FHM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | F19 | sing | 1.35Å | 1.35Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C16 | O14 | sing | 1.36Å | 1.36Å | |
| O14 | C13 | sing | 1.43Å | 1.44Å | |
| C13 | C11 | sing | 1.53Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C11 | O11 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C12 | H123 | sing | 1.09Å | 1.12Å | |
| C10 | O10 | doub | 1.21Å | 1.23Å | |
| C10 | N9 | sing | 1.35Å | 1.33Å | |
| N9 | C6 | sing | 1.40Å | 1.33Å | |
| N9 | HN9 | sing | 0.97Å | 1.02Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | N8 | sing | 1.48Å | 1.33Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| N8 | O2 | doub | 1.22Å | 1.42Å | |
| N8 | O1 | sing | 1.22Å | 1.42Å | |
| C4 | C7 | sing | 1.51Å | 1.54Å | |
| C7 | F2 | sing | 1.40Å | 1.33Å | |
| C7 | F3 | sing | 1.40Å | 1.33Å | |
| C7 | F1 | sing | 1.40Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C16 | 120.3° | 120.0° |
| C18 | C17 | H17 | 119.8° | 120.0° |
| C17 | C18 | C19 | 120.1° | 120.0° |
| C17 | C18 | H18 | 119.9° | 120.0° |
| C16 | C17 | H17 | 119.9° | 120.1° |
| C17 | C16 | C21 | 119.3° | 120.0° |
| C17 | C16 | O14 | 122.5° | 120.1° |
| C19 | C18 | H18 | 119.9° | 120.0° |
| C18 | C19 | F19 | 120.2° | 120.0° |
| C18 | C19 | C20 | 119.8° | 120.0° |
| F19 | C19 | C20 | 120.0° | 120.0° |
| C19 | C20 | C21 | 119.8° | 120.1° |
| C19 | C20 | H20 | 120.1° | 120.0° |
| C21 | C20 | H20 | 120.1° | 120.0° |
| C20 | C21 | C16 | 120.6° | 119.9° |
| C20 | C21 | H21 | 119.7° | 120.0° |
| C16 | C21 | H21 | 119.6° | 120.0° |
| C21 | C16 | O14 | 118.2° | 120.0° |
| C16 | O14 | C13 | 114.9° | 106.9° |
| O14 | C13 | C11 | 108.4° | 109.5° |
| O14 | C13 | H131 | 112.6° | 109.4° |
| O14 | C13 | H132 | 112.6° | 109.5° |
| C11 | C13 | H131 | 112.6° | 109.5° |
| C11 | C13 | H132 | 112.6° | 109.5° |
| C13 | C11 | O11 | 108.8° | 109.5° |
| C13 | C11 | C12 | 109.5° | 109.5° |
| C13 | C11 | C10 | 108.7° | 109.5° |
| H131 | C13 | H132 | 97.9° | 109.5° |
| O11 | C11 | C12 | 110.3° | 109.5° |
| O11 | C11 | C10 | 109.3° | 109.5° |
| C11 | O11 | H11 | 108.8° | 106.8° |
| C12 | C11 | C10 | 110.2° | 109.5° |
| C11 | C12 | H121 | 109.5° | 109.5° |
| C11 | C12 | H122 | 112.2° | 109.5° |
| C11 | C12 | H123 | 112.2° | 109.4° |
| C11 | C10 | O10 | 120.5° | 120.0° |
| C11 | C10 | N9 | 114.4° | 120.0° |
| H121 | C12 | H122 | 112.2° | 109.5° |
| H121 | C12 | H123 | 112.2° | 109.5° |
| H122 | C12 | H123 | 98.2° | 109.5° |
| O10 | C10 | N9 | 125.1° | 120.0° |
| C10 | N9 | C6 | 126.4° | 120.0° |
| C10 | N9 | HN9 | 116.8° | 120.0° |
| C6 | N9 | HN9 | 116.8° | 120.0° |
| N9 | C6 | C5 | 123.4° | 120.1° |
| N9 | C6 | C1 | 117.9° | 120.1° |
| C5 | C6 | C1 | 118.5° | 119.9° |
| C6 | C5 | C4 | 122.6° | 119.9° |
| C6 | C5 | H5 | 118.5° | 120.0° |
| C6 | C1 | C2 | 119.7° | 120.0° |
| C6 | C1 | H1 | 120.2° | 120.0° |
| C4 | C5 | H5 | 118.8° | 120.1° |
| C5 | C4 | C3 | 117.9° | 120.1° |
| C5 | C4 | C7 | 119.0° | 120.0° |
| C2 | C1 | H1 | 120.1° | 120.0° |
