F4C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C8 | sing | 1.40Å | 1.41Å | |
| N1 | C2 | sing | 1.35Å | 1.35Å | |
| N1 | N2 | sing | 1.28Å | 1.39Å | |
| N3 | C6 | sing | 1.35Å | 1.34Å | |
| N3 | C11 | sing | 1.47Å | 1.43Å | |
| C4 | C10 | sing | 1.48Å | 1.49Å | |
| C4 | N2 | doub | 1.31Å | 1.32Å | |
| C4 | C3 | sing | 1.41Å | 1.41Å | |
| C5 | C7 | sing | 1.51Å | 1.50Å | |
| C5 | F1 | sing | 1.40Å | 1.33Å | |
| C5 | F2 | sing | 1.40Å | 1.33Å | |
| C5 | F3 | sing | 1.40Å | 1.33Å | |
| C6 | C1 | sing | 1.47Å | 1.51Å | |
| C6 | O2 | doub | 1.22Å | 1.24Å | |
| C7 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| F4 | C14 | sing | 1.35Å | 1.34Å | |
| C14 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | O1 | doub | 1.22Å | 1.26Å | |
| C2 | C1 | sing | 1.42Å | 1.40Å | |
| C18 | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| C19 | N4 | sing | 1.32Å | 1.36Å | Aromatic |
| C3 | C1 | doub | 1.39Å | 1.41Å | |
| C11 | C9 | sing | 1.51Å | 1.52Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N1 | C2 | 128.6° | 119.0° |
| C8 | N1 | N2 | 110.3° | 118.9° |
| N1 | C8 | C13 | 115.7° | 120.0° |
| N1 | C8 | C12 | 123.0° | 120.0° |
| C2 | N1 | N2 | 121.1° | 122.1° |
| N1 | C2 | O1 | 121.7° | 120.4° |
| N1 | C2 | C1 | 118.1° | 119.3° |
| N1 | N2 | C4 | 122.8° | 122.8° |
| C6 | N3 | C11 | 124.6° | 120.0° |
| N3 | C6 | C1 | 117.5° | 120.0° |
| N3 | C6 | O2 | 122.3° | 120.0° |
| C6 | N3 | HN3 | 117.7° | 120.0° |
| N3 | C11 | C9 | 112.7° | 109.4° |
| C11 | N3 | HN3 | 117.7° | 120.1° |
| N3 | C11 | H11 | 108.4° | 109.4° |
| N3 | C11 | H11A | 108.4° | 109.5° |
| C10 | C4 | N2 | 116.2° | 119.8° |
| C10 | C4 | C3 | 125.7° | 119.8° |
| C4 | C10 | C20 | 119.9° | 120.9° |
| C4 | C10 | C21 | 120.8° | 120.9° |
| N2 | C4 | C3 | 118.1° | 120.3° |
| C4 | C3 | C1 | 119.9° | 117.9° |
| C4 | C3 | H3 | 120.0° | 121.0° |
| C7 | C5 | F1 | 108.1° | 109.5° |
| C7 | C5 | F2 | 110.2° | 109.5° |
| C7 | C5 | F3 | 108.6° | 109.5° |
| C5 | C7 | C17 | 118.1° | 120.0° |
| C5 | C7 | C9 | 119.7° | 120.0° |
| F1 | C5 | F2 | 111.3° | 109.5° |
| F1 | C5 | F3 | 109.8° | 109.4° |
| F2 | C5 | F3 | 108.9° | 109.5° |
| C1 | C6 | O2 | 120.1° | 120.1° |
| C6 | C1 | C2 | 120.7° | 121.3° |
| C6 | C1 | C3 | 119.3° | 121.2° |
| C17 | C7 | C9 | 122.2° | 120.0° |
| C7 | C17 | C23 | 118.1° | 120.0° |
| C7 | C17 | H17 | 121.0° | 120.0° |
| C7 | C9 | C22 | 119.6° | 120.0° |
| C7 | C9 | C11 | 118.7° | 120.0° |
| C13 | C8 | C12 | 121.0° | 120.0° |
| C8 | C13 | C15 | 119.9° | 119.9° |
| C8 | C13 | H13 | 120.1° | 120.0° |
| C8 | C12 | C16 | 119.0° | 119.9° |
| C8 | C12 | H12 | 120.5° | 120.1° |
| C20 | C10 | C21 | 119.2° | 118.2° |
