K9L
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 | 1.35Å | Aromatic |
| C02 | N03 | sing | 1.36Å | 1.34Å | Aromatic |
| N03 | C04 | sing | 1.37Å | 1.34Å | Aromatic |
| N03 | C12 | sing | 1.40Å | 1.34Å | |
| C04 | C05 | doub | 1.35Å | 1.39Å | Aromatic |
| C1' | C2' | doub | 1.38Å | 1.39Å | Aromatic |
| C1' | C24 | sing | 1.51Å | 1.52Å | |
| C1' | C6' | sing | 1.38Å | 1.40Å | Aromatic |
| N11 | C12 | doub | 1.32Å | 1.36Å | Aromatic |
| N11 | C16 | sing | 1.32Å | 1.35Å | Aromatic |
| C12 | N13 | sing | 1.32Å | 1.36Å | Aromatic |
| N13 | C14 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | N19 | sing | 1.47Å | 1.48Å | |
| N19 | C21 | sing | 1.47Å | 1.48Å | |
| C2' | C3' | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C3' | C4' | doub | 1.38Å | 1.39Å | Aromatic |
| C3' | F7' | sing | 1.35Å | 1.35Å | |
| C4' | C5' | sing | 1.38Å | 1.39Å | Aromatic |
| C5' | C6' | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | H02 | sing | 1.08Å | 1.08Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | 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 | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | 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 | 112.0° | 109.3° |
| N01 | C02 | N03 | 101.8° | 108.6° |
| N01 | C02 | H02 | 129.1° | 125.7° |
| N01 | C05 | C04 | 107.3° | 108.3° |
| N01 | C05 | H05 | 126.3° | 125.9° |
| C02 | N03 | C04 | 116.2° | 107.0° |
| C02 | N03 | C12 | 121.3° | 126.5° |
| N03 | C02 | H02 | 129.1° | 125.7° |
| C04 | N03 | C12 | 122.4° | 126.5° |
| N03 | C04 | C05 | 102.6° | 106.8° |
| N03 | C04 | H04 | 128.7° | 126.6° |
| N03 | C12 | N11 | 117.9° | 119.2° |
| N03 | C12 | N13 | 120.8° | 119.2° |
| C05 | C04 | H04 | 128.7° | 126.6° |
| C04 | C05 | H05 | 126.3° | 125.9° |
| C2' | C1' | C24 | 121.2° | 120.0° |
| C2' | C1' | C6' | 119.7° | 120.0° |
| C1' | C2' | C3' | 119.8° | 120.0° |
| C1' | C2' | H2' | 120.1° | 120.0° |
| C24 | C1' | C6' | 119.1° | 120.0° |
| C1' | C24 | C23 | 115.1° | 109.5° |
| C1' | C24 | H24 | 108.1° | 109.5° |
| C1' | C24 | H24A | 108.0° | 109.5° |
| C1' | C6' | C5' | 120.6° | 120.0° |
| C1' | C6' | H6' | 119.7° | 119.9° |
| C12 | N11 | C16 | 120.1° | 120.7° |
| N11 | C12 | N13 | 121.3° | 121.6° |
| N11 | C16 | C15 | 119.7° | 119.2° |
| N11 | C16 | C17 | 119.4° | 120.4° |
| C12 | N13 | C14 | 120.3° | 120.8° |
| N13 | C14 | C15 | 119.8° | 119.2° |
| N13 | C14 | H14 | 120.1° | 120.4° |
| C14 | C15 | C16 | 118.8° | 118.5° |
| C15 | C14 | H14 | 120.1° | 120.4° |
| C14 | C15 | H15 | 120.6° | 120.7° |
| C15 | C16 | C17 | 120.9° | 120.4° |
| C16 | C15 | H15 | 120.6° | 120.7° |
| C16 | C17 | C18 | 110.0° | 109.4° |
| C16 | C17 | H17 | 109.3° | 109.5° |
| C16 | C17 | H17A | 109.3° | 109.4° |
| C17 | C18 | N19 | 109.6° | 109.4° |
