0F4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C2 | sing | 1.40Å | 1.32Å | |
| C5 | C2 | sing | 1.51Å | 1.48Å | |
| C2 | F4 | sing | 1.40Å | 1.33Å | |
| C2 | F3 | sing | 1.40Å | 1.32Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | N10 | sing | 1.40Å | 1.35Å | |
| N10 | C11 | sing | 1.35Å | 1.34Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C11 | O12 | doub | 1.22Å | 1.23Å | |
| C11 | N13 | sing | 1.35Å | 1.33Å | |
| N13 | C14 | sing | 1.40Å | 1.35Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C37 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C37 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | N19 | sing | 1.40Å | 1.37Å | |
| N19 | C20 | sing | 1.40Å | 1.37Å | |
| N19 | HN19 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C28 | sing | 1.48Å | 1.47Å | |
| C36 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | N25 | sing | 1.39Å | 1.38Å | |
| N25 | C26 | sing | 1.34Å | 1.34Å | |
| N25 | HN25 | sing | 0.97Å | 1.00Å | |
| C28 | C26 | sing | 1.47Å | 1.46Å | |
| C26 | O27 | doub | 1.22Å | 1.29Å | |
| C28 | C29 | doub | 1.38Å | 1.49Å | |
| C29 | C30 | sing | 1.41Å | 1.49Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | N34 | sing | 1.38Å | 1.33Å | Aromatic |
| C30 | C31 | doub | 1.39Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.39Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | C32 | doub | 1.36Å | 1.39Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| N34 | C33 | sing | 1.36Å | 1.36Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| N34 | HN34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C2 | C5 | 105.7° | 109.4° |
| F1 | C2 | F4 | 111.9° | 109.5° |
| F1 | C2 | F3 | 108.3° | 109.5° |
| C5 | C2 | F4 | 107.6° | 109.5° |
| C5 | C2 | F3 | 112.9° | 109.4° |
| C2 | C5 | C6 | 117.9° | 119.9° |
| C2 | C5 | C38 | 121.1° | 120.0° |
| F4 | C2 | F3 | 110.4° | 109.5° |
| C6 | C5 | C38 | 121.1° | 120.1° |
| C5 | C6 | C7 | 119.4° | 120.1° |
| C5 | C6 | H6 | 120.3° | 119.9° |
| C5 | C38 | C9 | 119.7° | 120.0° |
| C5 | C38 | H38 | 120.2° | 120.0° |
| C7 | C6 | H6 | 120.3° | 120.0° |
| C6 | C7 | C8 | 119.7° | 120.1° |
| C6 | C7 | H7 | 120.1° | 120.0° |
| C8 | C7 | H7 | 120.2° | 120.0° |
| C7 | C8 | C9 | 120.8° | 119.9° |
| C7 | C8 | H8 | 119.6° | 120.0° |
| C9 | C8 | H8 | 119.6° | 120.1° |
| C8 | C9 | C38 | 119.3° | 119.9° |
| C8 | C9 | N10 | 117.5° | 120.0° |
| C38 | C9 | N10 | 123.2° | 120.1° |
| C9 | C38 | H38 | 120.1° | 120.0° |
| C9 | N10 | C11 | 126.7° | 120.0° |
| C9 | N10 | HN10 | 116.6° | 120.0° |
| C11 | N10 | HN10 | 116.7° | 120.0° |
