F96
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.37Å | Aromatic |
| F | C17 | sing | 1.35Å | 1.36Å | |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.49Å | |
| C12 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.36Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C9 | sing | 1.41Å | 1.40Å | Aromatic |
| C20 | N1 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | N2 | sing | 1.36Å | 1.40Å | Aromatic |
| C7 | N1 | sing | 1.46Å | 1.46Å | |
| C7 | C | sing | 1.51Å | 1.52Å | |
| N | C3 | sing | 1.47Å | 1.46Å | |
| N | C2 | sing | 1.47Å | 1.47Å | |
| N1 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.47Å | |
| C | O | doub | 1.21Å | 1.21Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C6 | sing | 1.53Å | 1.49Å | |
| N2 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | O1 | sing | 1.43Å | 1.43Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| N | H14 | sing | 1.01Å | 1.00Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| O1 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 117.6° | 120.2° |
| C16 | C15 | C14 | 120.5° | 120.2° |
| C16 | C15 | H19 | 119.8° | 119.9° |
| C15 | C16 | H20 | 121.2° | 119.9° |
| C16 | C17 | F | 118.3° | 120.0° |
| C16 | C17 | C18 | 123.4° | 120.0° |
| C17 | C16 | H20 | 121.2° | 119.9° |
| F | C17 | C18 | 118.2° | 120.0° |
| C15 | C14 | C13 | 120.9° | 119.9° |
| C15 | C14 | H18 | 119.6° | 120.1° |
| C14 | C15 | H19 | 119.7° | 119.9° |
| C17 | C18 | C13 | 119.3° | 119.9° |
| C17 | C18 | H21 | 120.4° | 120.1° |
| C14 | C13 | C18 | 118.2° | 119.7° |
| C14 | C13 | C12 | 121.2° | 120.1° |
| C13 | C14 | H18 | 119.5° | 120.0° |
| C18 | C13 | C12 | 120.4° | 120.1° |
| C13 | C18 | H21 | 120.4° | 120.1° |
| C13 | C12 | C11 | 120.8° | 119.9° |
| C13 | C12 | C19 | 119.8° | 119.9° |
| C11 | C12 | C19 | 119.4° | 120.2° |
| C12 | C11 | C10 | 121.7° | 120.6° |
| C12 | C11 | H1 | 119.1° | 119.7° |
| C12 | C19 | C20 | 118.8° | 119.6° |
| C12 | C19 | H22 | 120.6° | 120.2° |
| C11 | C10 | C9 | 118.6° | 120.0° |
| C10 | C11 | H1 | 119.2° | 119.7° |
| C11 | C10 | H12 | 120.7° | 120.0° |
| C19 | C20 | C9 | 121.3° | 119.9° |
| C19 | C20 | N1 | 132.7° | 134.0° |
| C20 | C19 | H22 | 120.6° | 120.2° |
| C10 | C9 | C20 | 120.0° | 119.7° |
| C10 | C9 | N2 | 130.6° | 133.4° |
| C9 | C10 | H12 | 120.7° | 120.0° |
| C9 | C20 | N1 | 106.0° | 106.0° |
