0° |
| C17 | C10 | C9 | 108.5° | 109.5° |
| C17 | C10 | H6 | 108.9° | 109.5° |
| C10 | C17 | H10 | 107.1° | 109.5° |
| C10 | C17 | H11 | 107.1° | 109.4° |
| C10 | C9 | O12 | 117.4° | 120.0° |
| C10 | C9 | N8 | 118.2° | 120.1° |
| C9 | C10 | H6 | 109.3° | 109.4° |
| O12 | C9 | N8 | 124.4° | 120.0° |
| C9 | N8 | C4 | 126.7° | 120.0° |
| C9 | N8 | H5 | 116.7° | 119.9° |
| N8 | C4 | C3 | 118.4° | 120.0° |
| N8 | C4 | C5 | 124.2° | 120.0° |
| C4 | N8 | H5 | 116.6° | 120.0° |
| C3 | C4 | C5 | 117.4° | 119.9° |
| C4 | C3 | C2 | 121.1° | 119.9° |
| C4 | C3 | H2 | 119.4° | 120.1° |
| C4 | C5 | C6 | 120.8° | 120.0° |
| C4 | C5 | H3 | 119.6° | 120.0° |
| C3 | C2 | O7 | 121.7° | 120.0° |
| C3 | C2 | C1 | 120.6° | 120.0° |
| C2 | C3 | H2 | 119.4° | 120.1° |
| C5 | C6 | C1 | 121.0° | 120.2° |
| C6 | C5 | H3 | 119.6° | 120.0° |
| C5 | C6 | H4 | 119.5° | 120.0° |
| O7 | C2 | C1 | 117.6° | 120.0° |
| C2 | O7 | C | 125.6° | 117.0° |
| C2 | C1 | C6 | 119.0° | 120.1° |
| C2 | C1 | H1 | 120.5° | 120.0° |
| F16 | C | O7 | 105.1° | 109.5° |
| F16 | C | F13 | 114.7° | 109.4° |
| F16 | C | F14 | 107.6° | 109.5° |
| C6 | C1 | H1 | 120.5° | 120.0° |
| C1 | C6 | H4 | 119.5° | 119.9° |
| O7 | C | F13 | 110.1° | 109.5° |
| O7 | C | F14 | 110.8° | 109.5° |
| F13 | C | F14 | 108.4° | 109.4° |
| H7 | N11 | H8 | 109.5° | 111.0° |
| H10 | C17 | H11 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | C18 | O20 | C17 | 179.4° | 180.0° |
| O19 | C18 | C17 | C10 | 2.3° | 0.0° |
| O19 | C18 | C17 | H10 | 119.1° | 120.0° |
| O19 | C18 | C17 | H11 | 123.6° | 119.9° |
| O19 | C18 | O20 | H12 | 0.0° | 0.1° |
| O20 | C18 | C17 | C10 | 178.3° | 180.0° |
| O20 | C18 | C17 | H10 | 60.3° | 60.1° |
| O20 | C18 | C17 | H11 | 57.0° | 60.0° |
| C18 | C17 | C10 | N11 | 92.9° | 65.0° |
| C18 | C17 | C10 | H10 | 121.4° | 120.0° |
| C18 | C17 | C10 | H11 | 121.3° | 120.0° |
| C18 | C17 | C10 | C9 | 147.8° | 175.0° |
| C18 | C17 | C10 | H6 | 28.9° | 55.0° |
| C18 | C17 | H10 | H11 | 115.8° | 120.1° |
| C17 | C18 | O20 | H12 | 179.4° | 180.0° |
| N11 | C10 | C17 | C9 | 119.2° | 120.0° |
| N11 | C10 | C17 | H6 | 121.9° | 120.1° |
| N11 | C10 | C9 | H6 | 119.0° | 120.0° |
| N11 | C10 | C9 | O12 | 27.9° | 20.1° |
| N11 | C10 | C9 | N8 | 152.8° | 160.0° |
| C10 | N11 | H7 | H8 | 120.0° | 124.0° |
| N11 | C10 | C17 | H10 | 28.4° | 175.0° |
| N11 | C10 | C17 | H11 | 145.7° | 54.9° |
| C17 | C10 | C9 | H6 | 118.7° | 120.0° |
| C17 | C10 | C9 | O12 | 94.4° | 99.9° |
