4F4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C19 | doub | 1.34Å | 1.44Å | Aromatic |
| C18 | C17 | sing | 1.37Å | 1.54Å | Aromatic |
| C19 | S20 | sing | 1.71Å | 1.62Å | Aromatic |
| C17 | C16 | doub | 1.37Å | 1.44Å | Aromatic |
| S20 | C16 | sing | 1.76Å | 1.61Å | Aromatic |
| C16 | C15 | sing | 1.46Å | 1.54Å | |
| C15 | N14 | sing | 1.35Å | 1.43Å | |
| C15 | O21 | doub | 1.22Å | 1.21Å | |
| N14 | C13 | sing | 1.40Å | 1.44Å | |
| C22 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| S07 | C08 | sing | 1.76Å | 1.62Å | Aromatic |
| S07 | C06 | sing | 1.76Å | 1.62Å | Aromatic |
| C08 | C09 | doub | 1.33Å | 1.44Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N03 | sing | 1.40Å | 1.45Å | |
| C24 | N25 | sing | 1.47Å | 1.43Å | |
| C24 | C02 | sing | 1.51Å | 1.52Å | |
| C09 | C05 | sing | 1.38Å | 1.54Å | Aromatic |
| C06 | C05 | doub | 1.33Å | 1.44Å | Aromatic |
| N33 | N25 | sing | 1.40Å | 1.33Å | Aromatic |
| N33 | N32 | doub | 1.29Å | 1.34Å | Aromatic |
| N25 | C26 | sing | 1.37Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.54Å | |
| N03 | C02 | sing | 1.35Å | 1.43Å | |
| N03 | C04 | sing | 1.46Å | 1.46Å | |
| C02 | O01 | doub | 1.21Å | 1.21Å | |
| N32 | C31 | sing | 1.35Å | 1.40Å | Aromatic |
| C26 | C31 | doub | 1.41Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.42Å | Aromatic |
| C31 | C30 | sing | 1.40Å | 1.42Å | Aromatic |
| C27 | C28 | doub | 1.37Å | 1.40Å | Aromatic |
| C30 | C29 | doub | 1.36Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| N14 | H8 | sing | 0.97Å | 1.00Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C17 | 109.6° | 115.1° |
| C18 | C19 | S20 | 109.7° | 110.9° |
| C19 | C18 | H10 | 125.2° | 122.4° |
| C18 | C19 | H11 | 125.2° | 124.6° |
| C18 | C17 | C16 | 109.2° | 113.3° |
| C18 | C17 | H9 | 125.4° | 123.4° |
| C17 | C18 | H10 | 125.2° | 122.5° |
| C19 | S20 | C16 | 101.2° | 91.6° |
| S20 | C19 | H11 | 125.2° | 124.5° |
| C17 | C16 | S20 | 110.3° | 109.1° |
| C17 | C16 | C15 | 124.6° | 125.5° |
| C16 | C17 | H9 | 125.4° | 123.4° |
| S20 | C16 | C15 | 125.1° | 125.5° |
| C16 | C15 | N14 | 116.3° | 120.0° |
| C16 | C15 | O21 | 121.0° | 120.0° |
| N14 | C15 | O21 | 122.7° | 120.0° |
| C15 | N14 | C13 | 123.7° | 120.0° |
| C15 | N14 | H8 | 118.2° | 120.0° |
| N14 | C13 | C22 | 118.8° | 120.0° |
| N14 | C13 | C12 | 120.0° | 120.0° |
| C13 | N14 | H8 | 118.1° | 120.0° |
| C13 | C22 | C23 | 119.0° | 120.0° |