| C20 | C9 | N2 | 109.3° | 106.9° |
| C20 | N1 | C7 | 126.1° | 126.4° |
| C20 | N1 | C8 | 106.8° | 107.3° |
| C9 | N2 | C8 | 104.6° | 109.6° |
| N1 | C7 | C | 112.5° | 109.5° |
| C7 | N1 | C8 | 126.8° | 126.4° |
| N1 | C7 | H2 | 108.7° | 109.5° |
| N1 | C7 | H3 | 108.7° | 109.5° |
| C7 | C | O | 121.6° | 120.0° |
| C7 | C | C1 | 116.6° | 120.0° |
| C | C7 | H2 | 108.7° | 109.5° |
| C | C7 | H3 | 108.7° | 109.4° |
| C3 | N | C2 | 111.1° | 111.2° |
| N | C3 | C4 | 109.8° | 109.5° |
| N | C3 | H9 | 109.4° | 109.5° |
| N | C3 | H10 | 109.4° | 109.5° |
| C3 | N | H14 | 109.0° | 111.0° |
| N | C2 | C1 | 114.7° | 109.4° |
| N | C2 | C6 | 109.9° | 109.5° |
| N | C2 | H11 | 106.0° | 109.5° |
| C2 | N | H14 | 109.1° | 111.0° |
| N1 | C8 | N2 | 113.2° | 110.2° |
| N1 | C8 | H13 | 123.4° | 125.0° |
| C3 | C4 | C5 | 107.9° | 109.3° |
| C3 | C4 | H7 | 109.8° | 109.5° |
| C3 | C4 | H8 | 109.9° | 109.6° |
| C4 | C3 | H9 | 109.4° | 109.4° |
| C4 | C3 | H10 | 109.4° | 109.4° |
| O | C | C1 | 121.8° | 119.9° |
| C | C1 | C2 | 113.7° | 109.5° |
| C | C1 | H16 | 108.4° | 109.5° |
| C | C1 | H17 | 108.4° | 109.5° |
| C1 | C2 | C6 | 114.5° | 109.5° |
| C1 | C2 | H11 | 105.2° | 109.5° |
| C2 | C1 | H16 | 108.4° | 109.4° |
| C2 | C1 | H17 | 108.4° | 109.5° |
| C2 | C6 | C5 | 108.6° | 109.3° |
| C2 | C6 | O1 | 109.9° | 109.5° |
| C2 | C6 | H4 | 109.3° | 109.5° |
| C6 | C2 | H11 | 105.6° | 109.4° |
| N2 | C8 | H13 | 123.4° | 124.9° |
| C4 | C5 | C6 | 111.0° | 109.2° |
| C4 | C5 | H5 | 109.1° | 109.5° |
| C4 | C5 | H6 | 109.1° | 109.5° |
| C5 | C4 | H7 | 109.9° | 109.5° |
| C5 | C4 | H8 | 109.8° | 109.5° |
| C5 | C6 | O1 | 109.7° | 109.5° |
| C5 | C6 | H4 | 109.0° | 109.5° |
| C6 | C5 | H5 | 109.1° | 109.6° |
| C6 | C5 | H6 | 109.1° | 109.5° |
| O1 | C6 | H4 | 110.2° | 109.5° |
| C6 | O1 | H23 | 109.5° | 114.0° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H9 | C3 | H10 | 109.5° | 109.5° |
| H16 | C1 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H20 | 180.0° | 179.9° |
| C15 | C16 | C17 | F | 173.3° | 180.0° |
| C16 | C15 | C14 | H19 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 2.7° | 0.3° |
| C16 | C15 | C14 | C13 | 1.8° | 0.0° |
| C16 | C15 | C14 | H18 | 178.2° | 180.0° |
| C16 | C17 | F | C18 | 176.3° | 179.7° |
| C17 | C16 | C15 | C14 | 1.0° | 0.0° |
| C16 | C17 | C18 | C13 | 1.5° | 0.6° |
| C17 | C16 | C15 | H19 | 179.0° | 179.9° |
