7F5
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 | 1.34Å | Aromatic |
| C02 | N03 | sing | 1.36Å | 1.34Å | Aromatic |
| C02 | H02 | sing | 1.08Å | 1.08Å | |
| N03 | C04 | sing | 1.37Å | 1.37Å | Aromatic |
| N03 | C12 | sing | 1.39Å | 1.45Å | |
| C04 | C05 | doub | 1.35Å | 1.40Å | Aromatic |
| C04 | C06 | sing | 1.51Å | 1.51Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C06 | H06 | sing | 1.09Å | 1.10Å | |
| C06 | H06A | sing | 1.09Å | 1.10Å | |
| C06 | H06B | sing | 1.09Å | 1.10Å | |
| C1' | C2' | doub | 1.38Å | 1.39Å | Aromatic |
| C1' | C22 | sing | 1.51Å | 1.53Å | |
| C1' | C6' | sing | 1.38Å | 1.40Å | Aromatic |
| N11 | C12 | doub | 1.32Å | 1.34Å | Aromatic |
| N11 | C16 | sing | 1.32Å | 1.35Å | Aromatic |
| C12 | N13 | sing | 1.32Å | 1.34Å | Aromatic |
| N13 | C14 | doub | 1.32Å | 1.36Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.43Å | Aromatic |
| C14 | C17 | sing | 1.51Å | 1.53Å | |
| C15 | C16 | doub | 1.39Å | 1.43Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | N19 | sing | 1.47Å | 1.45Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| N19 | C20 | sing | 1.47Å | 1.44Å | |
| N19 | HN19 | sing | 1.01Å | 1.00Å | |
| C2' | C3' | sing | 1.38Å | 1.39Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| 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 | |
| C3' | C4' | doub | 1.38Å | 1.39Å | Aromatic |
| C3' | F7' | sing | 1.35Å | 1.34Å | |
| C4' | C5' | sing | 1.38Å | 1.39Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.08Å | |
| C5' | C6' | doub | 1.38Å | 1.39Å | Aromatic |
| 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 | 113.1° | 109.4° |
| N01 | C02 | N03 | 105.9° | 108.6° |
| N01 | C02 | H02 | 127.0° | 125.7° |
| N01 | C05 | C04 | 104.2° | 108.2° |
| N01 | C05 | H05 | 127.9° | 125.8° |
| N03 | C02 | H02 | 127.0° | 125.7° |
| C02 | N03 | C04 | 109.6° | 107.0° |
| C02 | N03 | C12 | 126.8° | 126.5° |
| C04 | N03 | C12 | 123.6° | 126.5° |
| N03 | C04 | C05 | 107.1° | 106.8° |
| N03 | C04 | C06 | 128.3° | 126.6° |
| N03 | C12 | N11 | 118.9° | 119.2° |
| N03 | C12 | N13 | 119.5° | 119.2° |
| C05 | C04 | C06 | 124.6° | 126.5° |
| C04 | C05 | H05 | 127.9° | 125.9° |
| C04 | C06 | H06 | 109.5° | 109.5° |
| C04 | C06 | H06A | 109.5° | 109.5° |
| C04 | C06 | H06B | 109.5° | 109.5° |
| H06 | C06 | H06A | 109.5° | 109.5° |
| H06 | C06 | H06B | 109.4° | 109.5° |
| H06A | C06 | H06B | 109.5° | 109.5° |
| C2' | C1' | C22 | 119.4° | 120.0° |
| C2' | C1' | C6' | 120.0° | 120.1° |
| C1' | C2' | C3' | 119.4° | 119.9° |
| C1' | C2' | H2' | 120.3° | 120.0° |
| C22 | C1' | C6' | 120.6° | 119.9° |
| C1' | C22 | C21 | 112.8° | 109.5° |
| C1' | C22 | H22 | 108.6° | 109.5° |
| C1' | C22 | H22A | 108.6° | 109.5° |
| C1' | C6' | C5' | 120.5° | 120.0° |
| C1' | C6' | H6' | 119.8° | 120.0° |
| C12 | N11 | C16 | 121.7° | 120.7° |
| N11 | C12 | N13 | 121.6° | 121.6° |
| N11 | C16 | C15 | 119.4° | 119.2° |