| C18 | C17 | H17 | 109.3° | 109.5° |
| C18 | C17 | H17A | 109.3° | 109.5° |
| C17 | C18 | H18 | 109.5° | 109.5° |
| C17 | C18 | H18A | 109.4° | 109.5° |
| C18 | N19 | C21 | 110.4° | 111.0° |
| N19 | C18 | H18 | 109.5° | 109.5° |
| N19 | C18 | H18A | 109.5° | 109.5° |
| C18 | N19 | HN19 | 109.2° | 111.0° |
| N19 | C21 | C22 | 108.7° | 117.5° |
| N19 | C21 | C23 | 111.7° | 117.5° |
| C21 | N19 | HN19 | 109.2° | 111.0° |
| N19 | C21 | H21 | 121.2° | 115.5° |
| C2' | C3' | C4' | 120.2° | 119.9° |
| C2' | C3' | F7' | 120.4° | 120.0° |
| C3' | C2' | H2' | 120.1° | 120.0° |
| C22 | C21 | C23 | 59.8° | 60.1° |
| C21 | C22 | C23 | 60.3° | 60.0° |
| C22 | C21 | H21 | 120.1° | 117.5° |
| C21 | C22 | H22 | 119.9° | 117.5° |
| C21 | C22 | H22A | 120.0° | 117.5° |
| C21 | C23 | C22 | 60.0° | 60.0° |
| C21 | C23 | C24 | 109.0° | 117.5° |
| C23 | C21 | H21 | 120.0° | 117.5° |
| C21 | C23 | H23 | 121.9° | 117.5° |
| C22 | C23 | C24 | 105.5° | 117.5° |
| C23 | C22 | H22 | 119.9° | 117.5° |
| C23 | C22 | H22A | 120.0° | 117.5° |
| C22 | C23 | H23 | 122.1° | 117.5° |
| C24 | C23 | H23 | 122.1° | 115.6° |
| C23 | C24 | H24 | 108.0° | 109.5° |
| C23 | C24 | H24A | 108.1° | 109.4° |
| C4' | C3' | F7' | 119.4° | 120.1° |
| C3' | C4' | C5' | 120.1° | 120.0° |
| C3' | C4' | H4' | 120.0° | 120.0° |
| C4' | C5' | C6' | 119.6° | 120.0° |
| C5' | C4' | H4' | 119.9° | 120.0° |
| C4' | C5' | H5' | 120.2° | 119.9° |
| C6' | C5' | H5' | 120.2° | 120.0° |
| C5' | C6' | H6' | 119.7° | 120.0° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| H18 | C18 | H18A | 109.4° | 109.5° |
| H22 | C22 | H22A | 109.5° | 115.6° |
| H24 | C24 | H24A | 109.4° | 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 | 1.4° | 0.0° |
| N01 | C02 | N03 | C12 | 177.9° | 180.0° |
| C02 | N01 | C05 | C04 | 0.5° | 0.0° |
| C02 | N01 | C05 | H05 | 179.5° | 180.0° |
| C05 | N01 | C02 | N03 | 1.1° | 0.0° |
| N01 | C05 | C04 | N03 | 0.3° | 0.0° |
| N01 | C05 | C04 | H05 | 180.0° | 180.0° |
| C05 | N01 | C02 | H02 | 178.9° | 180.0° |
| N01 | C05 | C04 | H04 | 179.7° | 180.0° |
| C02 | N03 | C04 | C12 | 176.4° | 180.0° |
| C02 | N03 | C04 | C05 | 1.1° | 0.0° |
| C02 | N03 | C12 | N11 | 12.0° | 0.0° |
| C02 | N03 | C12 | N13 | 170.3° | 180.0° |
| C02 | N03 | C04 | H04 | 178.9° | 180.0° |
| N03 | C04 | C05 | H04 | 180.0° | 179.9° |
| C04 | N03 | C12 | N11 | 164.3° | 180.0° |
| C04 | N03 | C12 | N13 | 13.4° | 0.0° |
| C04 | N03 | C02 | H02 | 178.6° | 180.0° |
| N03 | C04 | C05 | H05 | 179.7° | 180.0° |
| C12 | N03 | C04 | C05 | 177.5° | 180.0° |
| N03 | C12 | N11 | N13 | 177.7° | 180.0° |
| N03 | C12 | N11 | C16 | 179.2° | 180.0° |
| N03 | C12 | N13 | C14 | 178.8° | 180.0° |
| C12 | N03 | C02 | H02 | 2.1° | 0.1° |
| C12 | N03 | C04 | H04 | 2.4° | 0.0° |
