4E8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | doub | 1.30Å | 1.34Å | Aromatic |
| N01 | C05 | sing | 1.34Å | 1.37Å | Aromatic |
| C02 | N03 | sing | 1.36Å | 1.33Å | Aromatic |
| N03 | C04 | sing | 1.37Å | 1.34Å | Aromatic |
| N03 | C12 | sing | 1.39Å | 1.35Å | |
| C04 | C05 | doub | 1.35Å | 1.39Å | Aromatic |
| C1' | C2' | doub | 1.38Å | 1.40Å | Aromatic |
| C1' | C22 | sing | 1.51Å | 1.51Å | |
| C1' | C6' | sing | 1.38Å | 1.41Å | Aromatic |
| N11 | C12 | doub | 1.32Å | 1.36Å | Aromatic |
| N11 | C16 | sing | 1.32Å | 1.35Å | Aromatic |
| C12 | N13 | sing | 1.32Å | 1.37Å | Aromatic |
| N13 | C14 | doub | 1.32Å | 1.35Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C17 | sing | 1.51Å | 1.49Å | |
| C15 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | N19 | sing | 1.47Å | 1.47Å | |
| N19 | C20 | sing | 1.47Å | 1.50Å | |
| C2' | C3' | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | 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 | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| N19 | HN19 | sing | 1.01Å | 1.00Å | |
| 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 | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | 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 | 106.5° | 109.4° |
| N01 | C02 | N03 | 106.2° | 108.6° |
| N01 | C02 | H02 | 126.9° | 125.7° |
| N01 | C05 | C04 | 111.2° | 108.2° |
| N01 | C05 | H05 | 124.4° | 125.8° |
| C02 | N03 | C04 | 115.2° | 107.0° |
| C02 | N03 | C12 | 120.5° | 126.5° |
| N03 | C02 | H02 | 126.9° | 125.7° |
| C04 | N03 | C12 | 124.2° | 126.5° |
| N03 | C04 | C05 | 100.8° | 106.8° |
| N03 | C04 | H04 | 129.6° | 126.6° |
| N03 | C12 | N11 | 118.8° | 119.2° |
| N03 | C12 | N13 | 122.0° | 119.2° |
| C05 | C04 | H04 | 129.6° | 126.6° |
| C04 | C05 | H05 | 124.4° | 125.9° |
| C2' | C1' | C22 | 116.2° | 120.0° |
| C2' | C1' | C6' | 120.2° | 120.0° |
| C1' | C2' | C3' | 120.0° | 119.9° |
| C1' | C2' | H2' | 120.0° | 120.0° |
| C22 | C1' | C6' | 123.7° | 120.0° |
| C1' | C22 | C21 | 113.9° | 109.5° |
| C1' | C22 | H22 | 108.3° | 109.5° |
| C1' | C22 | H22A | 108.3° | 109.5° |
| C1' | C6' | C5' | 120.9° | 120.1° |
| C1' | C6' | H6' | 119.6° | 120.0° |
| C12 | N11 | C16 | 122.6° | 120.7° |
| N11 | C12 | N13 | 119.1° | 121.7° |
| N11 | C16 | C15 | 118.7° | 119.2° |
| N11 | C16 | H16 | 120.6° | 120.4° |
| C12 | N13 | C14 | 119.2° | 120.7° |
| N13 | C14 | C15 | 121.4° | 119.2° |
| N13 | C14 | C17 | 120.4° | 120.4° |
| C15 | C14 | C17 | 118.2° | 120.4° |
| C14 | C15 | C16 | 118.9° | 118.5° |
| C14 | C15 | H15 | 120.5° | 120.7° |
| C14 | C17 | C18 | 107.0° | 109.5° |
| C14 | C17 | H17 | 110.1° | 109.5° |
