K08
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | C03 | sing | 1.51Å | 1.51Å | |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C19 | C18 | doub | 1.39Å | 1.42Å | Aromatic |
| C03 | C04 | sing | 1.47Å | 1.54Å | |
| C03 | C02 | doub | 1.35Å | 1.47Å | |
| C04 | C05 | sing | 1.41Å | 1.44Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.51Å | |
| C02 | C06 | sing | 1.47Å | 1.47Å | |
| C23 | N27 | sing | 1.35Å | 1.35Å | Aromatic |
| C23 | N24 | doub | 1.31Å | 1.34Å | Aromatic |
| C05 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.48Å | 1.55Å | |
| N27 | N26 | sing | 1.29Å | 1.35Å | Aromatic |
| C06 | C07 | doub | 1.37Å | 1.36Å | |
| N24 | N25 | sing | 1.29Å | 1.34Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C08 | doub | 1.40Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.47Å | 1.51Å | |
| N26 | N25 | doub | 1.29Å | 1.33Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | C14 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C14 | sing | 1.53Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| N27 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C03 | 109.9° | 109.5° |
| C21 | C22 | C23 | 111.7° | 109.5° |
| C22 | C21 | H20 | 109.4° | 109.5° |
| C22 | C21 | H21 | 109.4° | 109.5° |
| C21 | C22 | H22 | 108.9° | 109.5° |
| C21 | C22 | H23 | 108.9° | 109.5° |
| C21 | C03 | C04 | 125.8° | 125.1° |
| C21 | C03 | C02 | 126.1° | 125.1° |
| C03 | C21 | H20 | 109.4° | 109.5° |
| C03 | C21 | H21 | 109.3° | 109.4° |
| C19 | C20 | C04 | 119.8° | 119.8° |
| C20 | C19 | C18 | 120.0° | 120.7° |
| C20 | C19 | H18 | 120.0° | 119.7° |
| C19 | C20 | H19 | 120.1° | 120.1° |
| C20 | C04 | C03 | 131.0° | 132.6° |
| C20 | C04 | C05 | 121.0° | 119.2° |
| C04 | C20 | H19 | 120.1° | 120.1° |
| C22 | C23 | N27 | 126.2° | 126.7° |
| C22 | C23 | N24 | 126.6° | 126.7° |
| C23 | C22 | H22 | 108.9° | 109.5° |
| C23 | C22 | H23 | 108.9° | 109.4° |
| C19 | C18 | C17 | 120.0° | 120.5° |
| C19 | C18 | H17 | 120.0° | 119.8° |
| C18 | C19 | H18 | 120.0° | 119.7° |
| C04 | C03 | C02 | 108.1° | 109.9° |
| C03 | C04 | C05 | 108.0° | 108.1° |
| C03 | C02 | C01 | 126.1° | 125.6° |
| C03 | C02 | C06 | 108.5° | 108.8° |
| C04 | C05 | C17 | 118.7° | 120.0° |
| C04 | C05 | C06 | 107.8° | 106.6° |
| C18 | C17 | C05 | 120.5° | 119.8° |
| C18 | C17 | H16 | 119.7° | 120.1° |
| C17 | C18 | H17 | 120.0° | 119.8° |
| C01 | C02 | C06 | 125.4° | 125.6° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C06 | C05 | 107.6° | 106.6° |
| C02 | C06 | C07 | 122.0° | 126.7° |
| N27 | C23 | N24 | 107.2° | 106.7° |
| C23 | N27 | N26 | 108.4° | 107.1° |
| C23 | N27 | H24 | 125.8° | 126.4° |
| C23 | N24 | N25 | 107.9° | 108.0° |
| C17 | C05 | C06 | 133.4° | 133.4° |
| C05 | C17 | H16 | 119.7° | 120.0° |
| C05 | C06 | C07 | 130.4° | 126.7° |
| N27 | N26 | N25 | 107.4° | 108.8° |
| N26 | N27 | H24 | 125.8° | 126.5° |
| C06 | C07 | C08 | 126.1° | 120.0° |
| C06 | C07 | H4 | 117.0° | 120.0° |
| N24 | N25 | N26 | 109.1° | 109.4° |
