S8F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | doub | 1.30Å | 1.33Å | Aromatic |
| N01 | C05 | sing | 1.34Å | 1.36Å | Aromatic |
| C02 | N03 | sing | 1.36Å | 1.33Å | Aromatic |
| N03 | C04 | sing | 1.37Å | 1.32Å | Aromatic |
| N03 | C12 | sing | 1.40Å | 1.35Å | |
| C04 | C05 | doub | 1.35Å | 1.38Å | Aromatic |
| C1' | C2' | doub | 1.38Å | 1.40Å | Aromatic |
| C1' | C21 | sing | 1.51Å | 1.51Å | |
| C1' | C6' | sing | 1.38Å | 1.42Å | Aromatic |
| N11 | C12 | doub | 1.32Å | 1.35Å | Aromatic |
| N11 | C16 | sing | 1.32Å | 1.36Å | Aromatic |
| C12 | N13 | sing | 1.32Å | 1.35Å | Aromatic |
| N13 | C14 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | C17 | sing | 1.51Å | 1.50Å | |
| C15 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | N18 | sing | 1.47Å | 1.46Å | |
| N18 | C19 | sing | 1.47Å | 1.48Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C2' | C3' | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C3' | C4' | doub | 1.38Å | 1.42Å | Aromatic |
| C3' | F7' | sing | 1.35Å | 1.36Å | |
| C4' | C5' | sing | 1.38Å | 1.41Å | Aromatic |
| C5' | C6' | doub | 1.38Å | 1.41Å | Aromatic |
| C02 | H02 | sing | 1.08Å | 1.08Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| N18 | HN18 | sing | 1.01Å | 1.00Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.08Å | 1.08Å | |
| C5' | H5' | sing | 1.08Å | 1.08Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | N01 | C05 | 109.5° | 109.4° |
| N01 | C02 | N03 | 103.0° | 108.5° |
| N01 | C02 | H02 | 128.5° | 125.8° |
| N01 | C05 | C04 | 109.5° | 108.3° |
| N01 | C05 | H05 | 125.3° | 125.9° |
| C02 | N03 | C04 | 117.2° | 107.0° |
| C02 | N03 | C12 | 119.8° | 126.5° |
| N03 | C02 | H02 | 128.5° | 125.7° |
| C04 | N03 | C12 | 122.9° | 126.5° |
| N03 | C04 | C05 | 100.7° | 106.8° |
| N03 | C04 | H04 | 129.7° | 126.6° |
| N03 | C12 | N11 | 125.1° | 119.2° |
| N03 | C12 | N13 | 115.7° | 119.2° |
| C05 | C04 | H04 | 129.6° | 126.6° |
| C04 | C05 | H05 | 125.2° | 125.8° |
| C2' | C1' | C21 | 116.2° | 120.0° |
| C2' | C1' | C6' | 122.5° | 120.0° |
| C1' | C2' | C3' | 119.0° | 120.0° |
| C1' | C2' | H2' | 120.5° | 120.0° |
| C21 | C1' | C6' | 121.3° | 120.0° |
| C1' | C21 | C20 | 113.4° | 109.5° |
| C1' | C21 | H21 | 108.5° | 109.5° |
| C1' | C21 | H21A | 108.5° | 109.4° |
| C1' | C6' | C5' | 118.6° | 120.0° |
| C1' | C6' | H6' | 120.7° | 120.0° |
| C12 | N11 | C16 | 121.9° | 120.7° |
| N11 | C12 | N13 | 119.2° | 121.6° |
| N11 | C16 | C15 | 119.4° | 119.2° |
