K8V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.26Å | |
| O03 | C02 | sing | 1.34Å | 1.26Å | |
| C02 | C04 | sing | 1.51Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| O19 | C18 | doub | 1.21Å | 1.26Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| O16 | C14 | doub | 1.22Å | 1.25Å | |
| O08 | C07 | doub | 1.21Å | 1.17Å | |
| C18 | C17 | sing | 1.48Å | 1.53Å | |
| C18 | O20 | sing | 1.35Å | 1.26Å | |
| C17 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C13 | sing | 1.41Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.48Å | 1.53Å | |
| C14 | O15 | sing | 1.35Å | 1.25Å | |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| C07 | N09 | sing | 1.35Å | 1.45Å | |
| C21 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | N09 | sing | 1.39Å | 1.46Å | |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| N09 | H10 | sing | 0.97Å | 1.00Å | |
| O03 | H11 | sing | 0.97Å | 0.95Å | |
| O15 | H12 | sing | 0.97Å | 0.95Å | |
| O20 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | O03 | 119.6° | 120.1° |
| O01 | C02 | C04 | 120.7° | 119.9° |
| O03 | C02 | C04 | 119.7° | 120.0° |
| C02 | O03 | H11 | 109.5° | 116.9° |
| C02 | C04 | C05 | 112.8° | 109.5° |
| C02 | C04 | H2 | 108.7° | 109.5° |
| C02 | C04 | H3 | 108.6° | 109.5° |
| C04 | C05 | C06 | 113.3° | 109.5° |
| C05 | C04 | H2 | 108.6° | 109.4° |
| C05 | C04 | H3 | 108.6° | 109.5° |
| C04 | C05 | H4 | 108.5° | 109.4° |
| C04 | C05 | H5 | 108.5° | 109.5° |
| O19 | C18 | C17 | 119.8° | 120.0° |
| O19 | C18 | O20 | 119.9° | 120.0° |
| C05 | C06 | C07 | 110.2° | 109.5° |
| C06 | C05 | H4 | 108.5° | 109.5° |
| C06 | C05 | H5 | 108.5° | 109.5° |
| C05 | C06 | H6 | 109.3° | 109.5° |
| C05 | C06 | H7 | 109.3° | 109.5° |
| O16 | C14 | C13 | 119.3° | 120.0° |
| O16 | C14 | O15 | 120.3° | 120.0° |
| O08 | C07 | C06 | 118.6° | 119.9° |
| O08 | C07 | N09 | 121.3° | 120.0° |
| C17 | C18 | O20 | 120.3° | 120.0° |
| C18 | C17 | C21 | 118.3° | 120.2° |
| C18 | C17 | C13 | 121.4° | 120.2° |
| C18 | O20 | H13 | 109.5° | 117.0° |
| C21 | C17 | C13 | 120.3° | 119.7° |
| C17 | C21 | C10 | 119.9° | 119.9° |
| C17 | C21 | H1 | 120.1° | 120.1° |
| C17 | C13 | C14 | 121.9° | 120.2° |
| C17 | C13 | C12 | 120.0° | 119.8° |
| C13 | C14 | O15 | 120.4° | 120.0° |
| C14 | C13 | C12 | 118.0° | 120.1° |
| C14 | O15 | H12 | 109.5° | 117.1° |
| C06 | C07 | N09 | 120.1° | 120.1° |
| C07 | C06 | H6 | 109.3° | 109.4° |