| C14 | C17 | H17A | 110.1° | 109.5° |
| C16 | C15 | H15 | 120.5° | 120.8° |
| C15 | C16 | H16 | 120.7° | 120.4° |
| C17 | C18 | N19 | 110.5° | 109.5° |
| C18 | C17 | H17 | 110.1° | 109.5° |
| C18 | C17 | H17A | 110.1° | 109.5° |
| C17 | C18 | H18 | 109.2° | 109.5° |
| C17 | C18 | H18A | 109.2° | 109.5° |
| C18 | N19 | C20 | 108.8° | 111.1° |
| N19 | C18 | H18 | 109.2° | 109.4° |
| N19 | C18 | H18A | 109.2° | 109.5° |
| C18 | N19 | HN19 | 109.6° | 111.0° |
| N19 | C20 | C21 | 111.7° | 109.5° |
| C20 | N19 | HN19 | 109.6° | 111.0° |
| N19 | C20 | H20 | 108.9° | 109.5° |
| N19 | C20 | H20A | 108.9° | 109.4° |
| C2' | C3' | C4' | 120.0° | 120.0° |
| C2' | C3' | F7' | 116.8° | 120.0° |
| C3' | C2' | H2' | 120.0° | 120.0° |
| C20 | C21 | C22 | 106.5° | 109.5° |
| C21 | C20 | H20 | 108.9° | 109.5° |
| C21 | C20 | H20A | 108.9° | 109.5° |
| C20 | C21 | H21 | 110.2° | 109.5° |
| C20 | C21 | H21A | 110.2° | 109.4° |
| C22 | C21 | H21 | 110.2° | 109.5° |
| C22 | C21 | H21A | 110.2° | 109.5° |
| C21 | C22 | H22 | 108.4° | 109.5° |
| C21 | C22 | H22A | 108.4° | 109.5° |
| C4' | C3' | F7' | 123.2° | 120.0° |
| C3' | C4' | C5' | 120.4° | 119.9° |
| C3' | C4' | H4' | 119.8° | 120.0° |
| C4' | C5' | C6' | 118.6° | 120.0° |
| C5' | C4' | H4' | 119.8° | 120.0° |
| C4' | C5' | H5' | 120.7° | 120.0° |
| C6' | C5' | H5' | 120.7° | 120.0° |
| C5' | C6' | H6' | 119.6° | 120.0° |
| H17 | C17 | H17A | 109.5° | 109.4° |
| H18 | C18 | H18A | 109.5° | 109.5° |
| H20 | C20 | H20A | 109.5° | 109.4° |
| H21 | C21 | H21A | 109.5° | 109.4° |
| H22 | C22 | H22A | 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° | 179.9° |
| N01 | C02 | N03 | C04 | 2.2° | 0.0° |
| N01 | C02 | N03 | C12 | 176.8° | 179.9° |
| C02 | N01 | C05 | C04 | 2.8° | 0.0° |
| C02 | N01 | C05 | H05 | 177.2° | 180.0° |
| C05 | N01 | C02 | N03 | 2.9° | 0.0° |
| N01 | C05 | C04 | N03 | 1.5° | 0.0° |
| N01 | C05 | C04 | H05 | 180.0° | 180.0° |
| C05 | N01 | C02 | H02 | 177.1° | 180.0° |
| N01 | C05 | C04 | H04 | 178.5° | 179.9° |
| C02 | N03 | C04 | C12 | 179.0° | 180.0° |
| C02 | N03 | C04 | C05 | 0.5° | 0.0° |
| C02 | N03 | C12 | N11 | 171.0° | 180.0° |
| C02 | N03 | C12 | N13 | 3.9° | 0.0° |
| C02 | N03 | C04 | H04 | 179.5° | 179.9° |
| N03 | C04 | C05 | H04 | 180.0° | 179.9° |
| C04 | N03 | C12 | N11 | 7.9° | 0.1° |
| C04 | N03 | C12 | N13 | 177.1° | 180.0° |
| C04 | N03 | C02 | H02 | 177.8° | 180.0° |
| N03 | C04 | C05 | H05 | 178.5° | 180.0° |
| C12 | N03 | C04 | C05 | 178.5° | 180.0° |
| N03 | C12 | N11 | N13 | 175.1° | 179.9° |
| N03 | C12 | N11 | C16 | 177.5° | 180.0° |
| N03 | C12 | N13 | C14 | 177.9° | 180.0° |