| C1 | C2 | C3 | 121.3° | 120.0° |
| C1 | C2 | H2 | 119.3° | 120.0° |
| C3 | C2 | H2 | 119.4° | 119.9° |
| C2 | C3 | N8 | 116.2° | 119.9° |
| C2 | C3 | C4 | 119.8° | 120.2° |
| N8 | C3 | C4 | 123.9° | 119.9° |
| C3 | N8 | O2 | 123.2° | 120.0° |
| C3 | N8 | O1 | 119.6° | 120.0° |
| C3 | C4 | C7 | 123.0° | 120.0° |
| O2 | N8 | O1 | 117.0° | 120.0° |
| C4 | C7 | F2 | 110.2° | 109.5° |
| C4 | C7 | F3 | 113.0° | 109.5° |
| C4 | C7 | F1 | 112.2° | 109.5° |
| F2 | C7 | F3 | 108.6° | 109.4° |
| F2 | C7 | F1 | 107.3° | 109.5° |
| F3 | C7 | F1 | 105.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | H17 | 180.0° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | F19 | 179.4° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | C17 | C16 | C21 | 0.0° | 0.2° |
| C18 | C17 | C16 | O14 | 179.4° | 180.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.0° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C17 | C16 | C21 | C20 | 0.0° | 0.4° |
| C17 | C16 | C21 | O14 | 179.4° | 179.8° |
| C17 | C16 | C21 | H21 | 179.9° | 179.9° |
| C17 | C16 | O14 | C13 | 33.2° | 180.0° |
| H17 | C17 | C18 | C19 | 180.0° | 180.0° |
| H17 | C17 | C18 | H18 | 0.0° | 0.0° |
| H17 | C17 | C16 | C21 | 179.9° | 179.8° |
| H17 | C17 | C16 | O14 | 0.6° | 0.0° |
| C18 | C19 | F19 | C20 | 179.5° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.2° |
| C18 | C19 | C20 | H20 | 179.8° | 180.0° |
| H18 | C18 | C19 | F19 | 0.6° | 0.1° |
| H18 | C18 | C19 | C20 | 179.9° | 180.0° |
| F19 | C19 | C20 | C21 | 179.4° | 179.8° |
| F19 | C19 | C20 | H20 | 0.6° | 0.0° |
| C19 | C20 | C21 | H20 | 179.9° | 179.8° |
| C19 | C20 | C21 | C16 | 0.0° | 0.4° |
| C19 | C20 | C21 | H21 | 180.0° | 179.9° |
| C20 | C21 | C16 | H21 | 180.0° | 179.6° |
| C20 | C21 | C16 | O14 | 179.4° | 179.8° |
| H20 | C20 | C21 | C16 | 179.9° | 179.8° |
| H20 | C20 | C21 | H21 | 0.1° | 0.2° |
| C21 | C16 | O14 | C13 | 147.4° | 0.2° |
| H21 | C21 | C16 | O14 | 0.6° | 0.1° |
| C16 | O14 | C13 | C11 | 161.1° | 180.0° |
| C16 | O14 | C13 | H131 | 73.7° | 60.0° |
| C16 | O14 | C13 | H132 | 35.8° | 60.0° |
| O14 | C13 | C11 | H131 | 125.3° | 120.0° |
| O14 | C13 | C11 | H132 | 125.3° | 120.0° |
| O14 | C13 | H131 | H132 | 118.6° | 120.0° |
| O14 | C13 | C11 | O11 | 59.4° | 60.0° |
| O14 | C13 | C11 | C12 | 180.0° | 60.0° |
| O14 | C13 | C11 | C10 | 59.6° | 180.0° |
| C11 | C13 | H131 | H132 | 118.5° | 120.0° |
| C13 | C11 | O11 | C12 | 120.1° | 120.0° |
| C13 | C11 | O11 | C10 | 118.6° | 120.0° |
| C13 | C11 | C12 | C10 | 119.5° | 120.0° |
| C13 | C11 | O11 | H11 | 180.0° | 60.0° |
| C13 | C11 | C12 | H121 | 180.0° | 60.0° |
| C13 | C11 | C12 | H122 | 54.8° | 60.0° |
| C13 | C11 | C12 | H123 | 54.7° | 180.0° |
| C13 | C11 | C10 | O10 | 67.4° | 25.0° |
| C13 | C11 | C10 | N9 | 112.9° | 155.0° |
| H131 | C13 | C11 | O11 | 65.9° | 60.0° |
| H131 | C13 | C11 | C12 | 54.7° | 180.0° |
| H131 | C13 | C11 | C10 | 175.1° | 60.0° |
| H132 | C13 | C11 | O11 | 175.4° | 180.0° |