| C2' | C1' | C24 | C6' | 177.8° | 179.7° |
| C1' | C2' | C3' | H2' | 180.0° | 179.9° |
| C2' | C1' | C24 | C23 | 58.3° | 89.9° |
| C1' | C2' | C3' | C4' | 0.2° | 0.0° |
| C1' | C2' | C3' | F7' | 179.2° | 180.0° |
| C2' | C1' | C6' | C5' | 1.2° | 0.6° |
| C2' | C1' | C24 | H24 | 179.1° | 150.0° |
| C2' | C1' | C24 | H24A | 62.5° | 30.0° |
| C2' | C1' | C6' | H6' | 178.8° | 180.0° |
| C24 | C1' | C2' | C3' | 178.8° | 180.0° |
| C1' | C24 | C23 | C21 | 164.1° | 175.0° |
| C1' | C24 | C23 | C22 | 132.9° | 116.4° |
| C1' | C24 | C23 | H24 | 120.9° | 120.0° |
| C1' | C24 | C23 | H24A | 120.8° | 119.9° |
| C24 | C1' | C6' | C5' | 179.0° | 179.7° |
| C24 | C1' | C2' | H2' | 1.2° | 0.0° |
| C1' | C24 | C23 | H23 | 12.8° | 29.3° |
| C1' | C24 | H24 | H24A | 117.4° | 120.0° |
| C24 | C1' | C6' | H6' | 1.0° | 0.2° |
| C6' | C1' | C2' | C3' | 1.0° | 0.3° |
| C6' | C1' | C24 | C23 | 123.9° | 89.8° |
| C1' | C6' | C5' | C4' | 0.6° | 0.5° |
| C1' | C6' | C5' | H6' | 180.0° | 179.5° |
| C6' | C1' | C2' | H2' | 179.0° | 179.8° |
| C6' | C1' | C24 | H24 | 3.1° | 30.3° |
| C6' | C1' | C24 | H24A | 115.3° | 150.3° |
| C1' | C6' | C5' | H5' | 179.3° | 179.8° |
| N11 | C12 | N13 | C14 | 1.2° | 0.0° |
| C12 | N11 | C16 | C15 | 1.2° | 0.0° |
| C12 | N11 | C16 | C17 | 179.8° | 180.0° |
| C16 | N11 | C12 | N13 | 1.5° | 0.0° |
| N11 | C16 | C15 | C14 | 0.6° | 0.0° |
| N11 | C16 | C15 | C17 | 178.5° | 180.0° |
| N11 | C16 | C17 | C18 | 44.4° | 55.0° |
| N11 | C16 | C15 | H15 | 179.4° | 180.0° |
| N11 | C16 | C17 | H17 | 164.5° | 64.9° |
| N11 | C16 | C17 | H17A | 75.6° | 175.0° |
| C12 | N13 | C14 | C15 | 0.5° | 0.0° |
| C12 | N13 | C14 | H14 | 179.4° | 180.0° |
| N13 | C14 | C15 | H14 | 180.0° | 180.0° |
| N13 | C14 | C15 | C16 | 0.3° | 0.0° |
| N13 | C14 | C15 | H15 | 179.7° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 179.2° | 180.0° |
| C15 | C16 | C17 | C18 | 134.1° | 125.0° |
| C16 | C15 | C14 | H14 | 179.7° | 180.0° |
| C15 | C16 | C17 | H17 | 14.0° | 115.1° |
| C15 | C16 | C17 | H17A | 105.9° | 5.0° |
| C16 | C17 | C18 | H17 | 120.1° | 120.0° |
| C16 | C17 | C18 | H17A | 120.1° | 119.9° |
| C16 | C17 | C18 | N19 | 172.2° | 180.0° |
| C17 | C16 | C15 | H15 | 0.8° | 0.0° |
| C16 | C17 | H17 | H17A | 119.8° | 120.0° |
| C16 | C17 | C18 | H18 | 52.2° | 60.0° |
| C16 | C17 | C18 | H18A | 67.7° | 60.0° |
| C17 | C18 | N19 | H18 | 120.0° | 120.0° |
| C17 | C18 | N19 | H18A | 120.0° | 120.0° |
| C17 | C18 | N19 | C21 | 70.2° | 180.0° |
| C18 | C17 | H17 | H17A | 119.8° | 120.1° |
| C17 | C18 | H18 | H18A | 119.9° | 120.0° |
| C17 | C18 | N19 | HN19 | 49.9° | 56.0° |
| C18 | N19 | C21 | HN19 | 120.2° | 124.0° |
| C18 | N19 | C21 | C22 | 112.8° | 136.4° |
| C18 | N19 | C21 | C23 | 176.9° | 154.9° |