| N11 | C16 | H16 | 120.3° | 120.4° |
| C12 | N13 | C14 | 120.8° | 120.8° |
| N13 | C14 | C15 | 119.4° | 119.1° |
| N13 | C14 | C17 | 120.3° | 120.5° |
| C15 | C14 | C17 | 120.3° | 120.4° |
| C14 | C15 | C16 | 117.2° | 118.5° |
| C14 | C15 | H15 | 121.4° | 120.8° |
| C14 | C17 | C18 | 110.8° | 109.5° |
| C14 | C17 | H17 | 109.1° | 109.5° |
| C14 | C17 | H17A | 109.2° | 109.5° |
| C16 | C15 | H15 | 121.4° | 120.7° |
| C15 | C16 | H16 | 120.3° | 120.5° |
| C18 | C17 | H17 | 109.2° | 109.5° |
| C18 | C17 | H17A | 109.1° | 109.5° |
| C17 | C18 | N19 | 107.9° | 109.5° |
| C17 | C18 | H18 | 109.8° | 109.5° |
| C17 | C18 | H18A | 109.9° | 109.5° |
| H17 | C17 | H17A | 109.5° | 109.4° |
| N19 | C18 | H18 | 109.9° | 109.5° |
| N19 | C18 | H18A | 109.9° | 109.4° |
| C18 | N19 | C20 | 109.7° | 111.0° |
| C18 | N19 | HN19 | 109.4° | 111.0° |
| H18 | C18 | H18A | 109.5° | 109.5° |
| C20 | N19 | HN19 | 109.4° | 111.0° |
| N19 | C20 | C21 | 109.5° | 109.5° |
| N19 | C20 | H20 | 109.5° | 109.5° |
| N19 | C20 | H20A | 109.5° | 109.5° |
| C3' | C2' | H2' | 120.3° | 120.1° |
| C2' | C3' | C4' | 120.9° | 120.0° |
| C2' | C3' | F7' | 118.9° | 119.9° |
| C21 | C20 | H20 | 109.5° | 109.5° |
| C21 | C20 | H20A | 109.5° | 109.4° |
| C20 | C21 | C22 | 111.8° | 109.5° |
| C20 | C21 | H21 | 108.9° | 109.5° |
| C20 | C21 | H21A | 108.9° | 109.5° |
| H20 | C20 | H20A | 109.5° | 109.4° |
| C22 | C21 | H21 | 108.9° | 109.5° |
| C22 | C21 | H21A | 108.9° | 109.5° |
| C21 | C22 | H22 | 108.6° | 109.5° |
| C21 | C22 | H22A | 108.6° | 109.4° |
| H21 | C21 | H21A | 109.5° | 109.4° |
| H22 | C22 | H22A | 109.5° | 109.5° |
| C4' | C3' | F7' | 120.3° | 120.1° |
| C3' | C4' | C5' | 119.8° | 120.0° |
| C3' | C4' | H4' | 120.1° | 120.0° |
| C5' | C4' | H4' | 120.1° | 120.0° |
| C4' | C5' | C6' | 119.5° | 120.0° |
| C4' | C5' | H5' | 120.2° | 120.0° |
| C6' | C5' | H5' | 120.3° | 120.0° |
| C5' | C6' | H6' | 119.8° | 120.0° |
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 | 1.3° | 0.0° |
| N01 | C02 | N03 | C12 | 179.3° | 179.9° |
| C02 | N01 | C05 | C04 | 0.1° | 0.0° |
| C02 | N01 | C05 | H05 | 179.9° | 180.0° |
| C05 | N01 | C02 | N03 | 0.9° | 0.0° |
| C05 | N01 | C02 | H02 | 179.1° | 180.0° |
| N01 | C05 | C04 | N03 | 0.7° | 0.0° |
| N01 | C05 | C04 | H05 | 180.0° | 180.0° |
| N01 | C05 | C04 | C06 | 179.9° | 179.9° |
| C02 | N03 | C04 | C12 | 178.1° | 179.9° |
| C02 | N03 | C04 | C05 | 1.3° | 0.0° |
| C02 | N03 | C04 | C06 | 179.6° | 179.9° |
| C02 | N03 | C12 | N11 | 144.0° | 180.0° |
| C02 | N03 | C12 | N13 | 36.6° | 0.1° |
| H02 | C02 | N03 | C04 | 178.7° | 180.0° |
| H02 | C02 | N03 | C12 | 0.7° | 0.0° |
| N03 | C04 | C05 | C06 | 179.2° | 180.0° |
| N03 | C04 | C05 | H05 | 179.3° | 180.0° |
| N03 | C04 | C06 | H06 | 90.5° | 90.0° |
| N03 | C04 | C06 | H06A | 149.4° | 150.0° |
| N03 | C04 | C06 | H06B | 29.5° | 30.0° |