| C16 | C17 | C18 | H21 | 178.5° | 179.9° |
| F | C17 | C18 | C13 | 174.6° | 179.7° |
| F | C17 | C16 | H20 | 6.7° | 0.1° |
| F | C17 | C18 | H21 | 5.5° | 0.2° |
| C15 | C14 | C13 | H18 | 180.0° | 180.0° |
| C15 | C14 | C13 | C18 | 3.0° | 0.2° |
| C15 | C14 | C13 | C12 | 171.9° | 180.0° |
| C14 | C15 | C16 | H20 | 179.0° | 179.9° |
| C17 | C18 | C13 | C14 | 1.4° | 0.5° |
| C17 | C18 | C13 | H21 | 180.0° | 179.5° |
| C17 | C18 | C13 | C12 | 173.6° | 179.7° |
| C18 | C17 | C16 | H20 | 177.3° | 179.8° |
| C14 | C13 | C18 | C12 | 174.9° | 179.8° |
| C14 | C13 | C12 | C11 | 136.4° | 0.0° |
| C14 | C13 | C12 | C19 | 41.8° | 180.0° |
| C13 | C14 | C15 | H19 | 178.2° | 180.0° |
| C14 | C13 | C18 | H21 | 178.6° | 180.0° |
| C18 | C13 | C12 | C11 | 38.3° | 179.8° |
| C18 | C13 | C12 | C19 | 143.4° | 0.2° |
| C18 | C13 | C14 | H18 | 177.0° | 179.7° |
| C13 | C12 | C11 | C19 | 178.2° | 180.0° |
| C13 | C12 | C11 | C10 | 179.7° | 180.0° |
| C13 | C12 | C19 | C20 | 179.2° | 179.4° |
| C13 | C12 | C11 | H1 | 0.4° | 0.3° |
| C12 | C13 | C14 | H18 | 8.1° | 0.0° |
| C12 | C13 | C18 | H21 | 6.4° | 0.2° |
| C13 | C12 | C19 | H22 | 0.8° | 0.0° |
| C12 | C11 | C10 | H1 | 180.0° | 179.7° |
| C11 | C12 | C19 | C20 | 0.9° | 0.6° |
| C12 | C11 | C10 | C9 | 0.1° | 0.2° |
| C12 | C11 | C10 | H12 | 179.9° | 179.7° |
| C11 | C12 | C19 | H22 | 179.0° | 180.0° |
| C19 | C12 | C11 | C10 | 1.4° | 0.0° |
| C12 | C19 | C20 | H22 | 180.0° | 179.4° |
| C12 | C19 | C20 | C9 | 1.0° | 0.9° |
| C12 | C19 | C20 | N1 | 178.9° | 180.0° |
| C19 | C12 | C11 | H1 | 178.6° | 179.7° |
| C11 | C10 | C9 | H12 | 180.0° | 179.8° |
| C11 | C10 | C9 | C20 | 2.0° | 0.1° |
| C11 | C10 | C9 | N2 | 176.5° | 180.0° |
| C19 | C20 | C9 | C10 | 2.5° | 0.7° |
| C19 | C20 | C9 | N1 | 178.4° | 179.3° |
| C19 | C20 | C9 | N2 | 176.3° | 179.5° |
| C19 | C20 | N1 | C7 | 8.8° | 0.8° |
| C19 | C20 | N1 | C8 | 176.2° | 179.3° |
| C10 | C9 | C20 | N2 | 178.8° | 179.9° |
| C10 | C9 | C20 | N1 | 179.1° | 180.0° |
| C10 | C9 | N2 | C8 | 180.0° | 179.9° |
| C9 | C10 | C11 | H1 | 179.9° | 179.9° |
| C9 | C20 | N1 | C7 | 173.0° | 180.0° |
| C9 | C20 | N1 | C8 | 2.0° | 0.1° |
| C20 | C9 | N2 | C8 | 1.3° | 0.1° |
| C20 | C9 | C10 | H12 | 178.0° | 180.0° |
| C9 | C20 | C19 | H22 | 179.0° | 179.7° |
| N1 | C20 | C9 | N2 | 2.1° | 0.1° |
| C20 | N1 | C7 | C8 | 174.1° | 179.9° |