| N11 | C16 | H16 | 120.3° | 120.4° |
| C12 | N13 | C14 | 121.4° | 120.8° |
| N13 | C14 | C15 | 120.6° | 119.2° |
| N13 | C14 | C17 | 113.8° | 120.4° |
| C15 | C14 | C17 | 125.5° | 120.4° |
| C14 | C15 | C16 | 117.4° | 118.5° |
| C14 | C15 | H15 | 121.3° | 120.7° |
| C14 | C17 | N18 | 108.4° | 109.5° |
| C14 | C17 | H17 | 109.8° | 109.4° |
| C14 | C17 | H17A | 109.7° | 109.5° |
| C16 | C15 | H15 | 121.3° | 120.7° |
| C15 | C16 | H16 | 120.3° | 120.4° |
| C17 | N18 | C19 | 104.7° | 111.0° |
| N18 | C17 | H17 | 109.7° | 109.5° |
| N18 | C17 | H17A | 109.8° | 109.5° |
| C17 | N18 | HN18 | 110.6° | 111.0° |
| N18 | C19 | C20 | 111.5° | 109.4° |
| C19 | N18 | HN18 | 110.6° | 111.0° |
| N18 | C19 | H19 | 109.0° | 109.5° |
| N18 | C19 | H19A | 109.0° | 109.5° |
| C19 | C20 | C21 | 105.5° | 109.4° |
| C20 | C19 | H19 | 109.0° | 109.4° |
| C20 | C19 | H19A | 109.0° | 109.5° |
| C19 | C20 | H20 | 110.4° | 109.4° |
| C19 | C20 | H20A | 110.5° | 109.4° |
| C2' | C3' | C4' | 119.4° | 119.9° |
| C2' | C3' | F7' | 119.2° | 120.0° |
| C3' | C2' | H2' | 120.5° | 120.0° |
| C21 | C20 | H20 | 110.5° | 109.5° |
| C21 | C20 | H20A | 110.4° | 109.5° |
| C20 | C21 | H21 | 108.4° | 109.5° |
| C20 | C21 | H21A | 108.5° | 109.5° |
| C4' | C3' | F7' | 121.4° | 120.0° |
| C3' | C4' | C5' | 121.5° | 120.0° |
| C3' | C4' | H4' | 119.3° | 120.0° |
| C4' | C5' | C6' | 119.1° | 120.0° |
| C5' | C4' | H4' | 119.2° | 120.0° |
| C4' | C5' | H5' | 120.5° | 120.0° |
| C6' | C5' | H5' | 120.5° | 120.0° |
| C5' | C6' | H6' | 120.7° | 120.0° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| H19 | C19 | H19A | 109.5° | 109.5° |
| H20 | C20 | H20A | 109.4° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | N03 | H02 | 180.0° | 180.0° |
| N01 | C02 | N03 | C04 | 2.6° | 0.0° |
| N01 | C02 | N03 | C12 | 178.6° | 180.0° |
| C02 | N01 | C05 | C04 | 0.5° | 0.0° |
| C02 | N01 | C05 | H05 | 179.5° | 180.0° |
| C05 | N01 | C02 | N03 | 1.7° | 0.0° |
| N01 | C05 | C04 | N03 | 1.0° | 0.0° |
| N01 | C05 | C04 | H05 | 180.0° | 180.0° |
| C05 | N01 | C02 | H02 | 178.3° | 180.0° |
| N01 | C05 | C04 | H04 | 179.0° | 180.0° |
| C02 | N03 | C04 | C12 | 175.9° | 180.0° |
| C02 | N03 | C04 | C05 | 2.2° | 0.0° |
| C02 | N03 | C12 | N11 | 169.8° | 180.0° |
| C02 | N03 | C12 | N13 | 10.7° | 0.1° |
| C02 | N03 | C04 | H04 | 177.8° | 180.0° |
| N03 | C04 | C05 | H04 | 180.0° | 180.0° |
| C04 | N03 | C12 | N11 | 14.3° | 0.0° |
| C04 | N03 | C12 | N13 | 165.2° | 179.9° |
| C04 | N03 | C02 | H02 | 177.4° | 180.0° |