| C10 | C20 | C18 | 119.8° | 119.0° |
| C10 | C20 | H20 | 120.1° | 120.4° |
| C10 | C21 | C19 | 118.8° | 119.0° |
| C10 | C21 | H21 | 120.6° | 120.5° |
| C13 | C15 | C14 | 119.4° | 120.1° |
| C15 | C13 | H13 | 120.1° | 120.1° |
| C13 | C15 | H15 | 120.3° | 119.9° |
| C15 | C14 | F4 | 118.3° | 119.9° |
| C15 | C14 | C16 | 121.3° | 120.1° |
| C14 | C15 | H15 | 120.3° | 120.0° |
| C17 | C23 | C24 | 120.4° | 119.9° |
| C23 | C17 | H17 | 121.0° | 120.0° |
| C17 | C23 | H23 | 119.8° | 120.0° |
| C20 | C18 | N4 | 120.1° | 120.9° |
| C18 | C20 | H20 | 120.1° | 120.5° |
| C20 | C18 | H18 | 119.9° | 119.5° |
| C21 | C19 | N4 | 120.4° | 120.9° |
| C19 | C21 | H21 | 120.6° | 120.5° |
| C21 | C19 | H19 | 119.8° | 119.5° |
| C24 | C22 | C9 | 118.8° | 120.0° |
| C22 | C24 | C23 | 120.9° | 120.0° |
| C24 | C22 | H22 | 120.6° | 120.0° |
| C22 | C24 | H24 | 119.6° | 120.0° |
| C22 | C9 | C11 | 121.7° | 120.0° |
| C9 | C22 | H22 | 120.6° | 120.0° |
| C23 | C24 | H24 | 119.6° | 119.9° |
| C24 | C23 | H23 | 119.8° | 120.0° |
| F4 | C14 | C16 | 120.4° | 120.0° |
| C14 | C16 | C12 | 119.4° | 120.1° |
| C14 | C16 | H16 | 120.3° | 120.0° |
| C12 | C16 | H16 | 120.3° | 119.9° |
| C16 | C12 | H12 | 120.5° | 120.0° |
| O1 | C2 | C1 | 120.3° | 120.3° |
| C2 | C1 | C3 | 119.9° | 117.5° |
| C18 | N4 | C19 | 121.7° | 122.0° |
| N4 | C18 | H18 | 119.9° | 119.6° |
| N4 | C19 | H19 | 119.8° | 119.6° |
| C1 | C3 | H3 | 120.1° | 121.0° |
| C9 | C11 | H11 | 108.4° | 109.5° |
| C9 | C11 | H11A | 108.4° | 109.5° |
| H11 | C11 | H11A | 110.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | N1 | C2 | N2 | 178.9° | 179.7° |
| C8 | N1 | N2 | C4 | 179.1° | 180.0° |
| N1 | C8 | C13 | C12 | 175.2° | 179.8° |
| N1 | C8 | C13 | C15 | 177.3° | 180.0° |
| N1 | C8 | C12 | C16 | 178.0° | 179.7° |
| C8 | N1 | C2 | O1 | 0.7° | 0.0° |
| C8 | N1 | C2 | C1 | 178.7° | 180.0° |
| N1 | C8 | C13 | H13 | 2.8° | 0.1° |
| N1 | C8 | C12 | H12 | 2.0° | 0.0° |
| C2 | N1 | N2 | C4 | 0.0° | 0.2° |
| N1 | C2 | C1 | C6 | 178.7° | 180.0° |
| C2 | N1 | C8 | C13 | 130.1° | 131.4° |
| C2 | N1 | C8 | C12 | 54.8° | 48.8° |
| N1 | C2 | O1 | C1 | 179.4° | 180.0° |
| N1 | C2 | C1 | C3 | 1.4° | 0.1° |
| N1 | N2 | C4 | C10 | 177.8° | 179.9° |
| N1 | N2 | C4 | C3 | 0.9° | 0.0° |
| N2 | N1 | C8 | C13 | 50.9° | 48.8° |
| N2 | N1 | C8 | C12 | 124.2° | 131.0° |
| N2 | N1 | C2 | O1 | 179.6° | 179.7° |
| N2 | N1 | C2 | C1 | 0.2° | 0.3° |
| C6 | N3 | C11 | HN3 | 180.0° | 180.0° |
| N3 | C6 | C1 | O2 | 178.3° | 180.0° |
| N3 | C6 | C1 | C2 | 4.5° | 6.1° |
| N3 | C6 | C1 | C3 | 172.8° | 173.8° |
| C6 | N3 | C11 | C9 | 75.7° | 180.0° |