| C12 | C13 | C08 | 119.5° | 119.8° |
| C13 | C12 | C11 | 120.2° | 120.2° |
| C13 | C12 | H7 | 119.9° | 119.9° |
| C12 | C13 | H8 | 120.3° | 120.1° |
| C13 | C08 | C07 | 121.6° | 120.2° |
| C13 | C08 | C09 | 120.2° | 119.7° |
| C08 | C13 | H8 | 120.3° | 120.1° |
| C07 | C08 | C09 | 118.2° | 120.1° |
| C08 | C07 | H4 | 116.9° | 120.0° |
| C12 | C11 | C14 | 120.9° | 119.8° |
| C12 | C11 | C10 | 120.0° | 120.4° |
| C11 | C12 | H7 | 119.9° | 119.9° |
| C08 | C09 | C10 | 120.1° | 119.7° |
| C08 | C09 | H5 | 119.9° | 120.1° |
| C14 | C11 | C10 | 119.1° | 119.8° |
| C11 | C14 | C16 | 111.6° | 109.5° |
| C11 | C14 | C15 | 113.8° | 109.5° |
| C11 | C14 | H9 | 106.4° | 109.5° |
| C11 | C10 | C09 | 120.0° | 120.2° |
| C11 | C10 | H6 | 120.0° | 120.0° |
| C10 | C09 | H5 | 120.0° | 120.1° |
| C09 | C10 | H6 | 120.0° | 119.8° |
| C16 | C14 | C15 | 111.4° | 109.4° |
| C16 | C14 | H9 | 106.5° | 109.5° |
| C14 | C16 | H13 | 109.5° | 109.5° |
| C14 | C16 | H14 | 109.5° | 109.5° |
| C14 | C16 | H15 | 109.5° | 109.5° |
| C15 | C14 | H9 | 106.5° | 109.4° |
| C14 | C15 | H10 | 109.5° | 109.4° |
| C14 | C15 | H11 | 109.5° | 109.4° |
| C14 | C15 | H12 | 109.5° | 109.4° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H10 | C15 | H12 | 109.4° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.4° |
| H13 | C16 | H15 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.4° | 109.5° |
| H20 | C21 | H21 | 109.5° | 109.5° |
| H22 | C22 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C03 | H20 | 120.1° | 120.1° |
| C22 | C21 | C03 | H21 | 120.1° | 120.0° |
| C21 | C22 | C23 | H22 | 120.4° | 120.1° |
| C21 | C22 | C23 | H23 | 120.4° | 120.0° |
| C22 | C21 | C03 | C04 | 71.0° | 85.1° |
| C22 | C21 | C03 | C02 | 107.6° | 95.0° |
| C21 | C22 | C23 | N27 | 78.8° | 125.0° |
| C21 | C22 | C23 | N24 | 100.6° | 54.7° |
| C22 | C21 | H20 | H21 | 119.8° | 120.0° |
| C21 | C22 | H22 | H23 | 119.0° | 120.0° |
| C21 | C03 | C04 | C20 | 1.3° | 0.0° |
| C03 | C21 | C22 | C23 | 52.7° | 180.0° |
| C21 | C03 | C04 | C02 | 178.8° | 179.9° |
| C21 | C03 | C04 | C05 | 179.0° | 179.9° |
| C21 | C03 | C02 | C01 | 1.0° | 0.1° |
| C21 | C03 | C02 | C06 | 179.0° | 179.8° |
| C03 | C21 | H20 | H21 | 119.8° | 119.9° |
| C03 | C21 | C22 | H22 | 67.6° | 59.9° |
| C03 | C21 | C22 | H23 | 173.0° | 60.0° |
| C19 | C20 | C04 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | H18 | 180.0° | 180.0° |
| C19 | C20 | C04 | C03 | 179.9° | 180.0° |
| C19 | C20 | C04 | C05 | 0.2° | 0.1° |
| C20 | C19 | C18 | C17 | 0.1° | 0.0° |
| C20 | C19 | C18 | H17 | 179.9° | 180.0° |
| C04 | C20 | C19 | C18 | 0.1° | 0.1° |
| C20 | C04 | C03 | C05 | 179.7° | 179.9° |
| C20 | C04 | C03 | C02 | 179.9° | 179.9° |
| C20 | C04 | C05 | C17 | 0.1° | 0.1° |
| C20 | C04 | C05 | C06 | 179.8° | 179.8° |
| C04 | C20 | C19 | H18 | 179.9° | 179.9° |
| C22 | C23 | N27 | N24 | 179.5° | 179.8° |
| C22 | C23 | N27 | N26 | 179.5° | 179.9° |
| C22 | C23 | N24 | N25 | 179.5° | 180.0° |