| C12 | N03 | C02 | H02 | 3.2° | 0.0° |
| C12 | N03 | C04 | H04 | 1.5° | 0.0° |
| C2' | C1' | C22 | C6' | 179.5° | 179.7° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C2' | C1' | C22 | C21 | 102.6° | 90.0° |
| C1' | C2' | C3' | C4' | 0.4° | 0.0° |
| C1' | C2' | C3' | F7' | 179.9° | 180.0° |
| C2' | C1' | C6' | C5' | 0.5° | 0.5° |
| C2' | C1' | C22 | H22 | 136.7° | 150.0° |
| C2' | C1' | C22 | H22A | 18.0° | 30.0° |
| C2' | C1' | C6' | H6' | 179.5° | 180.0° |
| C22 | C1' | C2' | C3' | 180.0° | 180.0° |
| C1' | C22 | C21 | C20 | 170.1° | 180.0° |
| C1' | C22 | C21 | H22 | 120.7° | 120.0° |
| C1' | C22 | C21 | H22A | 120.6° | 120.0° |
| C22 | C1' | C6' | C5' | 180.0° | 179.8° |
| C22 | C1' | C2' | H2' | 0.0° | 0.0° |
| C1' | C22 | C21 | H21 | 50.6° | 60.0° |
| C1' | C22 | C21 | H21A | 70.4° | 60.0° |
| C1' | C22 | H22 | H22A | 118.0° | 120.0° |
| C22 | C1' | C6' | H6' | 0.0° | 0.3° |
| C6' | C1' | C2' | C3' | 0.5° | 0.3° |
| C6' | C1' | C22 | C21 | 77.9° | 89.7° |
| C1' | C6' | C5' | C4' | 0.3° | 0.5° |
| C1' | C6' | C5' | H6' | 180.0° | 179.5° |
| C6' | C1' | C2' | H2' | 179.5° | 179.7° |
| C6' | C1' | C22 | H22 | 42.8° | 30.3° |
| C6' | C1' | C22 | H22A | 161.5° | 150.3° |
| C1' | C6' | C5' | H5' | 179.7° | 179.7° |
| N11 | C12 | N13 | C14 | 3.0° | 0.1° |
| C12 | N11 | C16 | C15 | 1.2° | 0.1° |
| C12 | N11 | C16 | H16 | 178.8° | 179.9° |
| C16 | N11 | C12 | N13 | 2.4° | 0.1° |
| N11 | C16 | C15 | C14 | 0.7° | 0.0° |
| N11 | C16 | C15 | H16 | 180.0° | 180.0° |
| N11 | C16 | C15 | H15 | 179.4° | 180.0° |
| C12 | N13 | C14 | C15 | 2.6° | 0.0° |
| C12 | N13 | C14 | C17 | 176.5° | 180.0° |
| N13 | C14 | C15 | C17 | 179.1° | 180.0° |
| N13 | C14 | C15 | C16 | 1.4° | 0.0° |
| N13 | C14 | C17 | C18 | 52.4° | 55.0° |
| N13 | C14 | C15 | H15 | 178.6° | 180.0° |
| N13 | C14 | C17 | H17 | 172.0° | 65.0° |
| N13 | C14 | C17 | H17A | 67.2° | 175.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C15 | C14 | C17 | C18 | 126.8° | 125.0° |
| C14 | C15 | C16 | H16 | 179.3° | 180.0° |
| C15 | C14 | C17 | H17 | 7.2° | 115.0° |
| C15 | C14 | C17 | H17A | 113.7° | 5.0° |
| C17 | C14 | C15 | C16 | 177.7° | 180.0° |
| C14 | C17 | C18 | H17 | 119.6° | 120.0° |
| C14 | C17 | C18 | H17A | 119.6° | 120.0° |
| C14 | C17 | C18 | N19 | 164.1° | 180.0° |
| C17 | C14 | C15 | H15 | 2.3° | 0.0° |
| C14 | C17 | H17 | H17A | 121.1° | 120.0° |
| C14 | C17 | C18 | H18 | 43.9° | 60.0° |
| C14 | C17 | C18 | H18A | 75.7° | 60.0° |
| C17 | C18 | N19 | H18 | 120.1° | 120.0° |
| C17 | C18 | N19 | H18A | 120.2° | 120.0° |
| C17 | C18 | N19 | C20 | 64.3° | 180.0° |
| C18 | C17 | H17 | H17A | 121.1° | 120.0° |