| C17 | C10 | C9 | N8 | 84.9° | 80.0° |
| C17 | C10 | N11 | H7 | 180.0° | 64.0° |
| C17 | C10 | N11 | H8 | 60.0° | 60.0° |
| C10 | C17 | H10 | H11 | 115.7° | 120.0° |
| C10 | C9 | O12 | N8 | 179.3° | 179.9° |
| C10 | C9 | N8 | C4 | 179.6° | 174.7° |
| C10 | C9 | N8 | H5 | 0.4° | 5.3° |
| C9 | C10 | N11 | H7 | 60.3° | 176.0° |
| C9 | C10 | N11 | H8 | 179.7° | 60.0° |
| C9 | C10 | C17 | H10 | 90.8° | 55.0° |
| C9 | C10 | C17 | H11 | 26.5° | 65.1° |
| O12 | C9 | N8 | C4 | 1.1° | 5.3° |
| O12 | C9 | N8 | H5 | 178.9° | 174.8° |
| O12 | C9 | C10 | H6 | 146.9° | 140.0° |
| C9 | N8 | C4 | H5 | 180.0° | 179.9° |
| C9 | N8 | C4 | C3 | 175.8° | 33.3° |
| C9 | N8 | C4 | C5 | 2.5° | 146.7° |
| N8 | C9 | C10 | H6 | 33.8° | 40.0° |
| N8 | C4 | C3 | C5 | 178.4° | 180.0° |
| N8 | C4 | C3 | C2 | 178.5° | 180.0° |
| N8 | C4 | C5 | C6 | 179.1° | 179.7° |
| N8 | C4 | C3 | H2 | 1.5° | 0.0° |
| N8 | C4 | C5 | H3 | 0.9° | 0.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.8° | 0.3° |
| C4 | C3 | C2 | O7 | 177.6° | 180.0° |
| C4 | C3 | C2 | C1 | 2.0° | 0.0° |
| C3 | C4 | C5 | H3 | 179.2° | 180.0° |
| C3 | C4 | N8 | H5 | 4.2° | 146.7° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C4 | C5 | C6 | H3 | 180.0° | 179.7° |
| C4 | C5 | C6 | C1 | 0.5° | 0.6° |
| C5 | C4 | C3 | H2 | 179.9° | 180.0° |
| C4 | C5 | C6 | H4 | 179.5° | 180.0° |
| C5 | C4 | N8 | H5 | 177.5° | 33.4° |
| C3 | C2 | O7 | C1 | 175.8° | 180.0° |
| C3 | C2 | C1 | C6 | 3.2° | 0.3° |
| C3 | C2 | O7 | C | 102.4° | 180.0° |
| C3 | C2 | C1 | H1 | 176.8° | 179.9° |
| C5 | C6 | C1 | C2 | 2.5° | 0.6° |
| C5 | C6 | C1 | H4 | 180.0° | 179.4° |
| C5 | C6 | C1 | H1 | 177.5° | 179.7° |
| C2 | O7 | C | F16 | 111.5° | 60.0° |
| O7 | C2 | C1 | C6 | 179.0° | 179.7° |
| C2 | O7 | C | F13 | 12.6° | 60.0° |
| C2 | O7 | C | F14 | 132.6° | 180.0° |
| O7 | C2 | C1 | H1 | 1.0° | 0.1° |
| O7 | C2 | C3 | H2 | 2.4° | 0.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | O7 | C | 81.8° | 0.0° |
| C1 | C2 | C3 | H2 | 178.0° | 180.0° |
| C2 | C1 | C6 | H4 | 177.5° | 180.0° |
| F16 | C | O7 | F13 | 124.1° | 120.0° |
| F16 | C | O7 | F14 | 116.0° | 120.0° |
| F16 | C | F13 | F14 | 120.3° | 120.0° |
| C1 | C6 | C5 | H3 | 179.5° | 179.7° |
| O7 | C | F13 | F14 | 121.4° | 120.0° |
| H1 | C1 | C6 | H4 | 2.5° | 0.3° |
| H3 | C5 | C6 | H4 | 0.5° | 0.3° |
| H6 | C10 | N11 | H7 | 58.5° | 56.1° |
| H6 | C10 | N11 | H8 | 61.5° | 179.9° |
| H6 | C10 | C17 | H10 | 150.3° | 65.0° |
| H6 | C10 | C17 | H11 | 92.4° | 175.0° |
