GIA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | F1 | sing | 1.35Å | 1.35Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| N12 | C8 | sing | 1.47Å | 1.46Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| O11 | C9 | doub | 1.21Å | 1.35Å | |
| C9 | O10 | sing | 1.34Å | 1.19Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| C13 | N12 | sing | 1.35Å | 1.37Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| C15 | C13 | sing | 1.48Å | 1.48Å | |
| C13 | O14 | doub | 1.22Å | 1.22Å | |
| C20 | C15 | doub | 1.41Å | 1.42Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.42Å | 1.43Å | Aromatic |
| C24 | C18 | sing | 1.40Å | 1.41Å | Aromatic |
| C18 | C19 | doub | 1.41Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.36Å | 1.37Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | doub | 1.36Å | 1.37Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | doub | 1.36Å | 1.36Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | C2 | 112.0° | 120.0° |
| F1 | C1 | C6 | 126.4° | 120.0° |
| C2 | C1 | C6 | 121.5° | 120.0° |
| C1 | C2 | C3 | 116.3° | 120.0° |
| C1 | C2 | H2 | 121.8° | 120.0° |
| C1 | C6 | C5 | 122.8° | 120.0° |
| C1 | C6 | H6 | 118.6° | 120.0° |
| C3 | C2 | H2 | 121.8° | 120.0° |
| C2 | C3 | C4 | 120.9° | 120.0° |
| C2 | C3 | H3 | 119.6° | 120.0° |
| C4 | C3 | H3 | 119.6° | 120.0° |
| C3 | C4 | C5 | 124.9° | 120.0° |
| C3 | C4 | H4 | 117.6° | 120.0° |
| C5 | C4 | H4 | 117.5° | 120.0° |
| C4 | C5 | C6 | 113.5° | 120.1° |
| C4 | C5 | C7 | 122.6° | 120.0° |
| C6 | C5 | C7 | 123.8° | 120.0° |
| C5 | C6 | H6 | 118.6° | 120.0° |
| C5 | C7 | C8 | 115.5° | 109.5° |
| C5 | C7 | H7 | 107.5° | 109.5° |
| C5 | C7 | H7A | 106.1° | 109.5° |
| C8 | C7 | H7 | 107.5° | 109.5° |
| C8 | C7 | H7A | 106.1° | 109.5° |
| C7 | C8 | N12 | 107.0° | 109.5° |
| C7 | C8 | C9 | 110.0° | 109.5° |
| C7 | C8 | H8 | 109.6° | 109.5° |
| H7 | C7 | H7A | 114.4° | 109.5° |
| N12 | C8 | C9 | 105.8° | 109.5° |
| N12 | C8 | H8 | 113.6° | 109.5° |
| C8 | N12 | C13 | 115.1° | 120.0° |
| C8 | N12 | HN12 | 122.5° | 120.0° |
| C9 | C8 | H8 | 110.7° | 109.4° |
| C8 | C9 | O11 | 119.8° | 120.0° |
| C8 | C9 | O10 | 117.9° | 120.0° |
| O11 | C9 | O10 | 122.3° | 120.0° |
| C9 | O10 | HO10 | 109.5° | 117.0° |
| C13 | N12 | HN12 | 122.4° | 120.0° |
| N12 | C13 | C15 | 116.3° | 120.0° |
| N12 | C13 | O14 | 118.0° | 120.0° |
| C15 | C13 | O14 | 125.5° | 120.0° |
| C13 | C15 | C20 | 116.5° | 119.7° |
| C13 | C15 | C16 | 124.5° | 119.8° |
| C20 | C15 | C16 | 118.7° | 120.5° |
| C15 | C20 | C19 | 121.4° | 120.8° |
| C15 | C20 | H20 | 119.3° | 119.6° |
| C15 | C16 | C17 | 120.7° | 119.5° |
| C15 | C16 | H16 | 119.7° | 120.3° |
| C17 | C16 | H16 | 119.7° | 120.3° |
| C16 | C17 | C21 | 122.2° | 121.2° |
| C16 | C17 | C18 | 120.2° | 119.5° |
| C21 | C17 | C18 | 117.4° | 119.3° |
| C17 | C21 | C22 | 121.5° | 119.7° |
| C17 | C21 | H21 | 119.3° | 120.1° |
| C17 | C18 | C24 | 119.4° | 119.3° |
| C17 | C18 | C19 | 118.2° | 119.7° |