| C04 | N03 | C12 | N11 | 38.2° | 0.0° |
| C04 | N03 | C12 | N13 | 141.1° | 180.0° |
| C12 | N03 | C04 | C05 | 179.3° | 179.9° |
| C12 | N03 | C04 | C06 | 1.5° | 0.0° |
| N03 | C12 | N11 | N13 | 179.3° | 180.0° |
| N03 | C12 | N11 | C16 | 178.7° | 180.0° |
| N03 | C12 | N13 | C14 | 178.2° | 180.0° |
| C05 | C04 | C06 | H06 | 90.5° | 90.1° |
| C05 | C04 | C06 | H06A | 29.5° | 29.9° |
| C05 | C04 | C06 | H06B | 149.5° | 150.0° |
| C06 | C04 | C05 | H05 | 0.2° | 0.1° |
| C04 | C06 | H06 | H06A | 120.0° | 120.0° |
| C04 | C06 | H06 | H06B | 120.0° | 120.0° |
| C04 | C06 | H06A | H06B | 120.0° | 120.0° |
| H06 | C06 | H06A | H06B | 120.0° | 120.0° |
| C2' | C1' | C22 | C6' | 179.2° | 179.8° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C2' | C1' | C22 | C21 | 85.0° | 90.0° |
| C2' | C1' | C22 | H22 | 154.5° | 150.0° |
| C2' | C1' | C22 | H22A | 35.5° | 29.9° |
| C1' | C2' | C3' | C4' | 0.4° | 0.0° |
| C1' | C2' | C3' | F7' | 179.6° | 179.9° |
| C2' | C1' | C6' | C5' | 0.4° | 0.5° |
| C2' | C1' | C6' | H6' | 179.6° | 179.9° |
| C22 | C1' | C2' | C3' | 179.6° | 180.0° |
| C22 | C1' | C2' | H2' | 0.4° | 0.1° |
| C1' | C22 | C21 | C20 | 177.9° | 180.0° |
| C1' | C22 | C21 | H22 | 120.5° | 120.1° |
| C1' | C22 | C21 | H22A | 120.5° | 120.0° |
| C1' | C22 | C21 | H21 | 61.7° | 60.0° |
| C1' | C22 | C21 | H21A | 57.6° | 59.9° |
| C1' | C22 | H22 | H22A | 118.5° | 120.0° |
| C22 | C1' | C6' | C5' | 179.5° | 179.7° |
| C22 | C1' | C6' | H6' | 0.5° | 0.3° |
| C6' | C1' | C2' | C3' | 0.4° | 0.2° |
| C6' | C1' | C2' | H2' | 179.6° | 179.7° |
| C6' | C1' | C22 | C21 | 95.8° | 89.8° |
| C6' | C1' | C22 | H22 | 24.7° | 30.3° |
| C6' | C1' | C22 | H22A | 143.7° | 150.3° |
| C1' | C6' | C5' | C4' | 0.1° | 0.6° |
| C1' | C6' | C5' | H6' | 180.0° | 179.4° |
| C1' | C6' | C5' | H5' | 179.8° | 179.8° |
| N11 | C12 | N13 | C14 | 1.1° | 0.0° |
| C12 | N11 | C16 | C15 | 0.1° | 0.0° |
| C12 | N11 | C16 | H16 | 179.9° | 180.0° |
| C16 | N11 | C12 | N13 | 0.7° | 0.0° |
| N11 | C16 | C15 | C14 | 0.0° | 0.0° |
| N11 | C16 | C15 | H16 | 180.0° | 180.0° |
| N11 | C16 | C15 | H15 | 180.0° | 180.0° |
| C12 | N13 | C14 | C15 | 1.0° | 0.0° |
| C12 | N13 | C14 | C17 | 179.3° | 180.0° |
| N13 | C14 | C15 | C17 | 179.7° | 180.0° |
| N13 | C14 | C15 | C16 | 0.5° | 0.0° |
| N13 | C14 | C15 | H15 | 179.6° | 180.0° |
| N13 | C14 | C17 | C18 | 36.9° | 55.0° |
| N13 | C14 | C17 | H17 | 157.1° | 65.0° |
| N13 | C14 | C17 | H17A | 83.3° | 175.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| C15 | C14 | C17 | C18 | 143.5° | 125.0° |
| C15 | C14 | C17 | H17 | 23.3° | 115.0° |
| C15 | C14 | C17 | H17A | 96.3° | 4.9° |
| C17 | C14 | C15 | C16 | 179.9° | 180.0° |
| C17 | C14 | C15 | H15 | 0.1° | 0.0° |
| C14 | C17 | C18 | H17 | 120.2° | 120.0° |
| C14 | C17 | C18 | H17A | 120.2° | 120.1° |
| C14 | C17 | H17 | H17A | 119.4° | 120.0° |
| C14 | C17 | C18 | N19 | 167.9° | 179.9° |