| C22 | C13 | C12 | 121.1° | 120.0° |
| C13 | C22 | H12 | 120.5° | 120.0° |
| C22 | C23 | C10 | 119.6° | 120.0° |
| C23 | C22 | H12 | 120.5° | 120.0° |
| C22 | C23 | H13 | 120.2° | 120.0° |
| C13 | C12 | C11 | 119.7° | 120.0° |
| C13 | C12 | H7 | 120.1° | 120.1° |
| C23 | C10 | C11 | 121.2° | 120.0° |
| C23 | C10 | N03 | 121.4° | 120.0° |
| C10 | C23 | H13 | 120.2° | 120.0° |
| C12 | C11 | C10 | 119.3° | 120.0° |
| C12 | C11 | H6 | 120.4° | 120.0° |
| C11 | C12 | H7 | 120.1° | 119.9° |
| C08 | S07 | C06 | 100.8° | 91.0° |
| S07 | C08 | C09 | 110.0° | 109.6° |
| S07 | C08 | H4 | 125.0° | 125.2° |
| S07 | C06 | C05 | 110.2° | 109.6° |
| S07 | C06 | H3 | 124.9° | 125.2° |
| C08 | C09 | C05 | 109.8° | 114.9° |
| C09 | C08 | H4 | 125.0° | 125.2° |
| C08 | C09 | H5 | 125.1° | 122.6° |
| C11 | C10 | N03 | 117.4° | 120.0° |
| C10 | C11 | H6 | 120.3° | 120.0° |
| C10 | N03 | C02 | 120.6° | 120.0° |
| C10 | N03 | C04 | 118.1° | 120.0° |
| N25 | C24 | C02 | 108.8° | 109.5° |
| C24 | N25 | N33 | 125.9° | 126.7° |
| C24 | N25 | C26 | 124.7° | 126.7° |
| N25 | C24 | H14 | 109.6° | 109.5° |
| N25 | C24 | H15 | 109.6° | 109.5° |
| C24 | C02 | N03 | 118.3° | 120.0° |
| C24 | C02 | O01 | 122.8° | 120.0° |
| C02 | C24 | H14 | 109.6° | 109.4° |
| C02 | C24 | H15 | 109.6° | 109.4° |
| C09 | C05 | C06 | 109.2° | 115.0° |
| C09 | C05 | C04 | 125.6° | 122.6° |
| C05 | C09 | H5 | 125.1° | 122.5° |
| C06 | C05 | C04 | 125.2° | 122.5° |
| C05 | C06 | H3 | 124.9° | 125.2° |
| N25 | N33 | N32 | 108.5° | 109.4° |
| N33 | N25 | C26 | 109.5° | 106.5° |
| N33 | N32 | C31 | 109.2° | 110.3° |
| N25 | C26 | C31 | 106.8° | 106.0° |
| N25 | C26 | C27 | 132.8° | 134.0° |
| C05 | C04 | N03 | 107.4° | 109.5° |
| C05 | C04 | H1 | 110.0° | 109.5° |
| C05 | C04 | H2 | 110.0° | 109.4° |
| C02 | N03 | C04 | 121.3° | 120.0° |
| N03 | C02 | O01 | 118.8° | 120.0° |
| N03 | C04 | H1 | 110.0° | 109.5° |
| N03 | C04 | H2 | 110.0° | 109.5° |
| N32 | C31 | C26 | 106.0° | 107.7° |
| N32 | C31 | C30 | 134.1° | 133.2° |
| C31 | C26 | C27 | 120.5° | 119.9° |
| C26 | C31 | C30 | 119.9° | 119.2° |
| C26 | C27 | C28 | 119.6° | 119.8° |
| C26 | C27 | H16 | 120.2° | 120.1° |
| C31 | C30 | C29 | 119.6° | 119.8° |
| C31 | C30 | H19 | 120.2° | 120.1° |
| C27 | C28 | C29 | 119.8° | 120.6° |
| C28 | C27 | H16 | 120.2° | 120.1° |
| C27 | C28 | H17 | 120.1° | 119.7° |
| C30 | C29 | C28 | 120.6° | 120.7° |
| C30 | C29 | H18 | 119.7° | 119.7° |
