F47
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F24 | C21 | sing | 1.35Å | 1.38Å | |
| C21 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.42Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C18 | sing | 1.39Å | 1.44Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.42Å | Aromatic |
| C18 | C1 | sing | 1.48Å | 1.51Å | |
| C1 | C2 | sing | 1.41Å | 1.43Å | Aromatic |
| C1 | N4 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | N3 | doub | 1.31Å | 1.33Å | Aromatic |
| N3 | C6 | sing | 1.34Å | 1.34Å | Aromatic |
| N4 | N5 | sing | 1.40Å | 1.45Å | Aromatic |
| N5 | C6 | sing | 1.38Å | 1.36Å | Aromatic |
| N5 | C9 | sing | 1.36Å | 1.31Å | Aromatic |
| C6 | N7 | doub | 1.32Å | 1.34Å | Aromatic |
| N7 | N8 | sing | 1.29Å | 1.36Å | Aromatic |
| N8 | C9 | doub | 1.31Å | 1.28Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | C11 | sing | 1.51Å | 1.47Å | |
| C11 | C12 | sing | 1.38Å | 1.46Å | Aromatic |
| C11 | C16 | doub | 1.38Å | 1.44Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | O17 | sing | 1.36Å | 1.40Å | |
| C14 | C15 | doub | 1.39Å | 1.44Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.45Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| O17 | H17 | sing | 0.97Å | 0.95Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F24 | C21 | C22 | 116.6° | 119.9° |
| F24 | C21 | C20 | 119.9° | 119.9° |
| C22 | C21 | C20 | 123.5° | 120.2° |
| C21 | C22 | C23 | 120.2° | 120.1° |
| C21 | C22 | H22 | 119.9° | 120.0° |
| C21 | C20 | C19 | 117.2° | 120.1° |
| C21 | C20 | H20 | 121.4° | 119.9° |
| C22 | C23 | C18 | 117.9° | 119.9° |
| C23 | C22 | H22 | 119.9° | 120.0° |
| C22 | C23 | H23 | 121.1° | 120.0° |
| C23 | C18 | C19 | 120.9° | 119.8° |
| C23 | C18 | C1 | 121.1° | 120.1° |
| C18 | C23 | H23 | 121.1° | 120.0° |
| C20 | C19 | C18 | 120.3° | 119.9° |
| C19 | C20 | H20 | 121.4° | 120.0° |
| C20 | C19 | H19 | 119.9° | 120.0° |
| C19 | C18 | C1 | 117.9° | 120.0° |
| C18 | C19 | H19 | 119.8° | 120.1° |
| C18 | C1 | C2 | 123.2° | 120.1° |
| C18 | C1 | N4 | 119.1° | 120.2° |
| C2 | C1 | N4 | 117.7° | 119.8° |
| C1 | C2 | N3 | 122.4° | 120.8° |
| C1 | C2 | H2 | 118.8° | 119.6° |
| C1 | N4 | N5 | 118.8° | 118.9° |
| C2 | N3 | C6 | 119.8° | 120.8° |
| N3 | C2 | H2 | 118.8° | 119.6° |
| N3 | C6 | N5 | 122.3° | 119.9° |
| N3 | C6 | N7 | 132.7° | 133.5° |
| N4 | N5 | C6 | 119.0° | 119.8° |
| N4 | N5 | C9 | 130.5° | 134.1° |
| C6 | N5 | C9 | 110.5° | 106.1° |
| N5 | C6 | N7 | 105.1° | 106.6° |
| N5 | C9 | N8 | 107.3° | 107.4° |
| N5 | C9 | C10 | 124.6° | 126.3° |
| C6 | N7 | N8 | 106.7° | 109.6° |
| N7 | N8 | C9 | 110.5° | 110.3° |
| N8 | C9 | C10 | 128.2° | 126.3° |
| C9 | C10 | C11 | 116.4° | 109.5° |
| C9 | C10 | H101 | 107.7° | 109.4° |