| C24 | C18 | C19 | 121.9° | 121.1° |
| C18 | C24 | C23 | 120.3° | 119.8° |
| C18 | C24 | H24 | 119.9° | 120.1° |
| C18 | C19 | C20 | 120.3° | 120.1° |
| C18 | C19 | H19 | 119.8° | 120.0° |
| C20 | C19 | H19 | 119.8° | 119.9° |
| C19 | C20 | H20 | 119.3° | 119.6° |
| C22 | C21 | H21 | 119.2° | 120.2° |
| C21 | C22 | C23 | 119.8° | 121.0° |
| C21 | C22 | H22 | 120.1° | 119.5° |
| C23 | C22 | H22 | 120.1° | 119.5° |
| C22 | C23 | C24 | 121.1° | 121.0° |
| C22 | C23 | H23 | 119.4° | 119.5° |
| C24 | C23 | H23 | 119.5° | 119.6° |
| C23 | C24 | H24 | 119.8° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | C2 | C6 | 176.9° | 179.7° |
| F1 | C1 | C2 | C3 | 173.6° | 180.0° |
| F1 | C1 | C2 | H2 | 6.4° | 0.1° |
| F1 | C1 | C6 | C5 | 172.8° | 179.7° |
| F1 | C1 | C6 | H6 | 7.2° | 0.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 2.6° | 0.0° |
| C1 | C2 | C3 | H3 | 177.4° | 180.0° |
| C2 | C1 | C6 | C5 | 3.7° | 0.6° |
| C2 | C1 | C6 | H6 | 176.3° | 179.7° |
| C6 | C1 | C2 | C3 | 3.4° | 0.3° |
| C6 | C1 | C2 | H2 | 176.6° | 179.8° |
| C1 | C6 | C5 | C4 | 2.8° | 0.6° |
| C1 | C6 | C5 | H6 | 180.0° | 179.7° |
| C1 | C6 | C5 | C7 | 179.8° | 179.7° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 2.1° | 0.0° |
| C2 | C3 | C4 | H4 | 177.9° | 180.0° |
| H2 | C2 | C3 | C4 | 177.4° | 179.9° |
| H2 | C2 | C3 | H3 | 2.6° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 2.0° | 0.3° |
| C3 | C4 | C5 | C7 | 179.1° | 180.0° |
| H3 | C3 | C4 | C5 | 177.9° | 180.0° |
| H3 | C3 | C4 | H4 | 2.1° | 0.0° |
| C4 | C5 | C6 | C7 | 177.0° | 179.7° |
| C4 | C5 | C6 | H6 | 177.2° | 179.7° |
| C4 | C5 | C7 | C8 | 74.7° | 90.0° |
| C4 | C5 | C7 | H7 | 45.3° | 150.0° |
| C4 | C5 | C7 | H7A | 168.1° | 30.0° |
| H4 | C4 | C5 | C6 | 177.9° | 179.7° |
| H4 | C4 | C5 | C7 | 0.9° | 0.0° |
| C6 | C5 | C7 | C8 | 102.0° | 89.7° |
| C6 | C5 | C7 | H7 | 138.0° | 30.3° |
| C6 | C5 | C7 | H7A | 15.2° | 150.3° |
| C7 | C5 | C6 | H6 | 0.2° | 0.0° |
| C5 | C7 | C8 | H7 | 120.0° | 120.0° |
| C5 | C7 | C8 | H7A | 117.3° | 120.0° |
| C5 | C7 | H7 | H7A | 117.5° | 120.0° |
| C5 | C7 | C8 | N12 | 59.1° | 65.0° |
| C5 | C7 | C8 | C9 | 173.5° | 175.0° |
| C5 | C7 | C8 | H8 | 64.5° | 55.0° |
| C8 | C7 | H7 | H7A | 117.5° | 120.0° |
| C7 | C8 | N12 | C9 | 117.3° | 120.0° |
| C7 | C8 | N12 | H8 | 121.1° | 120.1° |
| C7 | C8 | C9 | H8 | 121.3° | 120.0° |
| C7 | C8 | C9 | O11 | 109.3° | 120.0° |
| C7 | C8 | C9 | O10 | 70.6° | 60.0° |
| C7 | C8 | N12 | C13 | 111.1° | 155.0° |
| C7 | C8 | N12 | HN12 | 68.9° | 25.0° |
| H7 | C7 | C8 | N12 | 60.9° | 55.0° |
| H7 | C7 | C8 | C9 | 53.6° | 65.0° |
| H7 | C7 | C8 | H8 | 175.5° | 175.0° |
| H7A | C7 | C8 | N12 | 176.4° | 175.0° |
| H7A | C7 | C8 | C9 | 69.2° | 55.0° |
| H7A | C7 | C8 | H8 | 52.8° | 65.0° |
| N12 | C8 | C9 | H8 | 123.5° | 119.9° |
| N12 | C8 | C9 | O11 | 5.9° | 0.0° |
| N12 | C8 | C9 | O10 | 174.2° | 180.0° |
| C8 | N12 | C13 | HN12 | 180.0° | 180.0° |
| C8 | N12 | C13 | C15 | 174.1° | 180.0° |