| N10 | C11 | O12 | 124.1° | 120.0° |
| N10 | C11 | N13 | 114.5° | 120.0° |
| O12 | C11 | N13 | 121.5° | 120.0° |
| C11 | N13 | C14 | 123.9° | 120.0° |
| C11 | N13 | HN13 | 118.1° | 120.0° |
| C14 | N13 | HN13 | 118.0° | 120.0° |
| N13 | C14 | C15 | 115.5° | 120.0° |
| N13 | C14 | C37 | 124.6° | 120.1° |
| C15 | C14 | C37 | 119.9° | 119.9° |
| C14 | C15 | C16 | 120.4° | 120.1° |
| C14 | C15 | H15 | 119.8° | 120.0° |
| C14 | C37 | C18 | 120.5° | 119.9° |
| C14 | C37 | H37 | 119.7° | 120.0° |
| C16 | C15 | H15 | 119.8° | 119.9° |
| C15 | C16 | C17 | 119.4° | 120.1° |
| C15 | C16 | H16 | 120.3° | 120.0° |
| C17 | C16 | H16 | 120.3° | 119.9° |
| C16 | C17 | C18 | 121.2° | 120.1° |
| C16 | C17 | H17 | 119.4° | 119.9° |
| C18 | C17 | H17 | 119.4° | 119.9° |
| C17 | C18 | C37 | 118.5° | 119.9° |
| C17 | C18 | N19 | 123.5° | 120.1° |
| C37 | C18 | N19 | 118.0° | 120.1° |
| C18 | C37 | H37 | 119.8° | 120.1° |
| C18 | N19 | C20 | 129.7° | 120.0° |
| C18 | N19 | HN19 | 115.1° | 120.0° |
| C20 | N19 | HN19 | 115.2° | 120.0° |
| N19 | C20 | C21 | 124.2° | 119.8° |
| N19 | C20 | C36 | 116.7° | 119.8° |
| C21 | C20 | C36 | 119.1° | 120.4° |
| C20 | C21 | C22 | 120.7° | 120.1° |
| C20 | C21 | H21 | 119.7° | 120.0° |
| C20 | C36 | C24 | 121.8° | 120.1° |
| C20 | C36 | H36 | 119.1° | 120.0° |
| C22 | C21 | H21 | 119.7° | 120.0° |
| C21 | C22 | C23 | 118.5° | 119.8° |
| C21 | C22 | H22 | 120.7° | 120.1° |
| C23 | C22 | H22 | 120.7° | 120.1° |
| C22 | C23 | C24 | 122.8° | 120.5° |
| C22 | C23 | C28 | 130.9° | 133.2° |
| C24 | C23 | C28 | 106.3° | 106.3° |
| C23 | C24 | C36 | 117.1° | 119.1° |
| C23 | C24 | N25 | 111.1° | 109.2° |
| C23 | C28 | C26 | 103.4° | 105.1° |
| C23 | C28 | C29 | 121.8° | 127.4° |
| C36 | C24 | N25 | 131.8° | 131.7° |
| C24 | C36 | H36 | 119.1° | 119.9° |
| C24 | N25 | C26 | 108.4° | 111.3° |
| C24 | N25 | HN25 | 125.8° | 124.3° |
| C26 | N25 | HN25 | 125.8° | 124.4° |
| N25 | C26 | C28 | 110.8° | 108.1° |
| N25 | C26 | O27 | 124.0° | 125.9° |
| C28 | C26 | O27 | 125.2° | 126.0° |
| C26 | C28 | C29 | 134.8° | 127.5° |
| C28 | C29 | C30 | 122.3° | 120.0° |
| C28 | C29 | H29 | 118.9° | 120.1° |
| C30 | C29 | H29 | 118.8° | 120.0° |
| C29 | C30 | N34 | 123.2° | 126.3° |
| C29 | C30 | C31 | 122.5° | 126.3° |
| N34 | C30 | C31 | 114.3° | 107.4° |
| C30 | N34 | C33 | 105.3° | 108.7° |
| C30 | N34 | HN34 | 127.3° | 125.7° |
| C30 | C31 | C32 | 102.6° | 107.0° |
| C30 | C31 | H31 | 128.7° | 126.4° |
| C32 | C31 | H31 | 128.7° | 126.5° |
| C31 | C32 | C33 | 108.6° | 107.9° |
| C31 | C32 | H32 | 125.7° | 126.0° |