| C23 | C22 | C21 | H20 | 67.4° | 60.0° |
| C23 | C22 | C21 | H21 | 172.7° | 60.0° |
| C23 | C22 | H22 | H23 | 118.9° | 119.9° |
| C22 | C23 | N27 | H24 | 0.5° | 0.0° |
| C19 | C18 | C17 | H17 | 180.0° | 180.0° |
| C19 | C18 | C17 | C05 | 0.1° | 0.0° |
| C19 | C18 | C17 | H16 | 179.9° | 180.0° |
| C18 | C19 | C20 | H19 | 179.9° | 180.0° |
| C04 | C03 | C02 | C01 | 179.8° | 180.0° |
| C04 | C03 | C02 | C06 | 0.2° | 0.3° |
| C03 | C04 | C05 | C17 | 179.9° | 180.0° |
| C03 | C04 | C05 | C06 | 0.1° | 0.3° |
| C03 | C04 | C20 | H19 | 0.1° | 0.1° |
| C04 | C03 | C21 | H20 | 169.0° | 35.0° |
| C04 | C03 | C21 | H21 | 49.1° | 155.0° |
| C02 | C03 | C04 | C05 | 0.2° | 0.0° |
| C03 | C02 | C01 | C06 | 180.0° | 179.7° |
| C03 | C02 | C06 | C05 | 0.2° | 0.4° |
| C03 | C02 | C06 | C07 | 179.5° | 179.8° |
| C03 | C02 | C01 | H1 | 180.0° | 179.7° |
| C03 | C02 | C01 | H2 | 60.0° | 59.7° |
| C03 | C02 | C01 | H3 | 60.0° | 60.3° |
| C02 | C03 | C21 | H20 | 12.4° | 144.9° |
| C02 | C03 | C21 | H21 | 132.3° | 25.0° |
| C04 | C05 | C17 | C18 | 0.0° | 0.0° |
| C04 | C05 | C06 | C02 | 0.0° | 0.4° |
| C04 | C05 | C17 | C06 | 180.0° | 179.6° |
| C04 | C05 | C06 | C07 | 179.6° | 179.8° |
| C04 | C05 | C17 | H16 | 180.0° | 180.0° |
| C05 | C04 | C20 | H19 | 179.8° | 180.0° |
| C18 | C17 | C05 | H16 | 180.0° | 180.0° |
| C18 | C17 | C05 | C06 | 180.0° | 179.7° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C01 | C02 | C06 | C05 | 179.9° | 179.8° |
| C01 | C02 | C06 | C07 | 0.4° | 0.1° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C02 | C06 | C05 | C17 | 180.0° | 179.9° |
| C02 | C06 | C05 | C07 | 179.7° | 179.8° |
| C02 | C06 | C07 | C08 | 168.3° | 169.2° |
| C06 | C02 | C01 | H1 | 0.0° | 0.1° |
| C06 | C02 | C01 | H2 | 120.0° | 120.0° |
| C06 | C02 | C01 | H3 | 120.0° | 120.0° |
| C02 | C06 | C07 | H4 | 11.7° | 10.8° |
| C23 | N27 | N26 | H24 | 180.0° | 179.8° |
| N27 | C23 | N24 | N25 | 0.0° | 0.2° |
| C23 | N27 | N26 | N25 | 0.1° | 0.4° |
| N27 | C23 | C22 | H22 | 160.9° | 5.0° |
| N27 | C23 | C22 | H23 | 41.6° | 115.0° |
| N24 | C23 | N27 | N26 | 0.0° | 0.4° |
| C23 | N24 | N25 | N26 | 0.0° | 0.0° |
| N24 | C23 | C22 | H22 | 19.7° | 174.7° |
| N24 | C23 | C22 | H23 | 139.0° | 65.3° |
| N24 | C23 | N27 | H24 | 180.0° | 179.8° |
| C17 | C05 | C06 | C07 | 0.3° | 0.1° |
| C05 | C17 | C18 | H17 | 179.9° | 180.0° |
| C05 | C06 | C07 | C08 | 11.3° | 11.0° |
| C05 | C06 | C07 | H4 | 168.7° | 169.0° |
| C06 | C05 | C17 | H16 | 0.0° | 0.3° |
| N27 | N26 | N25 | N24 | 0.1° | 0.2° |
| C06 | C07 | C08 | C13 | 47.8° | 136.0° |
| C06 | C07 | C08 | H4 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 134.1° | 44.4° |
| C12 | C13 | C08 | H8 | 180.0° | 179.4° |
| C12 | C13 | C08 | C07 | 179.9° | 179.7° |
| C13 | C12 | C11 | H7 | 180.0° | 179.7° |
| C12 | C13 | C08 | C09 | 1.8° | 0.6° |
| C13 | C12 | C11 | C14 | 179.2° | 179.7° |
| C13 | C12 | C11 | C10 | 0.4° | 0.3° |
| C13 | C08 | C07 | C09 | 178.1° | 179.6° |