| C8 | N12 | C13 | O14 | 2.2° | 0.0° |
| C8 | C9 | O11 | O10 | 179.9° | 180.0° |
| C8 | C9 | O10 | HO10 | 179.9° | 180.0° |
| C9 | C8 | N12 | C13 | 131.6° | 85.0° |
| C9 | C8 | N12 | HN12 | 48.4° | 95.0° |
| H8 | C8 | C9 | O11 | 129.4° | 120.0° |
| H8 | C8 | C9 | O10 | 50.7° | 60.0° |
| H8 | C8 | N12 | C13 | 10.0° | 35.0° |
| H8 | C8 | N12 | HN12 | 170.0° | 145.1° |
| O11 | C9 | O10 | HO10 | 0.0° | 0.0° |
| N12 | C13 | C15 | O14 | 176.0° | 180.0° |
| N12 | C13 | C15 | C20 | 138.1° | 0.3° |
| N12 | C13 | C15 | C16 | 34.7° | 180.0° |
| HN12 | N12 | C13 | C15 | 5.9° | 0.0° |
| HN12 | N12 | C13 | O14 | 177.8° | 180.0° |
| C13 | C15 | C20 | C16 | 173.3° | 179.7° |
| C13 | C15 | C16 | C17 | 174.0° | 180.0° |
| C13 | C15 | C16 | H16 | 6.1° | 0.1° |
| C13 | C15 | C20 | C19 | 179.8° | 179.7° |
| C13 | C15 | C20 | H20 | 0.2° | 0.3° |
| O14 | C13 | C15 | C20 | 37.9° | 179.7° |
| O14 | C13 | C15 | C16 | 149.3° | 0.0° |
| C20 | C15 | C16 | C17 | 1.3° | 0.3° |
| C20 | C15 | C16 | H16 | 178.7° | 179.7° |
| C15 | C20 | C19 | C18 | 6.7° | 0.6° |
| C15 | C20 | C19 | H20 | 180.0° | 179.4° |
| C15 | C20 | C19 | H19 | 173.3° | 179.7° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C21 | 178.9° | 180.0° |
| C15 | C16 | C17 | C18 | 4.5° | 0.0° |
| C16 | C15 | C20 | C19 | 7.0° | 0.6° |
| C16 | C15 | C20 | H20 | 173.0° | 180.0° |
| C16 | C17 | C21 | C18 | 174.6° | 180.0° |
| C16 | C17 | C18 | C24 | 177.3° | 180.0° |
| C16 | C17 | C18 | C19 | 4.7° | 0.0° |
| C16 | C17 | C21 | C22 | 179.2° | 180.0° |
| C16 | C17 | C21 | H21 | 0.7° | 0.1° |
| H16 | C16 | C17 | C21 | 1.1° | 0.1° |
| H16 | C16 | C17 | C18 | 175.5° | 180.0° |
| C21 | C17 | C18 | C24 | 8.0° | 0.0° |
| C21 | C17 | C18 | C19 | 179.4° | 180.0° |
| C17 | C21 | C22 | H21 | 180.0° | 179.9° |
| C17 | C21 | C22 | C23 | 0.6° | 0.0° |
| C17 | C21 | C22 | H22 | 179.5° | 179.9° |
| C17 | C18 | C24 | C19 | 172.3° | 180.0° |
| C17 | C18 | C19 | C20 | 0.8° | 0.3° |
| C17 | C18 | C19 | H19 | 179.2° | 180.0° |
| C18 | C17 | C21 | C22 | 4.7° | 0.0° |
| C18 | C17 | C21 | H21 | 175.3° | 180.0° |
| C17 | C18 | C24 | C23 | 6.4° | 0.0° |
| C17 | C18 | C24 | H24 | 173.6° | 180.0° |
| C24 | C18 | C19 | C20 | 171.6° | 179.7° |
| C24 | C18 | C19 | H19 | 8.4° | 0.0° |
| C18 | C24 | C23 | C22 | 1.0° | 0.0° |
| C18 | C24 | C23 | H24 | 180.0° | 179.9° |
| C18 | C24 | C23 | H23 | 179.0° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.7° |
| C18 | C19 | C20 | H20 | 173.3° | 180.0° |
| C19 | C18 | C24 | C23 | 178.7° | 180.0° |
| C19 | C18 | C24 | H24 | 1.3° | 0.0° |
| H19 | C19 | C20 | H20 | 6.7° | 0.3° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 2.5° | 0.0° |
| C21 | C22 | C23 | H23 | 177.5° | 180.0° |
| H21 | C21 | C22 | C23 | 179.5° | 179.9° |
| H21 | C21 | C22 | H22 | 0.5° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | H24 | 179.0° | 180.0° |
| H22 | C22 | C23 | C24 | 177.5° | 179.9° |
| H22 | C22 | C23 | H23 | 2.5° | 0.1° |
| H23 | C23 | C24 | H24 | 1.0° | 0.0° |