| C07 | C06 | H7 | 109.3° | 109.4° |
| C07 | N09 | C10 | 126.7° | 120.0° |
| C07 | N09 | H10 | 116.7° | 120.0° |
| C21 | C10 | N09 | 123.3° | 119.8° |
| C21 | C10 | C11 | 119.6° | 120.3° |
| C10 | C21 | H1 | 120.1° | 120.0° |
| C13 | C12 | C11 | 119.6° | 120.1° |
| C13 | C12 | H9 | 120.2° | 120.0° |
| N09 | C10 | C11 | 117.1° | 119.9° |
| C10 | N09 | H10 | 116.6° | 120.0° |
| C10 | C11 | C12 | 120.7° | 120.3° |
| C10 | C11 | H8 | 119.7° | 119.8° |
| C12 | C11 | H8 | 119.6° | 119.9° |
| C11 | C12 | H9 | 120.2° | 120.0° |
| H2 | C04 | H3 | 109.5° | 109.5° |
| H4 | C05 | H5 | 109.5° | 109.5° |
| H6 | C06 | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | O03 | C04 | 179.9° | 180.0° |
| O01 | C02 | C04 | C05 | 141.4° | 0.0° |
| O01 | C02 | C04 | H2 | 98.1° | 120.0° |
| O01 | C02 | C04 | H3 | 21.0° | 120.0° |
| O01 | C02 | O03 | H11 | 0.0° | 0.0° |
| O03 | C02 | C04 | C05 | 38.7° | 180.0° |
| O03 | C02 | C04 | H2 | 81.8° | 60.0° |
| O03 | C02 | C04 | H3 | 159.2° | 60.0° |
| C02 | C04 | C05 | H2 | 120.5° | 120.0° |
| C02 | C04 | C05 | H3 | 120.5° | 120.0° |
| C02 | C04 | C05 | C06 | 158.5° | 180.0° |
| C02 | C04 | H2 | H3 | 118.5° | 120.0° |
| C02 | C04 | C05 | H4 | 80.9° | 60.0° |
| C02 | C04 | C05 | H5 | 37.9° | 60.0° |
| C04 | C02 | O03 | H11 | 179.8° | 180.0° |
| C04 | C05 | C06 | H4 | 120.6° | 120.0° |
| C04 | C05 | C06 | H5 | 120.5° | 120.0° |
| C04 | C05 | C06 | C07 | 106.0° | 180.0° |
| C05 | C04 | H2 | H3 | 118.5° | 120.0° |
| C04 | C05 | H4 | H5 | 118.2° | 120.0° |
| C04 | C05 | C06 | H6 | 14.1° | 60.0° |
| C04 | C05 | C06 | H7 | 133.9° | 60.0° |
| O19 | C18 | C17 | O20 | 179.4° | 180.0° |
| O19 | C18 | C17 | C21 | 125.7° | 174.1° |
| O19 | C18 | C17 | C13 | 52.6° | 5.9° |
| O19 | C18 | O20 | H13 | 0.0° | 0.0° |
| C05 | C06 | C07 | O08 | 44.1° | 0.0° |
| C05 | C06 | C07 | H6 | 120.1° | 120.0° |
| C05 | C06 | C07 | H7 | 120.1° | 120.1° |
| C05 | C06 | C07 | N09 | 135.3° | 179.9° |
| C06 | C05 | C04 | H2 | 38.0° | 60.0° |
| C06 | C05 | C04 | H3 | 81.0° | 60.0° |
| C06 | C05 | H4 | H5 | 118.2° | 120.0° |
| C05 | C06 | H6 | H7 | 119.7° | 120.1° |
| O16 | C14 | C13 | C17 | 135.9° | 56.2° |
| O16 | C14 | C13 | O15 | 177.1° | 180.0° |
| O16 | C14 | C13 | C12 | 44.5° | 123.4° |
| O16 | C14 | O15 | H12 | 0.0° | 0.0° |
| O08 | C07 | C06 | N09 | 179.3° | 180.0° |
| O08 | C07 | N09 | C10 | 0.5° | 4.6° |
| O08 | C07 | C06 | H6 | 164.2° | 120.0° |
| O08 | C07 | C06 | H7 | 76.1° | 120.1° |