| C9 | C10 | H102 | 107.7° | 109.5° |
| C10 | C11 | C12 | 121.2° | 119.9° |
| C10 | C11 | C16 | 119.7° | 119.9° |
| C11 | C10 | H101 | 107.7° | 109.5° |
| C11 | C10 | H102 | 107.7° | 109.5° |
| C12 | C11 | C16 | 119.1° | 120.1° |
| C11 | C12 | C13 | 120.7° | 120.1° |
| C11 | C12 | H12 | 119.7° | 120.0° |
| C11 | C16 | C15 | 117.6° | 120.1° |
| C11 | C16 | H16 | 121.2° | 120.0° |
| C12 | C13 | C14 | 121.8° | 120.0° |
| C13 | C12 | H12 | 119.7° | 119.9° |
| C12 | C13 | H13 | 119.1° | 120.1° |
| C13 | C14 | O17 | 118.8° | 120.1° |
| C13 | C14 | C15 | 118.1° | 119.8° |
| C14 | C13 | H13 | 119.1° | 120.0° |
| O17 | C14 | C15 | 123.0° | 120.1° |
| C14 | O17 | H17 | 109.5° | 114.0° |
| C14 | C15 | C16 | 122.7° | 120.0° |
| C14 | C15 | H15 | 118.7° | 120.0° |
| C15 | C16 | H16 | 121.2° | 119.9° |
| C16 | C15 | H15 | 118.7° | 120.1° |
| H101 | C10 | H102 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F24 | C21 | C22 | C20 | 180.0° | 179.7° |
| F24 | C21 | C22 | C23 | 179.9° | 180.0° |
| F24 | C21 | C20 | C19 | 180.0° | 180.0° |
| F24 | C21 | C22 | H22 | 0.1° | 0.0° |
| F24 | C21 | C20 | H20 | 0.0° | 0.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C18 | 0.0° | 0.0° |
| C22 | C21 | C20 | C19 | 0.0° | 0.2° |
| C22 | C21 | C20 | H20 | 180.0° | 179.7° |
| C21 | C22 | C23 | H23 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.0° | 0.2° |
| C21 | C20 | C19 | H20 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 0.0° | 0.1° |
| C20 | C21 | C22 | H22 | 180.0° | 179.7° |
| C21 | C20 | C19 | H19 | 180.0° | 180.0° |
| C22 | C23 | C18 | H23 | 180.0° | 180.0° |
| C22 | C23 | C18 | C19 | 0.0° | 0.3° |
| C22 | C23 | C18 | C1 | 179.5° | 180.0° |
| C23 | C18 | C19 | C20 | 0.0° | 0.4° |
| C23 | C18 | C19 | C1 | 179.5° | 179.7° |
| C23 | C18 | C1 | C2 | 12.8° | 0.0° |
| C23 | C18 | C1 | N4 | 167.7° | 179.4° |
| C18 | C23 | C22 | H22 | 180.0° | 180.0° |
| C23 | C18 | C19 | H19 | 180.0° | 179.8° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | C1 | 179.5° | 180.0° |
| C19 | C18 | C1 | C2 | 166.7° | 179.7° |
| C19 | C18 | C1 | N4 | 12.8° | 0.3° |
| C18 | C19 | C20 | H20 | 180.0° | 180.0° |
| C19 | C18 | C23 | H23 | 180.0° | 179.7° |
| C18 | C1 | C2 | N4 | 179.5° | 179.4° |
| C18 | C1 | C2 | N3 | 179.5° | 180.0° |
| C18 | C1 | N4 | N5 | 179.4° | 179.8° |
| C1 | C18 | C23 | H23 | 0.5° | 0.0° |
| C1 | C18 | C19 | H19 | 0.5° | 0.1° |
| C18 | C1 | C2 | H2 | 0.5° | 0.0° |
| C1 | C2 | N3 | H2 | 180.0° | 180.0° |
| C1 | C2 | N3 | C6 | 0.1° | 0.4° |
| C2 | C1 | N4 | N5 | 0.2° | 0.4° |
| N4 | C1 | C2 | N3 | 0.1° | 0.6° |
| C1 | N4 | N5 | C6 | 0.1° | 0.0° |
| C1 | N4 | N5 | C9 | 179.9° | 179.7° |
| N4 | C1 | C2 | H2 | 179.9° | 179.4° |
| C2 | N3 | C6 | N5 | 0.2° | 0.0° |