| C6 | N3 | C11 | H11 | 164.3° | 60.0° |
| C6 | N3 | C11 | H11A | 44.3° | 60.0° |
| C11 | N3 | C6 | C1 | 178.9° | 174.8° |
| C11 | N3 | C6 | O2 | 0.7° | 5.2° |
| N3 | C11 | C9 | C7 | 176.4° | 80.0° |
| N3 | C11 | C9 | C22 | 3.0° | 100.0° |
| N3 | C11 | C9 | H11 | 120.0° | 119.9° |
| N3 | C11 | C9 | H11A | 120.0° | 120.0° |
| N3 | C11 | H11 | H11A | 118.7° | 120.0° |
| C10 | C4 | N2 | C3 | 176.9° | 180.0° |
| C4 | C10 | C20 | C21 | 175.5° | 179.7° |
| C4 | C10 | C20 | C18 | 178.3° | 180.0° |
| C4 | C10 | C21 | C19 | 177.8° | 179.9° |
| C10 | C4 | C3 | C1 | 178.6° | 179.8° |
| C4 | C10 | C20 | H20 | 1.7° | 0.1° |
| C4 | C10 | C21 | H21 | 2.2° | 0.0° |
| C10 | C4 | C3 | H3 | 1.4° | 0.1° |
| N2 | C4 | C10 | C20 | 155.7° | 0.0° |
| N2 | C4 | C10 | C21 | 19.8° | 179.7° |
| N2 | C4 | C3 | C1 | 2.1° | 0.2° |
| N2 | C4 | C3 | H3 | 177.9° | 180.0° |
| C4 | C3 | C1 | C6 | 179.6° | 179.8° |
| C3 | C4 | C10 | C20 | 20.9° | 180.0° |
| C3 | C4 | C10 | C21 | 163.6° | 0.3° |
| C4 | C3 | C1 | C2 | 2.3° | 0.1° |
| C4 | C3 | C1 | H3 | 180.0° | 179.8° |
| C7 | C5 | F1 | F2 | 121.1° | 120.0° |
| C7 | C5 | F1 | F3 | 118.3° | 120.0° |
| C7 | C5 | F2 | F3 | 119.0° | 120.1° |
| C5 | C7 | C17 | C9 | 179.6° | 179.8° |
| C5 | C7 | C17 | C23 | 179.8° | 180.0° |
| C5 | C7 | C9 | C22 | 179.9° | 180.0° |
| C5 | C7 | C9 | C11 | 0.7° | 0.1° |
| C5 | C7 | C17 | H17 | 0.2° | 0.0° |
| F1 | C5 | F2 | F3 | 121.2° | 119.9° |
| F1 | C5 | C7 | C17 | 15.6° | 0.1° |
| F1 | C5 | C7 | C9 | 164.8° | 179.7° |
| F2 | C5 | C7 | C17 | 106.2° | 119.9° |
| F2 | C5 | C7 | C9 | 73.5° | 60.3° |
| F3 | C5 | C7 | C17 | 134.6° | 120.0° |
| F3 | C5 | C7 | C9 | 45.7° | 59.8° |
| C6 | C1 | C2 | O1 | 1.9° | 0.0° |
| C6 | C1 | C2 | C3 | 177.3° | 179.9° |
| C1 | C6 | N3 | HN3 | 1.1° | 5.2° |
| C6 | C1 | C3 | H3 | 0.3° | 0.1° |
| O2 | C6 | C1 | C2 | 177.2° | 173.9° |
| O2 | C6 | C1 | C3 | 5.5° | 6.2° |
| O2 | C6 | N3 | HN3 | 179.3° | 174.9° |
| C7 | C17 | C23 | H17 | 180.0° | 180.0° |
| C17 | C7 | C9 | C22 | 0.5° | 0.2° |
| C7 | C17 | C23 | C24 | 0.7° | 0.1° |
| C17 | C7 | C9 | C11 | 179.0° | 179.7° |
| C7 | C17 | C23 | H23 | 179.3° | 180.0° |
| C9 | C7 | C17 | C23 | 0.2° | 0.2° |
| C7 | C9 | C22 | C24 | 0.2° | 0.0° |
| C7 | C9 | C22 | C11 | 179.4° | 180.0° |
| C9 | C7 | C17 | H17 | 179.8° | 179.7° |
| C7 | C9 | C22 | H22 | 179.8° | 179.7° |
| C7 | C9 | C11 | H11 | 56.4° | 39.9° |
| C7 | C9 | C11 | H11A | 63.6° | 160.0° |
| C8 | C13 | C15 | H13 | 180.0° | 180.0° |
| C8 | C13 | C15 | C14 | 0.2° | 0.1° |
| C13 | C8 | C12 | C16 | 3.2° | 0.5° |
| C8 | C13 | C15 | H15 | 179.8° | 180.0° |
| C13 | C8 | C12 | H12 | 176.8° | 179.8° |
| C12 | C8 | C13 | C15 | 2.1° | 0.2° |
