K8O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C04 | sing | 1.51Å | 1.50Å | |
| N02 | C02 | sing | 1.39Å | 1.36Å | |
| C03 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | N01 | sing | 1.32Å | 1.35Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| N01 | C06 | doub | 1.33Å | 1.36Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.37Å | Aromatic |
| C06 | C08 | sing | 1.43Å | 1.28Å | |
| C08 | C09 | trip | 1.17Å | 1.19Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C16 | N11 | sing | 1.47Å | 1.47Å | |
| C09 | C10 | sing | 1.47Å | 1.47Å | |
| N11 | C10 | sing | 1.47Å | 1.48Å | |
| N11 | C12 | sing | 1.47Å | 1.46Å | |
| F18 | C14 | sing | 1.40Å | 1.32Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | F17 | sing | 1.40Å | 1.32Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.08Å | 1.08Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| N02 | H16 | sing | 0.97Å | 1.00Å | |
| N02 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C04 | C03 | 118.9° | 120.7° |
| C07 | C04 | C05 | 121.2° | 120.7° |
| C04 | C07 | H13 | 109.5° | 109.5° |
| C04 | C07 | H14 | 109.5° | 109.4° |
| C04 | C07 | H15 | 109.5° | 109.5° |
| N02 | C02 | C03 | 121.3° | 119.7° |
| N02 | C02 | N01 | 119.1° | 119.6° |
| C02 | N02 | H16 | 109.5° | 120.0° |
| C02 | N02 | H17 | 109.5° | 120.0° |
| C02 | C03 | C04 | 119.2° | 119.4° |
| C03 | C02 | N01 | 119.6° | 120.7° |
| C02 | C03 | H11 | 120.4° | 120.3° |
| C03 | C04 | C05 | 119.9° | 118.6° |
| C04 | C03 | H11 | 120.4° | 120.3° |
| C02 | N01 | C06 | 122.2° | 121.5° |
| C04 | C05 | C06 | 119.4° | 119.2° |
| C04 | C05 | H12 | 120.3° | 120.3° |
| N01 | C06 | C05 | 119.6° | 120.6° |
| N01 | C06 | C08 | 114.7° | 119.7° |
| C05 | C06 | C08 | 125.2° | 119.7° |
| C06 | C05 | H12 | 120.3° | 120.4° |
| C06 | C08 | C09 | 177.9° | 180.0° |
| C08 | C09 | C10 | 174.5° | 180.0° |
| C16 | C15 | C14 | 108.9° | 109.3° |
| C15 | C16 | N11 | 108.8° | 109.5° |
| C16 | C15 | H3 | 109.6° | 109.5° |
| C16 | C15 | H4 | 109.6° | 109.5° |
| C15 | C16 | H5 | 109.6° | 109.5° |
| C15 | C16 | H6 | 109.6° | 109.5° |
| C15 | C14 | F18 | 109.0° | 109.6° |
| C15 | C14 | C13 | 111.3° | 109.2° |
| C15 | C14 | F17 | 109.5° | 109.5° |
| C14 | C15 | H3 | 109.6° | 109.6° |
| C14 | C15 | H4 | 109.6° | 109.4° |
| C16 | N11 | C10 | 110.0° | 111.0° |
| C16 | N11 | C12 | 109.8° | 111.2° |
| N11 | C16 | H5 | 109.6° | 109.5° |
| N11 | C16 | H6 | 109.6° | 109.5° |
| C09 | C10 | N11 | 107.1° | 109.5° |
| C09 | C10 | H9 | 110.0° | 109.5° |
| C09 | C10 | H10 | 110.1° | 109.4° |
| C10 | N11 | C12 | 109.0° | 111.0° |
| N11 | C10 | H9 | 110.1° | 109.5° |
| N11 | C10 | H10 | 110.1° | 109.5° |
| N11 | C12 | C13 | 108.5° | 109.5° |
| N11 | C12 | H7 | 109.7° | 109.5° |
| N11 | C12 | H8 | 109.7° | 109.5° |
| F18 | C14 | C13 | 109.7° | 109.6° |
| F18 | C14 | F17 | 109.5° | 109.5° |
| C13 | C14 | F17 | 107.9° | 109.5° |
| C14 | C13 | C12 | 108.8° | 109.3° |
| C14 | C13 | H1 | 109.6° | 109.5° |