| N19 | C18 | C17 | H17 | 67.7° | 60.0° |
| N19 | C18 | C17 | H17A | 52.2° | 60.1° |
| N19 | C18 | H18 | H18A | 120.0° | 120.1° |
| C18 | N19 | C21 | H21 | 32.7° | 9.2° |
| N19 | C21 | C22 | C23 | 104.7° | 107.5° |
| N19 | C21 | C22 | H21 | 146.0° | 144.9° |
| N19 | C21 | C23 | H21 | 150.8° | 145.0° |
| N19 | C21 | C23 | C24 | 163.1° | 145.0° |
| C21 | N19 | C18 | H18 | 169.7° | 60.0° |
| C21 | N19 | C18 | H18A | 49.8° | 60.1° |
| N19 | C21 | C22 | H22 | 145.7° | 145.0° |
| N19 | C21 | C22 | H22A | 4.9° | 0.1° |
| N19 | C21 | C23 | H23 | 11.7° | 0.1° |
| C2' | C3' | C4' | F7' | 179.5° | 180.0° |
| C2' | C3' | C4' | C5' | 0.3° | 0.0° |
| C2' | C3' | C4' | H4' | 179.7° | 180.0° |
| C22 | C21 | C23 | H21 | 109.5° | 107.5° |
| C21 | C22 | C23 | H22 | 109.5° | 107.5° |
| C21 | C22 | C23 | H22A | 109.6° | 107.5° |
| C22 | C21 | C23 | C24 | 97.3° | 107.4° |
| C22 | C21 | N19 | HN19 | 7.3° | 12.3° |
| C21 | C22 | H22 | H22A | 144.6° | 145.8° |
| C22 | C21 | C23 | H23 | 111.3° | 107.5° |
| C21 | C23 | C24 | H23 | 151.4° | 145.8° |
| C23 | C21 | N19 | HN19 | 56.7° | 81.0° |
| C21 | C23 | C24 | H24 | 75.0° | 65.0° |
| C21 | C23 | C24 | H24A | 43.3° | 55.1° |
| C22 | C23 | C24 | H23 | 145.6° | 145.6° |
| C23 | C22 | H22 | H22A | 144.6° | 145.7° |
| C22 | C23 | C24 | H24 | 12.0° | 3.6° |
| C22 | C23 | C24 | H24A | 106.3° | 123.7° |
| C24 | C23 | C21 | H21 | 12.3° | 0.0° |
| C24 | C23 | C22 | H22 | 6.2° | 0.0° |
| C24 | C23 | C22 | H22A | 147.1° | 145.0° |
| C23 | C24 | H24 | H24A | 117.4° | 120.0° |
| C3' | C4' | C5' | H4' | 180.0° | 179.9° |
| C3' | C4' | C5' | C6' | 0.1° | 0.2° |
| C4' | C3' | C2' | H2' | 179.8° | 180.0° |
| C3' | C4' | C5' | H5' | 179.9° | 180.0° |
| F7' | C3' | C4' | C5' | 179.8° | 180.0° |
| F7' | C3' | C2' | H2' | 0.8° | 0.0° |
| F7' | C3' | C4' | H4' | 0.2° | 0.1° |
| C4' | C5' | C6' | H5' | 180.0° | 179.7° |
| C4' | C5' | C6' | H6' | 179.3° | 180.0° |
| C6' | C5' | C4' | H4' | 179.9° | 179.7° |
| H04 | C04 | C05 | H05 | 0.3° | 0.0° |
| H14 | C14 | C15 | H15 | 0.3° | 0.0° |
| H17 | C17 | C18 | H18 | 172.3° | NaN° |
| H17 | C17 | C18 | H18A | 52.3° | 59.9° |
| H17A | C17 | C18 | H18 | 67.9° | 59.9° |
| H17A | C17 | C18 | H18A | 172.2° | 180.0° |
| H18 | C18 | N19 | HN19 | 70.1° | 176.0° |
| H18A | C18 | N19 | HN19 | 169.9° | 63.9° |
| HN19 | N19 | C21 | H21 | 152.8° | 133.2° |
| H21 | C21 | C22 | H22 | 0.2° | 0.1° |
| H21 | C21 | C22 | H22A | 141.1° | 145.0° |
| H21 | C21 | C23 | H23 | 139.2° | 145.1° |
| H22 | C22 | C23 | H23 | 139.5° | 145.0° |
| H22A | C22 | C23 | H23 | 1.5° | 0.0° |
| H23 | C23 | C24 | H24 | 133.6° | 149.3° |
| H23 | C23 | C24 | H24A | 108.1° | 90.7° |
| H4' | C4' | C5' | H5' | 0.1° | 0.0° |
| H5' | C5' | C6' | H6' | 0.7° | 0.3° |