| C29 | C30 | H19 | 120.2° | 120.1° |
| C29 | C28 | H17 | 120.1° | 119.7° |
| C28 | C29 | H18 | 119.7° | 119.6° |
| H1 | C04 | H2 | 109.4° | 109.4° |
| H14 | C24 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C17 | H10 | 180.0° | 179.8° |
| C18 | C19 | S20 | H11 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.2° | 0.1° |
| C18 | C19 | S20 | C16 | 0.1° | 0.3° |
| C19 | C18 | C17 | H9 | 179.7° | 180.0° |
| C17 | C18 | C19 | S20 | 0.2° | 0.2° |
| C18 | C17 | C16 | H9 | 180.0° | 179.9° |
| C18 | C17 | C16 | S20 | 0.2° | 0.3° |
| C18 | C17 | C16 | C15 | 179.9° | 180.0° |
| C17 | C18 | C19 | H11 | 179.9° | 179.9° |
| C19 | S20 | C16 | C17 | 0.1° | 0.3° |
| C19 | S20 | C16 | C15 | 180.0° | 180.0° |
| S20 | C19 | C18 | H10 | 179.8° | 180.0° |
| C17 | C16 | S20 | C15 | 179.9° | 179.7° |
| C17 | C16 | C15 | N14 | 17.8° | 180.0° |
| C17 | C16 | C15 | O21 | 162.7° | 0.1° |
| C16 | C17 | C18 | H10 | 179.8° | 179.7° |
| S20 | C16 | C15 | N14 | 162.1° | 0.3° |
| S20 | C16 | C15 | O21 | 17.5° | 179.7° |
| S20 | C16 | C17 | H9 | 179.8° | 179.8° |
| C16 | S20 | C19 | H11 | 180.0° | 179.8° |
| C16 | C15 | N14 | O21 | 179.5° | 180.0° |
| C16 | C15 | N14 | C13 | 178.2° | 174.9° |
| C16 | C15 | N14 | H8 | 1.8° | 5.1° |
| C15 | C16 | C17 | H9 | 0.1° | 0.1° |
| C15 | N14 | C13 | H8 | 180.0° | 180.0° |
| C15 | N14 | C13 | C22 | 150.4° | 34.4° |
| C15 | N14 | C13 | C12 | 32.8° | 145.6° |
| O21 | C15 | N14 | C13 | 2.3° | 5.0° |
| O21 | C15 | N14 | H8 | 177.7° | 175.0° |
| N14 | C13 | C22 | C12 | 176.8° | 180.0° |
| N14 | C13 | C22 | C23 | 178.7° | 179.7° |
| N14 | C13 | C12 | C11 | 178.4° | 180.0° |
| N14 | C13 | C12 | H7 | 1.6° | 0.0° |
| N14 | C13 | C22 | H12 | 1.3° | 0.0° |
| C13 | C22 | C23 | H12 | 180.0° | 179.7° |
| C13 | C22 | C23 | C10 | 1.0° | 0.6° |
| C22 | C13 | C12 | C11 | 1.6° | 0.0° |
| C22 | C13 | C12 | H7 | 178.3° | 180.0° |
| C22 | C13 | N14 | H8 | 29.6° | 145.6° |
| C13 | C22 | C23 | H13 | 179.0° | 180.0° |
| C23 | C22 | C13 | C12 | 1.9° | 0.3° |
| C22 | C23 | C10 | H13 | 180.0° | 179.5° |
| C22 | C23 | C10 | C11 | 0.2° | 0.6° |
| C22 | C23 | C10 | N03 | 178.2° | 179.7° |
| C13 | C12 | C11 | H7 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.4° | 0.0° |
| C13 | C12 | C11 | H6 | 179.6° | 180.0° |
| C12 | C13 | N14 | H8 | 147.2° | 34.4° |
| C12 | C13 | C22 | H12 | 178.1° | 180.0° |
| C23 | C10 | C11 | C12 | 0.6° | 0.3° |
| C23 | C10 | C11 | N03 | 178.0° | 179.8° |