| C08 | C13 | C12 | C11 | 0.8° | 0.6° |
| C13 | C08 | C09 | C10 | 1.6° | 0.3° |
| C13 | C08 | C07 | H4 | 132.2° | 44.0° |
| C13 | C08 | C09 | H5 | 178.3° | 179.7° |
| C08 | C13 | C12 | H7 | 179.2° | 179.7° |
| C07 | C08 | C09 | C10 | 179.8° | 180.0° |
| C07 | C08 | C09 | H5 | 0.2° | 0.1° |
| C07 | C08 | C13 | H8 | 0.1° | 0.3° |
| N25 | N26 | N27 | H24 | 179.9° | 179.8° |
| C12 | C11 | C14 | C10 | 178.8° | 180.0° |
| C12 | C11 | C10 | C09 | 0.6° | 0.0° |
| C12 | C11 | C14 | C16 | 57.8° | 60.0° |
| C12 | C11 | C14 | C15 | 69.3° | 60.0° |
| C12 | C11 | C10 | H6 | 179.4° | 180.0° |
| C11 | C12 | C13 | H8 | 179.2° | 180.0° |
| C12 | C11 | C14 | H9 | 173.7° | 180.0° |
| C08 | C09 | C10 | C11 | 0.4° | 0.0° |
| C08 | C09 | C10 | H5 | 180.0° | 179.9° |
| C09 | C08 | C07 | H4 | 45.9° | 135.6° |
| C08 | C09 | C10 | H6 | 179.6° | 180.0° |
| C09 | C08 | C13 | H8 | 178.2° | 180.0° |
| C14 | C11 | C10 | C09 | 179.3° | 180.0° |
| C11 | C14 | C16 | C15 | 128.5° | 120.0° |
| C11 | C14 | C16 | H9 | 115.8° | 120.1° |
| C11 | C14 | C15 | H9 | 117.0° | 120.0° |
| C14 | C11 | C10 | H6 | 0.6° | 0.0° |
| C14 | C11 | C12 | H7 | 0.8° | 0.0° |
| C11 | C14 | C15 | H10 | 180.0° | 60.0° |
| C11 | C14 | C15 | H11 | 60.0° | 180.0° |
| C11 | C14 | C15 | H12 | 60.0° | 60.0° |
| C11 | C14 | C16 | H13 | 180.0° | 60.0° |
| C11 | C14 | C16 | H14 | 60.0° | 60.0° |
| C11 | C14 | C16 | H15 | 60.0° | 180.0° |
| C11 | C10 | C09 | H6 | 180.0° | 180.0° |
| C10 | C11 | C14 | C16 | 120.9° | 120.0° |
| C10 | C11 | C14 | C15 | 111.9° | 120.0° |
| C11 | C10 | C09 | H5 | 179.5° | 180.0° |
| C10 | C11 | C12 | H7 | 179.6° | 180.0° |
| C10 | C11 | C14 | H9 | 5.1° | 0.0° |
| C16 | C14 | C15 | H9 | 115.7° | 120.0° |
| C16 | C14 | C15 | H10 | 52.7° | 60.0° |
| C16 | C14 | C15 | H11 | 67.3° | 60.0° |
| C16 | C14 | C15 | H12 | 172.7° | 180.0° |
| C14 | C16 | H13 | H14 | 120.0° | 120.0° |
| C14 | C16 | H13 | H15 | 120.0° | 120.0° |
| C14 | C16 | H14 | H15 | 120.0° | 120.0° |
| C14 | C15 | H10 | H11 | 120.0° | 120.0° |
| C14 | C15 | H10 | H12 | 120.0° | 120.0° |
| C14 | C15 | H11 | H12 | 120.0° | 119.9° |
| C15 | C14 | C16 | H13 | 51.5° | 60.0° |
| C15 | C14 | C16 | H14 | 171.6° | 180.0° |
| C15 | C14 | C16 | H15 | 68.5° | 60.0° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H5 | C09 | C10 | H6 | 0.5° | 0.1° |
| H7 | C12 | C13 | H8 | 0.7° | 0.3° |
| H9 | C14 | C15 | H10 | 63.0° | 180.0° |
| H9 | C14 | C15 | H11 | 177.0° | 60.0° |
| H9 | C14 | C15 | H12 | 56.9° | 60.0° |
| H9 | C14 | C16 | H13 | 64.2° | 179.9° |
| H9 | C14 | C16 | H14 | 55.8° | 60.1° |
| H9 | C14 | C16 | H15 | 175.7° | 59.9° |
| H10 | C15 | H11 | H12 | 120.0° | 120.1° |
| H13 | C16 | H14 | H15 | 120.0° | 120.0° |
| H16 | C17 | C18 | H17 | 0.1° | 0.0° |
| H17 | C18 | C19 | H18 | 0.1° | 0.0° |
| H18 | C19 | C20 | H19 | 0.1° | 0.0° |
| H20 | C21 | C22 | H22 | 172.3° | 180.0° |
| H20 | C21 | C22 | H23 | 53.0° | 60.0° |
| H21 | C21 | C22 | H22 | 52.4° | 60.0° |
| H21 | C21 | C22 | H23 | 66.9° | 180.0° |