| C33 | C32 | H32 | 125.7° | 126.1° |
| C32 | C33 | N34 | 109.2° | 108.9° |
| C32 | C33 | H33 | 125.4° | 125.5° |
| N34 | C33 | H33 | 125.4° | 125.6° |
| C33 | N34 | HN34 | 127.4° | 125.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C2 | C5 | F4 | 119.7° | 120.0° |
| F1 | C2 | C5 | F3 | 118.2° | 119.9° |
| F1 | C2 | F4 | F3 | 120.7° | 120.0° |
| F1 | C2 | C5 | C6 | 27.6° | 89.7° |
| F1 | C2 | C5 | C38 | 151.5° | 90.0° |
| C5 | C2 | F4 | F3 | 123.6° | 120.0° |
| C2 | C5 | C6 | C38 | 179.1° | 179.7° |
| C2 | C5 | C6 | C7 | 179.6° | 180.0° |
| C2 | C5 | C6 | H6 | 0.4° | 0.0° |
| C2 | C5 | C38 | C9 | 179.3° | 179.7° |
| C2 | C5 | C38 | H38 | 0.7° | 0.0° |
| F4 | C2 | C5 | C6 | 92.1° | 30.3° |
| F4 | C2 | C5 | C38 | 88.8° | 150.0° |
| F3 | C2 | C5 | C6 | 145.8° | 150.3° |
| F3 | C2 | C5 | C38 | 33.3° | 30.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.2° | 0.0° |
| C5 | C6 | C7 | H7 | 179.8° | 179.9° |
| C6 | C5 | C38 | C9 | 0.2° | 0.6° |
| C6 | C5 | C38 | H38 | 179.8° | 179.7° |
| C38 | C5 | C6 | C7 | 0.5° | 0.3° |
| C38 | C5 | C6 | H6 | 179.5° | 179.8° |
| C5 | C38 | C9 | C8 | 0.4° | 0.5° |
| C5 | C38 | C9 | H38 | 180.0° | 179.7° |
| C5 | C38 | C9 | N10 | 178.5° | 179.7° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.4° | 0.0° |
| C6 | C7 | C8 | H8 | 179.6° | 180.0° |
| H6 | C6 | C7 | C8 | 179.8° | 179.9° |
| H6 | C6 | C7 | H7 | 0.2° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C38 | 0.7° | 0.2° |
| C7 | C8 | C9 | N10 | 179.0° | 180.0° |
| H7 | C7 | C8 | C9 | 179.6° | 180.0° |
| H7 | C7 | C8 | H8 | 0.4° | 0.1° |
| C8 | C9 | C38 | N10 | 178.1° | 179.8° |
| C8 | C9 | N10 | C11 | 163.0° | 32.6° |
| C8 | C9 | N10 | HN10 | 17.0° | 147.4° |
| C8 | C9 | C38 | H38 | 179.6° | 179.8° |
| H8 | C8 | C9 | C38 | 179.3° | 179.7° |
| H8 | C8 | C9 | N10 | 1.1° | 0.0° |
| C38 | C9 | N10 | C11 | 15.2° | 147.2° |
| C38 | C9 | N10 | HN10 | 164.9° | 32.8° |
| C9 | N10 | C11 | HN10 | 180.0° | 180.0° |
| C9 | N10 | C11 | O12 | 2.0° | 4.9° |
| C9 | N10 | C11 | N13 | 179.5° | 175.2° |
| N10 | C9 | C38 | H38 | 1.5° | 0.0° |
| N10 | C11 | O12 | N13 | 178.4° | 179.9° |
| N10 | C11 | N13 | C14 | 178.4° | 175.0° |
| N10 | C11 | N13 | HN13 | 1.6° | 5.1° |
| HN10 | N10 | C11 | O12 | 178.0° | 175.1° |
| HN10 | N10 | C11 | N13 | 0.5° | 4.8° |
| O12 | C11 | N13 | C14 | 3.0° | 4.9° |
| O12 | C11 | N13 | HN13 | 177.0° | 175.0° |
| C11 | N13 | C14 | HN13 | 180.0° | 179.9° |
| C11 | N13 | C14 | C15 | 129.0° | 144.6° |
| C11 | N13 | C14 | C37 | 51.3° | 35.6° |
| N13 | C14 | C15 | C37 | 179.6° | 179.8° |