| C14 | C17 | C18 | H18 | 48.2° | 60.0° |
| C14 | C17 | C18 | H18A | 72.3° | 60.0° |
| H15 | C15 | C16 | H16 | 0.0° | 0.1° |
| C18 | C17 | H17 | H17A | 119.4° | 120.0° |
| C17 | C18 | N19 | H18 | 119.7° | 120.0° |
| C17 | C18 | N19 | H18A | 119.8° | 120.0° |
| C17 | C18 | H18 | H18A | 120.7° | 120.0° |
| C17 | C18 | N19 | C20 | 61.5° | 180.0° |
| C17 | C18 | N19 | HN19 | 58.5° | 56.1° |
| H17 | C17 | C18 | N19 | 71.9° | 60.0° |
| H17 | C17 | C18 | H18 | 168.3° | 180.0° |
| H17 | C17 | C18 | H18A | 47.9° | 60.0° |
| H17A | C17 | C18 | N19 | 47.7° | 60.0° |
| H17A | C17 | C18 | H18 | 72.0° | 60.0° |
| H17A | C17 | C18 | H18A | 167.5° | 180.0° |
| N19 | C18 | H18 | H18A | 120.8° | 119.9° |
| C18 | N19 | C20 | HN19 | 120.0° | 124.0° |
| C18 | N19 | C20 | C21 | 173.2° | 180.0° |
| C18 | N19 | C20 | H20 | 53.2° | 60.0° |
| C18 | N19 | C20 | H20A | 66.9° | 60.0° |
| H18 | C18 | N19 | C20 | 178.7° | 60.0° |
| H18 | C18 | N19 | HN19 | 61.3° | 176.1° |
| H18A | C18 | N19 | C20 | 58.2° | 60.0° |
| H18A | C18 | N19 | HN19 | 178.2° | 64.0° |
| N19 | C20 | C21 | H20 | 120.0° | 120.1° |
| N19 | C20 | C21 | H20A | 120.0° | 120.0° |
| N19 | C20 | H20 | H20A | 120.0° | 120.0° |
| N19 | C20 | C21 | C22 | 114.9° | 180.0° |
| N19 | C20 | C21 | H21 | 124.8° | 59.9° |
| N19 | C20 | C21 | H21A | 5.4° | 60.0° |
| HN19 | N19 | C20 | C21 | 66.8° | 56.0° |
| HN19 | N19 | C20 | H20 | 173.2° | 176.0° |
| HN19 | N19 | C20 | H20A | 53.2° | 64.0° |
| C2' | C3' | C4' | F7' | 179.9° | 179.9° |
| C2' | C3' | C4' | C5' | 0.2° | 0.0° |
| C2' | C3' | C4' | H4' | 179.8° | 180.0° |
| H2' | C2' | C3' | C4' | 179.7° | 180.0° |
| H2' | C2' | C3' | F7' | 0.4° | 0.0° |
| C21 | C20 | H20 | H20A | 120.0° | 119.9° |
| C20 | C21 | C22 | H21 | 120.3° | 120.1° |
| C20 | C21 | C22 | H21A | 120.3° | 120.0° |
| C20 | C21 | H21 | H21A | 119.0° | 120.0° |
| C20 | C21 | C22 | H22 | 61.6° | 60.0° |
| C20 | C21 | C22 | H22A | 57.4° | 60.0° |
| H20 | C20 | C21 | C22 | 5.1° | 60.0° |
| H20 | C20 | C21 | H21 | 115.2° | 180.0° |
| H20 | C20 | C21 | H21A | 125.4° | 60.1° |
| H20A | C20 | C21 | C22 | 125.1° | 60.0° |
| H20A | C20 | C21 | H21 | 4.8° | 60.1° |
| H20A | C20 | C21 | H21A | 114.6° | 180.0° |
| C22 | C21 | H21 | H21A | 118.9° | 119.9° |
| C21 | C22 | H22 | H22A | 118.5° | 119.9° |
| H21 | C21 | C22 | H22 | 58.7° | 60.1° |
| H21 | C21 | C22 | H22A | 177.8° | 180.0° |
| H21A | C21 | C22 | H22 | 178.1° | 180.0° |
| H21A | C21 | C22 | H22A | 62.9° | 60.1° |
| C3' | C4' | C5' | H4' | 180.0° | 180.0° |
| C3' | C4' | C5' | C6' | 0.0° | 0.3° |
| C3' | C4' | C5' | H5' | 179.9° | 180.0° |
| F7' | C3' | C4' | C5' | 179.8° | 180.0° |
| F7' | C3' | C4' | H4' | 0.2° | 0.1° |
| C4' | C5' | C6' | H5' | 180.0° | 179.7° |
| C4' | C5' | C6' | H6' | 179.9° | 180.0° |
| H4' | C4' | C5' | C6' | 179.9° | 179.7° |
| H4' | C4' | C5' | H5' | 0.1° | 0.0° |
| H5' | C5' | C6' | H6' | 0.2° | 0.3° |