| C8 | C12 | C16 | C14 | 2.4° | 0.5° |
| C8 | C12 | C16 | H12 | 180.0° | 179.7° |
| C12 | C8 | C13 | H13 | 177.9° | 179.7° |
| C8 | C12 | C16 | H16 | 177.6° | 179.7° |
| C10 | C20 | C18 | H20 | 180.0° | 180.0° |
| C20 | C10 | C21 | C19 | 2.4° | 0.2° |
| C10 | C20 | C18 | N4 | 0.6° | 0.0° |
| C20 | C10 | C21 | H21 | 177.6° | 179.7° |
| C10 | C20 | C18 | H18 | 179.3° | 180.0° |
| C21 | C10 | C20 | C18 | 2.7° | 0.2° |
| C10 | C21 | C19 | H21 | 180.0° | 180.0° |
| C10 | C21 | C19 | N4 | 0.1° | 0.1° |
| C21 | C10 | C20 | H20 | 177.3° | 179.8° |
| C10 | C21 | C19 | H19 | 179.9° | 180.0° |
| C13 | C15 | C14 | H15 | 180.0° | 179.9° |
| C13 | C15 | C14 | F4 | 179.6° | 180.0° |
| C13 | C15 | C14 | C16 | 0.5° | 0.1° |
| C15 | C14 | F4 | C16 | 179.8° | 179.9° |
| C15 | C14 | C16 | C12 | 0.6° | 0.2° |
| C14 | C15 | C13 | H13 | 179.8° | 180.0° |
| C15 | C14 | C16 | H16 | 179.4° | 180.0° |
| C17 | C23 | C24 | C22 | 1.4° | 0.3° |
| C17 | C23 | C24 | H23 | 180.0° | 179.9° |
| C17 | C23 | C24 | H24 | 178.6° | 180.0° |
| C20 | C18 | N4 | H18 | 180.0° | 179.9° |
| C20 | C18 | N4 | C19 | 1.9° | 0.4° |
| C21 | C19 | N4 | C18 | 2.2° | 0.4° |
| C21 | C19 | N4 | H19 | 180.0° | 179.9° |
| C24 | C22 | C9 | H22 | 180.0° | 179.7° |
| C22 | C24 | C23 | H24 | 180.0° | 179.7° |
| C24 | C22 | C9 | C11 | 179.6° | 180.0° |
| C22 | C24 | C23 | H23 | 178.6° | 179.8° |
| C9 | C22 | C24 | C23 | 1.1° | 0.3° |
| C9 | C22 | C24 | H24 | 178.9° | 180.0° |
| C22 | C9 | C11 | H11 | 123.1° | 140.0° |
| C22 | C9 | C11 | H11A | 116.9° | 20.0° |
| C24 | C23 | C17 | H17 | 179.3° | 180.0° |
| C23 | C24 | C22 | H22 | 178.9° | 180.0° |
| F4 | C14 | C16 | C12 | 179.3° | 179.7° |
| F4 | C14 | C15 | H15 | 0.4° | 0.1° |
| F4 | C14 | C16 | H16 | 0.7° | 0.1° |
| C14 | C16 | C12 | H16 | 180.0° | 179.8° |
| C16 | C14 | C15 | H15 | 179.5° | 180.0° |
| C14 | C16 | C12 | H12 | 177.6° | 179.8° |
| O1 | C2 | C1 | C3 | 179.2° | 179.9° |
| C2 | C1 | C3 | H3 | 177.7° | 180.0° |
| N4 | C18 | C20 | H20 | 179.4° | 179.9° |
| C18 | N4 | C19 | H19 | 177.7° | 179.7° |
| N4 | C19 | C21 | H21 | 179.9° | 179.9° |
| C19 | N4 | C18 | H18 | 178.1° | 179.7° |
| C9 | C11 | N3 | HN3 | 104.3° | 0.0° |
| C11 | C9 | C22 | H22 | 0.4° | 0.3° |
| C9 | C11 | H11 | H11A | 118.7° | 120.1° |
| HN3 | N3 | C11 | H11 | 15.7° | 120.0° |
| HN3 | N3 | C11 | H11A | 135.7° | 120.0° |
| H13 | C13 | C15 | H15 | 0.2° | 0.1° |
| H17 | C17 | C23 | H23 | 0.7° | 0.0° |
| H20 | C20 | C18 | H18 | 0.7° | 0.0° |
| H21 | C21 | C19 | H19 | 0.1° | 0.0° |
| H22 | C22 | C24 | H24 | 1.1° | 0.3° |
| H24 | C24 | C23 | H23 | 1.4° | 0.1° |
| H16 | C16 | C12 | H12 | 2.4° | 0.0° |