| N13 | C14 | C15 | C16 | 180.0° | 180.0° |
| N13 | C14 | C15 | H15 | 0.0° | 0.0° |
| N13 | C14 | C37 | C18 | 179.8° | 179.7° |
| N13 | C14 | C37 | H37 | 0.2° | 0.1° |
| HN13 | N13 | C14 | C15 | 51.0° | 35.5° |
| HN13 | N13 | C14 | C37 | 128.7° | 144.3° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 1.1° | 0.0° |
| C14 | C15 | C16 | H16 | 178.9° | 179.9° |
| C15 | C14 | C37 | C18 | 0.2° | 0.5° |
| C15 | C14 | C37 | H37 | 179.8° | 179.8° |
| C37 | C14 | C15 | C16 | 0.4° | 0.2° |
| C37 | C14 | C15 | H15 | 179.6° | 179.8° |
| C14 | C37 | C18 | C17 | 0.7° | 0.6° |
| C14 | C37 | C18 | H37 | 180.0° | 179.7° |
| C14 | C37 | C18 | N19 | 179.5° | 179.7° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.7° | 0.0° |
| C15 | C16 | C17 | H17 | 178.3° | 180.0° |
| H15 | C15 | C16 | C17 | 178.9° | 180.0° |
| H15 | C15 | C16 | H16 | 1.1° | 0.1° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C37 | 1.5° | 0.3° |
| C16 | C17 | C18 | N19 | 178.8° | 180.0° |
| H16 | C16 | C17 | C18 | 178.3° | 180.0° |
| H16 | C16 | C17 | H17 | 1.7° | 0.0° |
| C17 | C18 | C37 | N19 | 179.8° | 179.7° |
| C17 | C18 | N19 | C20 | 29.8° | 31.0° |
| C17 | C18 | N19 | HN19 | 150.2° | 149.1° |
| C17 | C18 | C37 | H37 | 179.2° | 179.7° |
| H17 | C17 | C18 | C37 | 178.5° | 179.7° |
| H17 | C17 | C18 | N19 | 1.3° | 0.0° |
| C37 | C18 | N19 | C20 | 150.5° | 149.3° |
| C37 | C18 | N19 | HN19 | 29.5° | 30.7° |
| C18 | N19 | C20 | HN19 | 180.0° | 180.0° |
| C18 | N19 | C20 | C21 | 4.6° | 148.9° |
| C18 | N19 | C20 | C36 | 174.6° | 31.4° |
| N19 | C18 | C37 | H37 | 0.5° | 0.0° |
| N19 | C20 | C21 | C36 | 179.1° | 179.7° |
| N19 | C20 | C21 | C22 | 178.6° | 180.0° |
| N19 | C20 | C21 | H21 | 1.4° | 0.0° |
| N19 | C20 | C36 | C24 | 178.0° | 179.8° |
| N19 | C20 | C36 | H36 | 2.0° | 0.0° |
| HN19 | N19 | C20 | C21 | 175.5° | 31.1° |
| HN19 | N19 | C20 | C36 | 5.4° | 148.6° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.3° | 0.0° |
| C20 | C21 | C22 | H22 | 179.7° | 180.0° |
| C21 | C20 | C36 | C24 | 1.2° | 0.5° |
| C21 | C20 | C36 | H36 | 178.8° | 179.7° |
| C36 | C20 | C21 | C22 | 0.5° | 0.2° |
| C36 | C20 | C21 | H21 | 179.5° | 179.8° |
| C20 | C36 | C24 | C23 | 1.5° | 0.5° |
| C20 | C36 | C24 | H36 | 180.0° | 179.7° |
| C20 | C36 | C24 | N25 | 180.0° | 179.8° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.7° | 0.0° |
| C21 | C22 | C23 | C28 | 179.6° | 180.0° |
| H21 | C21 | C22 | C23 | 179.7° | 180.0° |
| H21 | C21 | C22 | H22 | 0.3° | 0.0° |
| C22 | C23 | C24 | C28 | 179.1° | 179.9° |
| C22 | C23 | C24 | C36 | 1.3° | 0.3° |