| C20 | N1 | C7 | C | 112.2° | 85.1° |
| C20 | N1 | C8 | N2 | 1.3° | 0.1° |
| C20 | N1 | C7 | H2 | 127.4° | 154.9° |
| C20 | N1 | C7 | H3 | 8.3° | 34.8° |
| C20 | N1 | C8 | H13 | 178.8° | 179.9° |
| N1 | C20 | C19 | H22 | 1.1° | 0.6° |
| C9 | N2 | C8 | N1 | 0.0° | 0.0° |
| N2 | C9 | C10 | H12 | 3.5° | 0.2° |
| C9 | N2 | C8 | H13 | 179.9° | 179.9° |
| N1 | C7 | C | H2 | 120.4° | 120.0° |
| N1 | C7 | C | H3 | 120.5° | 120.0° |
| N1 | C7 | C | O | 26.3° | 0.0° |
| N1 | C7 | C | C1 | 154.3° | 180.0° |
| C7 | N1 | C8 | N2 | 173.7° | 180.0° |
| N1 | C7 | H2 | H3 | 118.7° | 120.1° |
| C7 | N1 | C8 | H13 | 6.2° | 0.0° |
| C | C7 | N1 | C8 | 61.9° | 95.0° |
| C7 | C | O | C1 | 179.3° | 180.0° |
| C7 | C | C1 | C2 | 177.6° | 180.0° |
| C | C7 | H2 | H3 | 118.6° | 120.0° |
| C7 | C | C1 | H16 | 61.7° | 60.0° |
| C7 | C | C1 | H17 | 57.0° | 60.0° |
| C3 | N | C2 | H14 | 120.3° | 124.1° |
| N | C3 | C4 | H9 | 120.0° | 120.0° |
| N | C3 | C4 | H10 | 120.1° | 120.0° |
| C3 | N | C2 | C1 | 168.5° | 178.2° |
| C3 | N | C2 | C6 | 60.9° | 61.8° |
| N | C3 | C4 | C5 | 60.2° | 59.2° |
| N | C3 | C4 | H7 | 180.0° | 60.8° |
| N | C3 | C4 | H8 | 59.5° | 179.2° |
| N | C3 | H9 | H10 | 119.9° | 120.0° |
| C3 | N | C2 | H11 | 52.8° | 58.2° |
| C2 | N | C3 | C4 | 63.0° | 61.7° |
| N | C2 | C1 | C | 64.1° | 65.0° |
| N | C2 | C1 | C6 | 128.4° | 120.0° |
| N | C2 | C1 | H11 | 116.1° | 120.0° |
| N | C2 | C6 | H11 | 113.9° | 120.0° |
| N | C2 | C6 | C5 | 56.9° | 59.2° |
| N | C2 | C6 | O1 | 176.9° | 179.2° |
| N | C2 | C6 | H4 | 62.0° | 60.8° |
| C2 | N | C3 | H9 | 57.0° | 178.3° |
| C2 | N | C3 | H10 | 176.9° | 58.2° |
| N | C2 | C1 | H16 | 175.3° | 175.0° |
| N | C2 | C1 | H17 | 56.5° | 55.0° |
| N1 | C8 | N2 | H13 | 180.0° | 180.0° |
| C8 | N1 | C7 | H2 | 58.5° | 25.0° |
| C8 | N1 | C7 | H3 | 177.6° | 145.1° |
| C3 | C4 | C5 | H7 | 119.8° | 119.9° |
| C3 | C4 | C5 | H8 | 119.8° | 120.1° |
| C3 | C4 | C5 | C6 | 58.5° | 57.6° |
| C3 | C4 | C5 | H5 | 61.8° | 177.6° |
| C3 | C4 | C5 | H6 | 178.7° | 62.3° |
| C3 | C4 | H7 | H8 | 120.7° | 120.1° |
| C4 | C3 | H9 | H10 | 119.9° | 120.0° |
| C4 | C3 | N | H14 | 57.2° | 62.4° |
| O | C | C1 | C2 | 1.7° | 0.0° |
| O | C | C7 | H2 | 146.8° | 120.0° |
| O | C | C7 | H3 | 94.1° | 120.0° |
| O | C | C1 | H16 | 118.9° | 120.0° |
| O | C | C1 | H17 | 122.3° | 120.0° |