| N03 | C04 | C05 | H05 | 179.0° | 180.0° |
| C12 | N03 | C04 | C05 | 178.2° | 180.0° |
| N03 | C12 | N11 | N13 | 179.5° | 179.9° |
| N03 | C12 | N11 | C16 | 179.5° | 180.0° |
| N03 | C12 | N13 | C14 | 179.4° | 180.0° |
| C12 | N03 | C02 | H02 | 1.4° | 0.0° |
| C12 | N03 | C04 | H04 | 1.9° | 0.0° |
| C2' | C1' | C21 | C6' | 178.5° | 179.7° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C2' | C1' | C21 | C20 | 135.3° | 90.0° |
| C1' | C2' | C3' | C4' | 0.5° | 0.1° |
| C1' | C2' | C3' | F7' | 179.3° | 179.9° |
| C2' | C1' | C6' | C5' | 0.5° | 0.5° |
| C2' | C1' | C21 | H21 | 104.1° | 150.0° |
| C2' | C1' | C21 | H21A | 14.7° | 30.0° |
| C2' | C1' | C6' | H6' | 179.5° | 180.0° |
| C1' | C21 | C20 | C19 | 116.3° | 180.0° |
| C21 | C1' | C2' | C3' | 179.4° | 180.0° |
| C1' | C21 | C20 | H21 | 120.6° | 120.0° |
| C1' | C21 | C20 | H21A | 120.6° | 119.9° |
| C21 | C1' | C6' | C5' | 178.9° | 179.8° |
| C21 | C1' | C2' | H2' | 0.6° | 0.0° |
| C1' | C21 | C20 | H20 | 124.3° | 60.1° |
| C1' | C21 | C20 | H20A | 3.1° | 60.0° |
| C1' | C21 | H21 | H21A | 118.2° | 120.0° |
| C21 | C1' | C6' | H6' | 1.1° | 0.3° |
| C6' | C1' | C2' | C3' | 0.9° | 0.3° |
| C6' | C1' | C21 | C20 | 46.2° | 89.7° |
| C1' | C6' | C5' | C4' | 0.4° | 0.5° |
| C1' | C6' | C5' | H6' | 180.0° | 179.5° |
| C6' | C1' | C2' | H2' | 179.1° | 179.7° |
| C6' | C1' | C21 | H21 | 74.4° | 30.3° |
| C6' | C1' | C21 | H21A | 166.8° | 150.3° |
| C1' | C6' | C5' | H5' | 179.6° | 179.7° |
| N11 | C12 | N13 | C14 | 0.1° | 0.1° |
| C12 | N11 | C16 | C15 | 2.4° | 0.0° |
| C12 | N11 | C16 | H16 | 177.7° | 180.0° |
| C16 | N11 | C12 | N13 | 1.0° | 0.0° |
| N11 | C16 | C15 | C14 | 2.5° | 0.0° |
| N11 | C16 | C15 | H16 | 180.0° | 180.0° |
| N11 | C16 | C15 | H15 | 177.5° | 180.0° |
| C12 | N13 | C14 | C15 | 0.1° | 0.1° |
| C12 | N13 | C14 | C17 | 178.0° | 180.0° |
| N13 | C14 | C15 | C17 | 177.7° | 179.9° |
| N13 | C14 | C15 | C16 | 1.4° | 0.0° |
| N13 | C14 | C17 | N18 | 146.8° | 84.9° |
| N13 | C14 | C15 | H15 | 178.6° | 179.9° |
| N13 | C14 | C17 | H17 | 93.4° | 35.1° |
| N13 | C14 | C17 | H17A | 26.9° | 155.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C15 | C14 | C17 | N18 | 31.1° | 95.0° |
| C14 | C15 | C16 | H16 | 177.5° | 180.0° |
| C15 | C14 | C17 | H17 | 88.8° | 145.0° |
| C15 | C14 | C17 | H17A | 150.9° | 25.1° |
| C17 | C14 | C15 | C16 | 179.1° | 179.9° |
| C14 | C17 | N18 | H17 | 119.8° | 120.0° |
| C14 | C17 | N18 | H17A | 119.8° | 120.0° |