| C2 | N3 | C6 | N7 | 179.8° | 179.9° |
| N3 | C6 | N5 | N4 | 0.1° | 0.2° |
| N3 | C6 | N5 | N7 | 180.0° | 180.0° |
| N3 | C6 | N5 | C9 | 180.0° | 180.0° |
| N3 | C6 | N7 | N8 | 180.0° | 180.0° |
| C6 | N3 | C2 | H2 | 179.9° | 179.6° |
| N4 | N5 | C6 | C9 | 180.0° | 179.7° |
| N4 | N5 | C6 | N7 | 179.9° | 179.7° |
| N4 | N5 | C9 | N8 | 179.9° | 179.7° |
| N4 | N5 | C9 | C10 | 0.1° | 0.3° |
| N5 | C6 | N7 | N8 | 0.0° | 0.0° |
| C6 | N5 | C9 | N8 | 0.0° | 0.0° |
| C6 | N5 | C9 | C10 | 179.9° | 180.0° |
| C9 | N5 | C6 | N7 | 0.0° | 0.0° |
| N5 | C9 | N8 | N7 | 0.0° | 0.0° |
| N5 | C9 | N8 | C10 | 180.0° | 179.9° |
| N5 | C9 | C10 | C11 | 69.9° | 90.0° |
| N5 | C9 | C10 | H101 | 51.1° | 30.0° |
| N5 | C9 | C10 | H102 | 169.1° | 149.9° |
| C6 | N7 | N8 | C9 | 0.0° | 0.0° |
| N7 | N8 | C9 | C10 | 179.9° | 180.0° |
| N8 | C9 | C10 | C11 | 110.1° | 90.0° |
| N8 | C9 | C10 | H101 | 128.8° | 150.0° |
| N8 | C9 | C10 | H102 | 10.9° | 30.1° |
| C9 | C10 | C11 | H101 | 121.0° | 120.0° |
| C9 | C10 | C11 | H102 | 121.0° | 120.0° |
| C9 | C10 | C11 | C12 | 77.8° | 90.0° |
| C9 | C10 | C11 | C16 | 102.2° | 90.3° |
| C9 | C10 | H101 | H102 | 116.8° | 119.9° |
| C10 | C11 | C12 | C16 | 180.0° | 179.6° |
| C10 | C11 | C12 | C13 | 179.9° | 179.7° |
| C10 | C11 | C16 | C15 | 179.9° | 179.7° |
| C11 | C10 | H101 | H102 | 116.9° | 120.1° |
| C10 | C11 | C12 | H12 | 0.1° | 0.3° |
| C10 | C11 | C16 | H16 | 0.1° | 0.3° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C12 | C11 | C16 | C15 | 0.1° | 0.1° |
| C12 | C11 | C10 | H101 | 161.2° | 150.0° |
| C12 | C11 | C10 | H102 | 43.2° | 30.0° |
| C12 | C11 | C16 | H16 | 179.9° | 179.9° |
| C11 | C12 | C13 | H13 | 180.0° | 179.9° |
| C16 | C11 | C12 | C13 | 0.1° | 0.1° |
| C11 | C16 | C15 | C14 | 0.0° | 0.0° |
| C11 | C16 | C15 | H16 | 180.0° | 180.0° |
| C16 | C11 | C10 | H101 | 18.8° | 29.6° |
| C16 | C11 | C10 | H102 | 136.8° | 149.7° |
| C16 | C11 | C12 | H12 | 179.9° | 180.0° |
| C11 | C16 | C15 | H15 | 179.9° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | O17 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C13 | C14 | O17 | C15 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C13 | C12 | H12 | 180.0° | 180.0° |
| C13 | C14 | O17 | H17 | 180.0° | 90.0° |
| C13 | C14 | C15 | H15 | 180.0° | 180.0° |
| O17 | C14 | C15 | C16 | 179.9° | 180.0° |
| O17 | C14 | C13 | H13 | 0.1° | 0.0° |
| O17 | C14 | C15 | H15 | 0.1° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| C15 | C14 | C13 | H13 | 179.9° | 180.0° |
| C15 | C14 | O17 | H17 | 0.0° | 90.0° |
| H22 | C22 | C23 | H23 | 0.0° | 0.0° |
| H20 | C20 | C19 | H19 | 0.0° | 0.1° |
| H12 | C12 | C13 | H13 | 0.0° | 0.0° |
| H16 | C16 | C15 | H15 | 0.0° | 0.0° |