| C14 | C13 | H2 | 109.6° | 109.5° |
| C12 | C13 | H1 | 109.6° | 109.5° |
| C12 | C13 | H2 | 109.6° | 109.5° |
| C13 | C12 | H7 | 109.7° | 109.5° |
| C13 | C12 | H8 | 109.7° | 109.4° |
| H1 | C13 | H2 | 109.5° | 109.4° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.4° |
| H7 | C12 | H8 | 109.4° | 109.4° |
| H9 | C10 | H10 | 109.5° | 109.4° |
| H13 | C07 | H14 | 109.5° | 109.5° |
| H13 | C07 | H15 | 109.5° | 109.5° |
| H14 | C07 | H15 | 109.4° | 109.5° |
| H16 | N02 | H17 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C04 | C03 | C02 | 179.8° | 180.0° |
| C07 | C04 | C03 | C05 | 179.2° | 180.0° |
| C07 | C04 | C05 | C06 | 177.7° | 180.0° |
| C07 | C04 | C03 | H11 | 0.2° | 0.1° |
| C07 | C04 | C05 | H12 | 2.3° | 0.0° |
| C04 | C07 | H13 | H14 | 120.0° | 119.9° |
| C04 | C07 | H13 | H15 | 120.0° | 120.0° |
| C04 | C07 | H14 | H15 | 120.0° | 120.0° |
| N02 | C02 | C03 | N01 | 179.6° | 179.7° |
| N02 | C02 | C03 | C04 | 179.0° | 179.7° |
| N02 | C02 | N01 | C06 | 178.9° | 179.7° |
| N02 | C02 | C03 | H11 | 1.0° | 0.4° |
| C02 | N02 | H16 | H17 | 120.0° | 179.9° |
| C02 | C03 | C04 | H11 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.6° | 0.0° |
| C03 | C02 | N01 | C06 | 1.5° | 0.0° |
| C03 | C02 | N02 | H16 | 179.6° | 179.7° |
| C03 | C02 | N02 | H17 | 59.6° | 0.3° |
| C04 | C03 | C02 | N01 | 0.6° | 0.0° |
| C03 | C04 | C05 | C06 | 1.5° | 0.1° |
| C03 | C04 | C05 | H12 | 178.6° | 180.0° |
| C03 | C04 | C07 | H13 | 90.4° | 90.0° |
| C03 | C04 | C07 | H14 | 149.6° | 150.0° |
| C03 | C04 | C07 | H15 | 29.6° | 30.0° |
| C02 | N01 | C06 | C05 | 3.6° | 0.1° |
| C02 | N01 | C06 | C08 | 175.6° | 179.9° |
| N01 | C02 | C03 | H11 | 179.4° | 180.0° |
| N01 | C02 | N02 | H16 | 0.0° | 0.0° |
| N01 | C02 | N02 | H17 | 120.0° | 180.0° |
| C04 | C05 | C06 | N01 | 3.5° | 0.1° |
| C04 | C05 | C06 | H12 | 180.0° | 180.0° |
| C04 | C05 | C06 | C08 | 174.6° | 180.0° |
| C05 | C04 | C03 | H11 | 179.4° | 179.9° |
| C05 | C04 | C07 | H13 | 90.4° | 90.0° |
| C05 | C04 | C07 | H14 | 29.6° | 30.0° |
| C05 | C04 | C07 | H15 | 149.6° | 150.0° |
| N01 | C06 | C05 | C08 | 171.1° | 179.9° |
| N01 | C06 | C08 | C09 | 71.5° | 70.1° |
| N01 | C06 | C05 | H12 | 176.5° | 179.9° |
| C05 | C06 | C08 | C09 | 100.0° | 110.0° |
| C06 | C08 | C09 | C10 | 2.7° | 6.9° |
| C08 | C06 | C05 | H12 | 5.4° | 0.0° |
| C08 | C09 | C10 | N11 | 97.2° | 56.9° |
| C08 | C09 | C10 | H9 | 22.4° | 63.2° |
| C08 | C09 | C10 | H10 | 143.2° | 176.9° |
| C16 | C15 | C14 | H3 | 119.9° | 119.9° |
| C16 | C15 | C14 | H4 | 119.9° | 119.9° |
| C15 | C16 | N11 | H5 | 119.9° | 120.0° |
| C15 | C16 | N11 | H6 | 119.9° | 120.0° |
| C15 | C16 | N11 | C10 | 174.6° | 174.2° |
| C15 | C16 | N11 | C12 | 65.4° | 61.8° |
| C16 | C15 | C14 | F18 | 176.0° | 177.6° |
| C16 | C15 | C14 | C13 | 54.9° | 57.6° |
| C16 | C15 | C14 | F17 | 64.3° | 62.3° |
| C16 | C15 | H3 | H4 | 120.3° | 120.1° |
| C15 | C16 | H5 | H6 | 120.3° | 120.0° |