| C | C1 | C2 | H16 | 120.6° | 120.0° |
| C | C1 | C2 | H17 | 120.6° | 120.0° |
| C | C1 | C2 | C6 | 64.3° | 175.0° |
| C1 | C | C7 | H2 | 33.9° | 60.0° |
| C1 | C | C7 | H3 | 85.2° | 60.0° |
| C | C1 | C2 | H11 | 179.8° | 55.0° |
| C | C1 | H16 | H17 | 118.1° | 120.0° |
| C1 | C2 | C6 | H11 | 115.3° | 120.0° |
| C1 | C2 | C6 | C5 | 172.3° | 179.2° |
| C1 | C2 | C6 | O1 | 52.3° | 60.9° |
| C1 | C2 | C6 | H4 | 68.8° | 59.2° |
| C1 | C2 | N | H14 | 71.3° | 57.7° |
| C2 | C1 | H16 | H17 | 118.1° | 120.0° |
| C2 | C6 | C5 | C4 | 56.8° | 57.6° |
| C2 | C6 | C5 | O1 | 120.2° | 120.0° |
| C2 | C6 | C5 | H4 | 119.1° | 120.0° |
| C2 | C6 | O1 | H4 | 120.6° | 120.1° |
| C2 | C6 | C5 | H5 | 63.5° | 177.5° |
| C2 | C6 | C5 | H6 | 177.0° | 62.3° |
| C6 | C2 | N | H14 | 59.4° | 62.3° |
| C6 | C2 | C1 | H16 | 56.4° | 55.0° |
| C6 | C2 | C1 | H17 | 175.1° | 65.0° |
| C2 | C6 | O1 | H23 | 180.0° | 179.8° |
| C4 | C5 | C6 | H5 | 120.2° | 119.9° |
| C4 | C5 | C6 | H6 | 120.2° | 119.9° |
| C4 | C5 | C6 | O1 | 176.9° | 177.6° |
| C4 | C5 | C6 | H4 | 62.3° | 62.4° |
| C4 | C5 | H5 | H6 | 119.3° | 120.1° |
| C5 | C4 | H7 | H8 | 120.7° | 120.0° |
| C5 | C4 | C3 | H9 | 59.8° | 179.2° |
| C5 | C4 | C3 | H10 | 179.7° | 60.8° |
| C5 | C6 | O1 | H4 | 120.1° | 120.1° |
| C6 | C5 | H5 | H6 | 119.3° | 120.2° |
| C6 | C5 | C4 | H7 | 178.2° | 62.3° |
| C6 | C5 | C4 | H8 | 61.3° | 177.7° |
| C5 | C6 | C2 | H11 | 57.0° | 60.8° |
| C5 | C6 | O1 | H23 | 60.6° | 60.0° |
| O1 | C6 | C5 | H5 | 56.7° | 62.5° |
| O1 | C6 | C5 | H6 | 62.8° | 57.7° |
| O1 | C6 | C2 | H11 | 63.0° | 59.1° |
| H1 | C11 | C10 | H12 | 0.1° | 0.1° |
| H4 | C6 | C5 | H5 | 177.5° | 57.6° |
| H4 | C6 | C5 | H6 | 57.9° | 177.7° |
| H4 | C6 | C2 | H11 | 175.9° | 179.2° |
| H4 | C6 | O1 | H23 | 59.4° | 60.1° |
| H5 | C5 | C4 | H7 | 58.0° | 57.6° |
| H5 | C5 | C4 | H8 | 178.5° | 62.4° |
| H6 | C5 | C4 | H7 | 61.6° | 177.8° |
| H6 | C5 | C4 | H8 | 58.9° | 57.8° |
| H7 | C4 | C3 | H9 | 60.0° | 59.2° |
| H7 | C4 | C3 | H10 | 59.9° | 179.2° |
| H8 | C4 | C3 | H9 | 179.6° | 60.8° |
| H8 | C4 | C3 | H10 | 60.6° | 59.2° |
| H9 | C3 | N | H14 | 177.3° | 57.6° |
| H10 | C3 | N | H14 | 62.8° | 177.7° |
| H11 | C2 | N | H14 | 173.1° | 177.7° |
| H11 | C2 | C1 | H16 | 59.2° | 65.0° |
| H11 | C2 | C1 | H17 | 59.6° | 175.0° |
| H18 | C14 | C15 | H19 | 1.8° | 0.0° |
| H19 | C15 | C16 | H20 | 1.0° | 0.1° |