| C23 | C10 | N03 | C02 | 86.5° | 175.3° |
| C23 | C10 | N03 | C04 | 93.8° | 4.5° |
| C23 | C10 | C11 | H6 | 179.5° | 179.8° |
| C10 | C23 | C22 | H12 | 179.0° | 179.7° |
| C12 | C11 | C10 | H6 | 180.0° | 179.9° |
| C12 | C11 | C10 | N03 | 178.6° | 179.9° |
| S07 | C08 | C09 | H4 | 180.0° | 179.8° |
| S07 | C08 | C09 | C05 | 0.2° | 0.4° |
| C08 | S07 | C06 | C05 | 0.4° | 0.0° |
| C08 | S07 | C06 | H3 | 179.6° | 180.0° |
| S07 | C08 | C09 | H5 | 179.8° | 180.0° |
| C06 | S07 | C08 | C09 | 0.3° | 0.2° |
| S07 | C06 | C05 | C09 | 0.3° | 0.3° |
| S07 | C06 | C05 | H3 | 180.0° | 180.0° |
| S07 | C06 | C05 | C04 | 178.6° | 179.9° |
| C06 | S07 | C08 | H4 | 179.7° | 180.0° |
| C08 | C09 | C05 | H5 | 180.0° | 179.5° |
| C08 | C09 | C05 | C06 | 0.0° | 0.5° |
| C08 | C09 | C05 | C04 | 178.8° | 179.7° |
| C11 | C10 | N03 | C02 | 95.5° | 4.4° |
| C11 | C10 | N03 | C04 | 84.2° | 175.7° |
| C10 | C11 | C12 | H7 | 179.6° | 180.0° |
| C11 | C10 | C23 | H13 | 179.8° | 180.0° |
| C10 | N03 | C02 | C24 | 1.0° | 174.6° |
| C10 | N03 | C04 | C05 | 54.0° | 89.5° |
| C10 | N03 | C02 | C04 | 179.7° | 179.9° |
| C10 | N03 | C02 | O01 | 179.1° | 5.5° |
| C10 | N03 | C04 | H1 | 65.6° | 150.4° |
| C10 | N03 | C04 | H2 | 173.7° | 30.5° |
| N03 | C10 | C11 | H6 | 1.4° | 0.0° |
| N03 | C10 | C23 | H13 | 1.8° | 0.2° |
| N25 | C24 | C02 | H14 | 119.9° | 120.0° |
| N25 | C24 | C02 | H15 | 119.9° | 120.0° |
| C24 | N25 | N33 | C26 | 179.9° | 179.7° |
| C24 | N25 | N33 | N32 | 179.9° | 179.9° |
| N25 | C24 | C02 | N03 | 172.6° | 174.8° |
| N25 | C24 | C02 | O01 | 7.5° | 5.1° |
| C24 | N25 | C26 | C31 | 179.8° | 180.0° |
| C24 | N25 | C26 | C27 | 0.0° | 0.1° |
| N25 | C24 | H14 | H15 | 120.3° | 120.1° |
| C02 | C24 | N25 | N33 | 87.3° | 90.3° |
| C02 | C24 | N25 | C26 | 92.7° | 90.0° |
| C24 | C02 | N03 | O01 | 179.9° | 179.9° |
| C24 | C02 | N03 | C04 | 179.3° | 5.3° |
| C02 | C24 | H14 | H15 | 120.3° | 120.0° |
| C09 | C05 | C06 | C04 | 178.9° | 179.8° |
| C09 | C05 | C04 | N03 | 79.3° | 85.9° |
| C09 | C05 | C04 | H1 | 161.0° | 154.0° |
| C09 | C05 | C04 | H2 | 40.4° | 34.1° |
| C09 | C05 | C06 | H3 | 179.7° | 179.8° |
| C05 | C09 | C08 | H4 | 179.8° | 179.8° |
| C06 | C05 | C04 | N03 | 99.3° | 94.3° |
| C06 | C05 | C04 | H1 | 20.3° | 25.8° |
| C06 | C05 | C04 | H2 | 141.0° | 145.7° |
| C06 | C05 | C09 | H5 | 180.0° | 180.0° |
| N25 | N33 | N32 | C31 | 0.4° | 0.4° |
| N33 | N25 | C26 | C31 | 0.3° | 0.3° |