| C22 | C23 | C24 | N25 | 179.9° | 180.0° |
| C22 | C23 | C28 | C26 | 179.4° | 180.0° |
| C22 | C23 | C28 | C29 | 1.2° | 0.0° |
| H22 | C22 | C23 | C24 | 179.3° | 179.9° |
| H22 | C22 | C23 | C28 | 0.4° | 0.0° |
| C23 | C24 | C36 | N25 | 178.5° | 179.6° |
| C23 | C24 | N25 | C26 | 0.5° | 0.0° |
| C23 | C24 | N25 | HN25 | 179.6° | 180.0° |
| C24 | C23 | C28 | C26 | 1.6° | 0.0° |
| C24 | C23 | C28 | C29 | 179.8° | 180.0° |
| C23 | C24 | C36 | H36 | 178.4° | 179.7° |
| C28 | C23 | C24 | C36 | 179.6° | 179.8° |
| C28 | C23 | C24 | N25 | 0.8° | 0.0° |
| C23 | C28 | C26 | N25 | 1.9° | 0.0° |
| C23 | C28 | C26 | C29 | 177.8° | 180.0° |
| C23 | C28 | C26 | O27 | 179.8° | 180.0° |
| C23 | C28 | C29 | C30 | 179.9° | 160.7° |
| C23 | C28 | C29 | H29 | 0.1° | 19.3° |
| C36 | C24 | N25 | C26 | 178.1° | 179.7° |
| C36 | C24 | N25 | HN25 | 1.9° | 0.3° |
| C24 | N25 | C26 | HN25 | 180.0° | 180.0° |
| C24 | N25 | C26 | C28 | 1.5° | 0.0° |
| C24 | N25 | C26 | O27 | 179.8° | 180.0° |
| N25 | C24 | C36 | H36 | 0.1° | 0.1° |
| N25 | C26 | C28 | O27 | 178.2° | 180.0° |
| N25 | C26 | C28 | C29 | 179.8° | 180.0° |
| HN25 | N25 | C26 | C28 | 178.5° | 180.0° |
| HN25 | N25 | C26 | O27 | 0.2° | 0.0° |
| C26 | C28 | C29 | C30 | 2.4° | 19.3° |
| C26 | C28 | C29 | H29 | 177.6° | 160.7° |
| O27 | C26 | C28 | C29 | 2.0° | 0.0° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | N34 | 1.7° | 15.0° |
| C28 | C29 | C30 | C31 | 179.7° | 164.7° |
| C29 | C30 | N34 | C31 | 178.6° | 179.8° |
| C29 | C30 | C31 | C32 | 179.4° | 180.0° |
| C29 | C30 | C31 | H31 | 0.7° | 0.0° |
| C29 | C30 | N34 | C33 | 179.3° | 179.9° |
| C29 | C30 | N34 | HN34 | 0.7° | 0.1° |
| H29 | C29 | C30 | N34 | 178.3° | 165.0° |
| H29 | C29 | C30 | C31 | 0.3° | 15.3° |
| N34 | C30 | C31 | C32 | 0.7° | 0.2° |
| N34 | C30 | C31 | H31 | 179.3° | 179.8° |
| C30 | N34 | C33 | C32 | 0.3° | 0.4° |
| C30 | N34 | C33 | HN34 | 180.0° | 179.8° |
| C30 | N34 | C33 | H33 | 179.7° | 179.8° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.5° | 0.0° |
| C30 | C31 | C32 | H32 | 179.5° | 180.0° |
| C31 | C30 | N34 | C33 | 0.7° | 0.4° |
| C31 | C30 | N34 | HN34 | 179.4° | 179.8° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | N34 | 0.2° | 0.3° |
| C31 | C32 | C33 | H33 | 179.8° | 180.0° |
| H31 | C31 | C32 | C33 | 179.5° | 180.0° |
| H31 | C31 | C32 | H32 | 0.5° | 0.0° |
| C32 | C33 | N34 | H33 | 180.0° | 179.8° |
| C32 | C33 | N34 | HN34 | 179.7° | 179.8° |
| H32 | C32 | C33 | N34 | 179.8° | 179.8° |
| H32 | C32 | C33 | H33 | 0.2° | 0.0° |
| H33 | C33 | N34 | HN34 | 0.2° | 0.0° |