| H132 | C13 | C11 | C12 | 54.8° | 60.0° |
| H132 | C13 | C11 | C10 | 65.7° | 60.0° |
| O11 | C11 | C12 | C10 | 120.7° | 120.0° |
| O11 | C11 | C12 | H121 | 60.3° | 60.0° |
| O11 | C11 | C12 | H122 | 65.0° | 180.0° |
| O11 | C11 | C12 | H123 | 174.5° | 60.0° |
| O11 | C11 | C10 | O10 | 173.9° | 145.0° |
| O11 | C11 | C10 | N9 | 5.8° | 35.0° |
| C12 | C11 | O11 | H11 | 59.8° | 180.0° |
| C11 | C12 | H121 | H122 | 125.3° | 120.0° |
| C11 | C12 | H121 | H123 | 125.2° | 120.0° |
| C11 | C12 | H122 | H123 | 118.1° | 119.9° |
| C12 | C11 | C10 | O10 | 52.6° | 95.0° |
| C12 | C11 | C10 | N9 | 127.1° | 85.0° |
| C10 | C11 | O11 | H11 | 61.4° | 60.0° |
| C10 | C11 | C12 | H121 | 60.4° | 180.0° |
| C10 | C11 | C12 | H122 | 174.3° | 60.0° |
| C10 | C11 | C12 | H123 | 64.8° | 60.0° |
| C11 | C10 | O10 | N9 | 179.6° | 180.0° |
| C11 | C10 | N9 | C6 | 178.9° | 174.5° |
| C11 | C10 | N9 | HN9 | 1.1° | 5.5° |
| H121 | C12 | H122 | H123 | 118.1° | 120.1° |
| O10 | C10 | N9 | C6 | 1.4° | 5.5° |
| O10 | C10 | N9 | HN9 | 178.6° | 174.5° |
| C10 | N9 | C6 | HN9 | 180.0° | 179.9° |
| C10 | N9 | C6 | C5 | 4.8° | 146.4° |
| C10 | N9 | C6 | C1 | 179.4° | 33.3° |
| N9 | C6 | C5 | C1 | 175.8° | 179.7° |
| N9 | C6 | C5 | C4 | 175.0° | 179.8° |
| N9 | C6 | C5 | H5 | 5.0° | 0.2° |
| N9 | C6 | C1 | C2 | 175.3° | 180.0° |
| N9 | C6 | C1 | H1 | 4.7° | 0.1° |
| HN9 | N9 | C6 | C5 | 175.3° | 33.6° |
| HN9 | N9 | C6 | C1 | 0.5° | 146.7° |
| C6 | C5 | C4 | H5 | 180.0° | 179.5° |
| C5 | C6 | C1 | C2 | 0.7° | 0.3° |
| C5 | C6 | C1 | H1 | 179.3° | 179.8° |
| C6 | C5 | C4 | C3 | 0.1° | 0.5° |
| C6 | C5 | C4 | C7 | 179.5° | 179.7° |
| C1 | C6 | C5 | C4 | 0.7° | 0.5° |
| C1 | C6 | C5 | H5 | 179.3° | 179.9° |
| C6 | C1 | C2 | H1 | 180.0° | 179.9° |
| C6 | C1 | C2 | C3 | 0.2° | 0.0° |
| C6 | C1 | C2 | H2 | 179.7° | 179.9° |
| C5 | C4 | C3 | C2 | 1.1° | 0.3° |
| C5 | C4 | C3 | N8 | 177.3° | 179.8° |
| C5 | C4 | C3 | C7 | 179.6° | 179.7° |
| C5 | C4 | C7 | F2 | 106.1° | 0.3° |
| C5 | C4 | C7 | F3 | 132.2° | 120.2° |
| C5 | C4 | C7 | F1 | 13.3° | 119.8° |
| H5 | C5 | C4 | C3 | 179.9° | 179.9° |
| H5 | C5 | C4 | C7 | 0.5° | 0.2° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | N8 | 177.4° | 179.9° |
| C1 | C2 | C3 | C4 | 1.1° | 0.0° |
| H1 | C1 | C2 | C3 | 179.8° | 180.0° |
| H1 | C1 | C2 | H2 | 0.3° | 0.0° |
| C2 | C3 | N8 | C4 | 178.4° | 179.9° |
| C2 | C3 | N8 | O2 | 173.4° | 0.1° |
| C2 | C3 | N8 | O1 | 1.7° | 180.0° |
| C2 | C3 | C4 | C7 | 178.5° | 180.0° |
| H2 | C2 | C3 | N8 | 2.6° | 0.0° |
| H2 | C2 | C3 | C4 | 178.9° | 179.9° |
| C3 | N8 | O2 | O1 | 175.2° | 179.9° |
| N8 | C3 | C4 | C7 | 3.1° | 0.1° |
| C4 | C3 | N8 | O2 | 5.1° | 180.0° |
| C4 | C3 | N8 | O1 | 179.9° | 0.1° |
| C3 | C4 | C7 | F2 | 74.3° | 180.0° |
| C3 | C4 | C7 | F3 | 47.4° | 60.1° |
| C3 | C4 | C7 | F1 | 166.2° | 60.0° |
| C4 | C7 | F2 | F3 | 124.2° | 120.0° |
| C4 | C7 | F2 | F1 | 122.4° | 120.0° |
| C4 | C7 | F3 | F1 | 122.8° | 120.0° |
| F2 | C7 | F3 | F1 | 114.7° | 120.0° |