| C14 | C17 | N18 | C19 | 129.4° | 180.0° |
| C17 | C14 | C15 | H15 | 0.9° | 0.0° |
| C14 | C17 | H17 | H17A | 120.5° | 120.0° |
| C14 | C17 | N18 | HN18 | 111.3° | 56.1° |
| C17 | N18 | C19 | HN18 | 119.2° | 123.9° |
| C17 | N18 | C19 | C20 | 84.9° | 180.0° |
| N18 | C17 | H17 | H17A | 120.5° | 120.0° |
| C17 | N18 | C19 | H19 | 154.8° | 60.0° |
| C17 | N18 | C19 | H19A | 35.4° | 60.0° |
| N18 | C19 | C20 | H19 | 120.3° | 120.0° |
| N18 | C19 | C20 | H19A | 120.3° | 120.0° |
| N18 | C19 | C20 | C21 | 168.5° | 180.0° |
| C19 | N18 | C17 | H17 | 9.6° | 60.0° |
| C19 | N18 | C17 | H17A | 110.8° | 60.0° |
| N18 | C19 | H19 | H19A | 119.1° | 120.0° |
| N18 | C19 | C20 | H20 | 72.1° | 60.0° |
| N18 | C19 | C20 | H20A | 49.1° | 60.0° |
| C19 | C20 | C21 | H20 | 119.4° | 119.9° |
| C19 | C20 | C21 | H20A | 119.4° | 120.0° |
| C20 | C19 | N18 | HN18 | 34.4° | 56.1° |
| C20 | C19 | H19 | H19A | 119.1° | 120.0° |
| C19 | C20 | H20 | H20A | 121.9° | 120.0° |
| C19 | C20 | C21 | H21 | 123.1° | 60.0° |
| C19 | C20 | C21 | H21A | 4.3° | 60.0° |
| C2' | C3' | C4' | F7' | 179.8° | 179.9° |
| C2' | C3' | C4' | C5' | 0.4° | 0.1° |
| C2' | C3' | C4' | H4' | 179.7° | 180.0° |
| C21 | C20 | C19 | H19 | 48.2° | 60.1° |
| C21 | C20 | C19 | H19A | 71.2° | 60.0° |
| C21 | C20 | H20 | H20A | 121.8° | 120.1° |
| C20 | C21 | H21 | H21A | 118.2° | 120.0° |
| C3' | C4' | C5' | H4' | 180.0° | 180.0° |
| C3' | C4' | C5' | C6' | 0.8° | 0.3° |
| C4' | C3' | C2' | H2' | 179.5° | 179.9° |
| C3' | C4' | C5' | H5' | 179.2° | 180.0° |
| F7' | C3' | C4' | C5' | 179.8° | 179.9° |
| F7' | C3' | C2' | H2' | 0.7° | 0.0° |
| F7' | C3' | C4' | H4' | 0.2° | 0.1° |
| C4' | C5' | C6' | H5' | 180.0° | 179.8° |
| C4' | C5' | C6' | H6' | 179.6° | 180.0° |
| C6' | C5' | C4' | H4' | 179.2° | 179.7° |
| H04 | C04 | C05 | H05 | 1.0° | 0.1° |
| H15 | C15 | C16 | H16 | 2.5° | 0.1° |
| H17 | C17 | N18 | HN18 | 128.8° | 176.0° |
| H17A | C17 | N18 | HN18 | 8.5° | 64.0° |
| HN18 | N18 | C19 | H19 | 86.0° | 176.0° |
| HN18 | N18 | C19 | H19A | 154.6° | 63.9° |
| H19 | C19 | C20 | H20 | 167.6° | 180.0° |
| H19 | C19 | C20 | H20A | 71.2° | 59.9° |
| H19A | C19 | C20 | H20 | 48.2° | 60.0° |
| H19A | C19 | C20 | H20A | 169.4° | 180.0° |
| H20 | C20 | C21 | H21 | 3.7° | 59.9° |
| H20 | C20 | C21 | H21A | 115.1° | 180.0° |
| H20A | C20 | C21 | H21 | 117.5° | 180.0° |
| H20A | C20 | C21 | H21A | 123.7° | 59.9° |
| H4' | C4' | C5' | H5' | 0.8° | 0.0° |
| H5' | C5' | C6' | H6' | 0.4° | 0.2° |