| N33 | N25 | C26 | C27 | 180.0° | 179.8° |
| N33 | N25 | C24 | H14 | 152.8° | 149.7° |
| N33 | N25 | C24 | H15 | 32.6° | 29.7° |
| N32 | N33 | N25 | C26 | 0.1° | 0.4° |
| N33 | N32 | C31 | C26 | 0.6° | 0.2° |
| N33 | N32 | C31 | C30 | 179.7° | 179.7° |
| N25 | C26 | C31 | N32 | 0.5° | 0.0° |
| N25 | C26 | C31 | C27 | 179.8° | 180.0° |
| N25 | C26 | C31 | C30 | 179.7° | 180.0° |
| N25 | C26 | C27 | C28 | 179.5° | 180.0° |
| C26 | N25 | C24 | H14 | 27.1° | 29.9° |
| C26 | N25 | C24 | H15 | 147.4° | 150.0° |
| N25 | C26 | C27 | H16 | 0.6° | 0.0° |
| C05 | C04 | N03 | C02 | 126.2° | 90.4° |
| C05 | C04 | N03 | H1 | 119.7° | 120.1° |
| C05 | C04 | N03 | H2 | 119.7° | 120.0° |
| C05 | C04 | H1 | H2 | 120.9° | 119.9° |
| C04 | C05 | C06 | H3 | 1.4° | 0.0° |
| C04 | C05 | C09 | H5 | 1.2° | 0.2° |
| C02 | N03 | C04 | H1 | 114.1° | 29.7° |
| C02 | N03 | C04 | H2 | 6.6° | 149.6° |
| N03 | C02 | C24 | H14 | 52.8° | 54.8° |
| N03 | C02 | C24 | H15 | 67.5° | 65.2° |
| C04 | N03 | C02 | O01 | 0.6° | 174.6° |
| N03 | C04 | H1 | H2 | 121.0° | 120.0° |
| O01 | C02 | C24 | H14 | 127.4° | 125.1° |
| O01 | C02 | C24 | H15 | 112.4° | 114.9° |
| N32 | C31 | C26 | C30 | 179.8° | 180.0° |
| N32 | C31 | C26 | C27 | 179.7° | 180.0° |
| N32 | C31 | C30 | C29 | 179.8° | 180.0° |
| N32 | C31 | C30 | H19 | 0.2° | 0.1° |
| C31 | C26 | C27 | C28 | 0.3° | 0.0° |
| C26 | C31 | C30 | C29 | 0.5° | 0.0° |
| C31 | C26 | C27 | H16 | 179.7° | 179.9° |
| C26 | C31 | C30 | H19 | 179.5° | 180.0° |
| C27 | C26 | C31 | C30 | 0.1° | 0.0° |
| C26 | C27 | C28 | H16 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.1° | 0.0° |
| C26 | C27 | C28 | H17 | 179.9° | 179.9° |
| C31 | C30 | C29 | H19 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 0.8° | 0.0° |
| C31 | C30 | C29 | H18 | 179.1° | 180.0° |
| C27 | C28 | C29 | C30 | 0.6° | 0.0° |
| C27 | C28 | C29 | H17 | 180.0° | 179.9° |
| C27 | C28 | C29 | H18 | 179.3° | 180.0° |
| C30 | C29 | C28 | H18 | 180.0° | 180.0° |
| C30 | C29 | C28 | H17 | 179.4° | 179.9° |
| C29 | C28 | C27 | H16 | 179.9° | 179.9° |
| C28 | C29 | C30 | H19 | 179.2° | 180.0° |
| H4 | C08 | C09 | H5 | 0.2° | 0.2° |
| H6 | C11 | C12 | H7 | 0.4° | 0.0° |
| H9 | C17 | C18 | H10 | 0.3° | 0.2° |
| H10 | C18 | C19 | H11 | 0.1° | 0.2° |
| H12 | C22 | C23 | H13 | 1.0° | 0.3° |
| H16 | C27 | C28 | H17 | 0.1° | 0.0° |
| H17 | C28 | C29 | H18 | 0.7° | 0.1° |
| H18 | C29 | C30 | H19 | 0.9° | 0.0° |