| O08 | C07 | N09 | H10 | 179.5° | 175.4° |
| C18 | C17 | C21 | C13 | 178.4° | 180.0° |
| C18 | C17 | C13 | C14 | 1.3° | 0.0° |
| C18 | C17 | C21 | C10 | 179.7° | 180.0° |
| C18 | C17 | C13 | C12 | 179.0° | 179.7° |
| C18 | C17 | C21 | H1 | 0.3° | 0.0° |
| C17 | C18 | O20 | H13 | 179.4° | 180.0° |
| O20 | C18 | C17 | C21 | 53.7° | 6.0° |
| O20 | C18 | C17 | C13 | 127.9° | 174.1° |
| C21 | C17 | C13 | C14 | 179.7° | 180.0° |
| C17 | C21 | C10 | H1 | 180.0° | 180.0° |
| C21 | C17 | C13 | C12 | 0.7° | 0.3° |
| C17 | C21 | C10 | N09 | 179.6° | 180.0° |
| C17 | C21 | C10 | C11 | 1.2° | 0.3° |
| C17 | C13 | C14 | C12 | 179.6° | 179.7° |
| C17 | C13 | C14 | O15 | 47.0° | 123.8° |
| C13 | C17 | C21 | C10 | 1.3° | 0.0° |
| C17 | C13 | C12 | C11 | 0.1° | 0.3° |
| C13 | C17 | C21 | H1 | 178.7° | 180.0° |
| C17 | C13 | C12 | H9 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 179.7° | 180.0° |
| C14 | C13 | C12 | H9 | 0.3° | 0.3° |
| C13 | C14 | O15 | H12 | 177.0° | 180.0° |
| O15 | C14 | C13 | C12 | 132.6° | 56.6° |
| C06 | C07 | N09 | C10 | 178.8° | 175.4° |
| C07 | C06 | C05 | H4 | 133.4° | 60.0° |
| C07 | C06 | C05 | H5 | 14.6° | 60.0° |
| C07 | C06 | H6 | H7 | 119.6° | 119.9° |
| C06 | C07 | N09 | H10 | 1.2° | 4.5° |
| C07 | N09 | C10 | C21 | 13.8° | 37.9° |
| C07 | N09 | C10 | H10 | 180.0° | 179.9° |
| C07 | N09 | C10 | C11 | 165.4° | 142.4° |
| N09 | C07 | C06 | H6 | 15.2° | 59.9° |
| N09 | C07 | C06 | H7 | 104.6° | 60.0° |
| C21 | C10 | N09 | C11 | 179.2° | 179.7° |
| C21 | C10 | C11 | C12 | 0.5° | 0.3° |
| C21 | C10 | C11 | H8 | 179.4° | 179.8° |
| C21 | C10 | N09 | H10 | 166.2° | 142.2° |
| C13 | C12 | C11 | C10 | 0.0° | 0.0° |
| C13 | C12 | C11 | H9 | 180.0° | 179.7° |
| C13 | C12 | C11 | H8 | 180.0° | 179.9° |
| N09 | C10 | C11 | C12 | 179.8° | 180.0° |
| N09 | C10 | C21 | H1 | 0.4° | 0.0° |
| N09 | C10 | C11 | H8 | 0.2° | 0.1° |
| C10 | C11 | C12 | H8 | 180.0° | 179.9° |
| C11 | C10 | C21 | H1 | 178.8° | 179.7° |
| C10 | C11 | C12 | H9 | 179.9° | 179.7° |
| C11 | C10 | N09 | H10 | 14.6° | 37.5° |
| H2 | C04 | C05 | H4 | 158.6° | 180.0° |
| H2 | C04 | C05 | H5 | 82.6° | 60.0° |
| H3 | C04 | C05 | H4 | 39.6° | 60.0° |
| H3 | C04 | C05 | H5 | 158.4° | 180.0° |
| H4 | C05 | C06 | H6 | 106.4° | NaN° |
| H4 | C05 | C06 | H7 | 13.3° | 60.0° |
| H5 | C05 | C06 | H6 | 134.7° | 60.0° |
| H5 | C05 | C06 | H7 | 105.6° | 180.0° |
| H8 | C11 | C12 | H9 | 0.0° | 0.2° |