| C17 | C18 | H18 | H18A | 119.5° | 120.0° |
| C17 | C18 | N19 | HN19 | 55.6° | 56.0° |
| C18 | N19 | C20 | HN19 | 119.9° | 124.0° |
| C18 | N19 | C20 | C21 | 177.3° | 180.0° |
| N19 | C18 | C17 | H17 | 76.3° | 59.9° |
| N19 | C18 | C17 | H17A | 44.5° | 60.0° |
| N19 | C18 | H18 | H18A | 119.5° | 120.0° |
| C18 | N19 | C20 | H20 | 57.0° | 60.0° |
| C18 | N19 | C20 | H20A | 62.4° | 60.0° |
| N19 | C20 | C21 | H20 | 120.3° | 120.0° |
| N19 | C20 | C21 | H20A | 120.3° | 120.0° |
| N19 | C20 | C21 | C22 | 85.0° | 180.0° |
| C20 | N19 | C18 | H18 | 175.5° | 60.0° |
| C20 | N19 | C18 | H18A | 55.8° | 60.0° |
| N19 | C20 | H20 | H20A | 119.0° | 119.9° |
| N19 | C20 | C21 | H21 | 155.5° | 60.0° |
| N19 | C20 | C21 | H21A | 34.5° | 60.0° |
| C2' | C3' | C4' | F7' | 179.7° | 180.0° |
| C2' | C3' | C4' | C5' | 0.2° | 0.0° |
| C2' | C3' | C4' | H4' | 179.8° | 180.0° |
| C20 | C21 | C22 | H21 | 119.5° | 120.0° |
| C20 | C21 | C22 | H21A | 119.5° | 120.0° |
| C21 | C20 | N19 | HN19 | 62.8° | 56.0° |
| C21 | C20 | H20 | H20A | 119.0° | 120.0° |
| C20 | C21 | H21 | H21A | 121.4° | 120.0° |
| C20 | C21 | C22 | H22 | 49.4° | 60.0° |
| C20 | C21 | C22 | H22A | 69.3° | 60.0° |
| C22 | C21 | C20 | H20 | 35.3° | 60.0° |
| C22 | C21 | C20 | H20A | 154.7° | 60.0° |
| C22 | C21 | H21 | H21A | 121.4° | 120.0° |
| C21 | C22 | H22 | H22A | 118.0° | 120.0° |
| C3' | C4' | C5' | H4' | 180.0° | 180.0° |
| C3' | C4' | C5' | C6' | 0.1° | 0.2° |
| C4' | C3' | C2' | H2' | 179.6° | 180.0° |
| C3' | C4' | C5' | H5' | 179.8° | 179.9° |
| F7' | C3' | C4' | C5' | 179.9° | 180.0° |
| F7' | C3' | C2' | H2' | 0.1° | 0.0° |
| F7' | C3' | C4' | H4' | 0.1° | 0.0° |
| C4' | C5' | C6' | H5' | 180.0° | 179.8° |
| C4' | C5' | C6' | H6' | 179.7° | 180.0° |
| C6' | C5' | C4' | H4' | 179.8° | 179.8° |
| H04 | C04 | C05 | H05 | 1.5° | 0.1° |
| H15 | C15 | C16 | H16 | 0.6° | 0.0° |
| H17 | C17 | C18 | H18 | 163.6° | 179.9° |
| H17 | C17 | C18 | H18A | 43.9° | 60.0° |
| H17A | C17 | C18 | H18 | 75.6° | 60.0° |
| H17A | C17 | C18 | H18A | 164.7° | NaN° |
| H18 | C18 | N19 | HN19 | 64.6° | 176.0° |
| H18A | C18 | N19 | HN19 | 175.7° | 64.0° |
| HN19 | N19 | C20 | H20 | 176.8° | 176.1° |
| HN19 | N19 | C20 | H20A | 57.5° | 64.0° |
| H20 | C20 | C21 | H21 | 84.2° | 180.0° |
| H20 | C20 | C21 | H21A | 154.8° | 60.1° |
| H20A | C20 | C21 | H21 | 35.2° | 60.0° |
| H20A | C20 | C21 | H21A | 85.8° | 180.0° |
| H21 | C21 | C22 | H22 | 70.1° | 60.0° |
| H21 | C21 | C22 | H22A | 171.2° | 180.0° |
| H21A | C21 | C22 | H22 | 168.9° | 180.0° |
| H21A | C21 | C22 | H22A | 50.2° | 60.0° |
| H4' | C4' | C5' | H5' | 0.2° | 0.1° |
| H5' | C5' | C6' | H6' | 0.4° | 0.2° |