| C14 | C15 | C16 | N11 | 58.6° | 59.2° |
| C15 | C14 | F18 | C13 | 122.1° | 119.7° |
| C15 | C14 | F18 | F17 | 119.7° | 120.1° |
| C15 | C14 | C13 | F17 | 120.1° | 119.8° |
| C15 | C14 | C13 | C12 | 55.6° | 57.6° |
| C15 | C14 | C13 | H1 | 64.3° | 62.4° |
| C15 | C14 | C13 | H2 | 175.5° | 177.6° |
| C14 | C15 | H3 | H4 | 120.3° | 120.1° |
| C14 | C15 | C16 | H5 | 61.3° | 60.9° |
| C14 | C15 | C16 | H6 | 178.5° | 179.2° |
| C16 | N11 | C10 | C09 | 151.7° | 170.0° |
| C16 | N11 | C10 | C12 | 120.4° | 124.2° |
| C16 | N11 | C12 | C13 | 66.1° | 61.8° |
| N11 | C16 | C15 | H3 | 61.3° | 179.2° |
| N11 | C16 | C15 | H4 | 178.5° | 60.7° |
| N11 | C16 | H5 | H6 | 120.3° | 120.0° |
| C16 | N11 | C12 | H7 | 53.8° | 178.2° |
| C16 | N11 | C12 | H8 | 174.0° | 58.2° |
| C16 | N11 | C10 | H9 | 32.0° | 50.0° |
| C16 | N11 | C10 | H10 | 88.7° | 70.0° |
| C09 | C10 | N11 | H9 | 119.6° | 120.0° |
| C09 | C10 | N11 | H10 | 119.6° | 120.0° |
| C09 | C10 | N11 | C12 | 87.9° | 65.8° |
| C09 | C10 | H9 | H10 | 121.1° | 119.9° |
| C10 | N11 | C12 | C13 | 173.4° | 174.2° |
| C10 | N11 | C16 | H5 | 65.5° | 65.8° |
| C10 | N11 | C16 | H6 | 54.8° | 54.1° |
| C10 | N11 | C12 | H7 | 66.8° | 54.2° |
| C10 | N11 | C12 | H8 | 53.5° | 65.8° |
| N11 | C10 | H9 | H10 | 121.1° | 120.0° |
| N11 | C12 | C13 | C14 | 60.0° | 59.2° |
| N11 | C12 | C13 | H7 | 119.9° | 120.0° |
| N11 | C12 | C13 | H8 | 119.8° | 120.0° |
| N11 | C12 | C13 | H1 | 59.9° | 60.7° |
| N11 | C12 | C13 | H2 | 179.9° | 179.2° |
| C12 | N11 | C16 | H5 | 54.5° | 58.2° |
| C12 | N11 | C16 | H6 | 174.7° | 178.2° |
| N11 | C12 | H7 | H8 | 120.4° | 120.0° |
| C12 | N11 | C10 | H9 | 152.5° | 174.2° |
| C12 | N11 | C10 | H10 | 31.7° | 54.2° |
| F18 | C14 | C13 | F17 | 119.2° | 120.2° |
| F18 | C14 | C13 | C12 | 176.3° | 177.6° |
| F18 | C14 | C13 | H1 | 56.5° | 57.6° |
| F18 | C14 | C13 | H2 | 63.7° | 62.4° |
| F18 | C14 | C15 | H3 | 56.1° | 62.5° |
| F18 | C14 | C15 | H4 | 64.1° | 57.7° |
| C14 | C13 | C12 | H1 | 119.9° | 119.9° |
| C14 | C13 | C12 | H2 | 119.9° | 120.0° |
| C14 | C13 | H1 | H2 | 120.3° | 120.1° |
| C13 | C14 | C15 | H3 | 65.0° | 177.6° |
| C13 | C14 | C15 | H4 | 174.8° | 62.3° |
| C14 | C13 | C12 | H7 | 59.9° | 179.2° |
| C14 | C13 | C12 | H8 | 179.9° | 60.8° |
| F17 | C14 | C13 | C12 | 64.5° | 62.2° |
| F17 | C14 | C13 | H1 | 175.6° | 177.8° |
| F17 | C14 | C13 | H2 | 55.4° | 57.8° |
| F17 | C14 | C15 | H3 | 175.8° | 57.7° |
| F17 | C14 | C15 | H4 | 55.6° | 177.8° |
| C12 | C13 | H1 | H2 | 120.3° | 120.1° |
| C13 | C12 | H7 | H8 | 120.5° | 119.9° |
| H1 | C13 | C12 | H7 | 179.7° | 59.3° |
| H1 | C13 | C12 | H8 | 60.0° | 179.2° |
| H2 | C13 | C12 | H7 | 60.0° | 60.8° |
| H2 | C13 | C12 | H8 | 60.2° | 59.2° |
| H3 | C15 | C16 | H5 | 178.8° | 59.1° |
| H3 | C15 | C16 | H6 | 58.6° | 60.8° |
| H4 | C15 | C16 | H5 | 58.6° | 179.2° |
| H4 | C15 | C16 | H6 | 61.6° | 59.3° |
| H13 | C07 | H14 | H15 | 120.0° | 120.0° |
