KC7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.54Å | 1.53Å | |
| C1 | C | sing | 1.55Å | 1.53Å | |
| C2 | O1 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.54Å | 1.54Å | |
| C3 | C5 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.54Å | 1.53Å | |
| C5 | O | sing | 1.43Å | 1.41Å | |
| C4 | C | sing | 1.55Å | 1.53Å | |
| C | N | sing | 1.47Å | 1.45Å | |
| N | C6 | sing | 1.38Å | 1.36Å | |
| C6 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | C7 | doub | 1.41Å | 1.43Å | Aromatic |
| N2 | C13 | doub | 1.32Å | 1.36Å | Aromatic |
| C13 | N1 | sing | 1.31Å | 1.32Å | Aromatic |
| N1 | C12 | doub | 1.34Å | 1.38Å | Aromatic |
| C12 | C7 | sing | 1.42Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.36Å | 1.35Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.36Å | Aromatic |
| C8 | O3 | sing | 1.36Å | 1.37Å | |
| O3 | C14 | sing | 1.43Å | 1.41Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C15 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | HA | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| O1 | HB | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| O | HC | sing | 0.97Å | 0.95Å | |
| N | HD | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | C2 | 113.1° | 110.5° |
| O2 | C1 | C | 112.6° | 110.5° |
| C1 | O2 | H2 | 109.5° | 114.0° |
| O2 | C1 | H1 | 110.5° | 110.4° |
| C2 | C1 | C | 102.5° | 104.2° |
| C1 | C2 | O1 | 112.8° | 110.0° |
| C1 | C2 | C3 | 104.4° | 106.6° |
| C2 | C1 | H1 | 108.9° | 110.5° |
| C1 | C2 | HA | 108.7° | 110.1° |
| C1 | C | C4 | 102.9° | 102.8° |
| C1 | C | N | 112.4° | 110.7° |
| C | C1 | H1 | 108.9° | 110.6° |
| C1 | C | H | 109.2° | 110.7° |
| O1 | C2 | C3 | 112.0° | 110.1° |
| O1 | C2 | HA | 110.1° | 110.0° |
| C2 | O1 | HB | 109.5° | 114.0° |
| C2 | C3 | C5 | 114.0° | 110.1° |
| C2 | C3 | C4 | 104.3° | 106.6° |
| C3 | C2 | HA | 108.6° | 110.1° |
| C2 | C3 | H3 | 108.0° | 110.1° |
| C5 | C3 | C4 | 114.0° | 110.0° |
| C3 | C5 | O | 111.4° | 109.5° |
| C5 | C3 | H3 | 108.3° | 110.0° |
| C3 | C5 | H51C | 109.0° | 109.5° |
| C3 | C5 | H52C | 109.0° | 109.5° |
| C3 | C4 | C | 108.1° | 104.2° |
| C4 | C3 | H3 | 108.1° | 110.1° |
| C3 | C4 | H41C | 109.8° | 110.5° |
| C3 | C4 | H42C | 109.8° | 110.5° |
| O | C5 | H51C | 109.0° | 109.5° |
| O | C5 | H52C | 109.0° | 109.5° |
| C5 | O | HC | 109.5° | 114.1° |
| C4 | C | N | 112.6° | 110.8° |
| C4 | C | H | 109.2° | 110.8° |
| C | C4 | H41C | 109.8° | 110.5° |
| C | C4 | H42C | 109.8° | 110.5° |
| C | N | C6 | 122.7° | 120.0° |
| N | C | H | 110.3° | 110.8° |
| C | N | HD | 106.1° | 120.0° |
| N | C6 | N2 | 118.7° | 120.9° |
| N | C6 | C7 | 119.3° | 120.9° |
| C6 | N | HD | 106.1° | 120.0° |
| N2 | C6 | C7 | 122.0° | 118.2° |
| C6 | N2 | C13 | 115.9° | 121.5° |
| C6 | C7 | C12 | 115.7° | 118.3° |
| C6 | C7 | C8 | 126.0° | 122.1° |
| N2 | C13 | N1 | 128.5° | 122.9° |
| N2 | C13 | H13 | 115.8° | 118.6° |
| C13 | N1 | C12 | 114.8° | 120.5° |
| N1 | C13 | H13 | 115.7° | 118.5° |
| N1 | C12 | C7 | 123.1° | 118.6° |
| N1 | C12 | C11 | 116.9° | 121.9° |
| C7 | C12 | C11 | 119.9° | 119.5° |
| C12 | C7 | C8 | 118.3° | 119.6° |
| C12 | C11 | C10 | 119.9° | 119.9° |
| C12 | C11 | H11 | 120.0° | 120.1° |
| C7 | C8 | C9 | 121.4° | 119.3° |
| C7 | C8 | O3 | 115.4° | 120.4° |
| C11 | C10 | C9 | 121.1° | 121.1° |
| C10 | C11 | H11 | 120.0° | 120.0° |
| C11 | C10 | H10 | 119.4° | 119.5° |
| C10 | C9 | C8 | 119.3° | 120.7° |
| C9 | C10 | H10 | 119.5° | 119.4° |
| C10 | C9 | H9 | 120.3° | 119.6° |
| C9 | C8 | O3 | 123.1° | 120.3° |
| C8 | C9 | H9 | 120.4° | 119.7° |
| C8 | O3 | C14 | 118.7° | 117.0° |
| O3 | C14 | C15 | 104.9° | 109.5° |
| O3 | C14 | H141 | 110.6° | 109.5° |
| O3 | C14 | H142 | 110.6° | 109.5° |
| C14 | C15 | C20 | 120.6° | 120.0° |
| C14 | C15 | C16 | 119.9° | 120.0° |
| C15 | C14 | H141 | 110.6° | 109.5° |
| C15 | C14 | H142 | 110.6° | 109.4° |
| C20 | C15 | C16 | 119.5° | 120.0° |
| C15 | C20 | C19 | 119.9° | 120.0° |
| C15 | C20 | H20 | 120.0° | 120.0° |
| C15 | C16 | C17 | 120.3° | 120.0° |
| C15 | C16 | H16 | 119.8° | 120.0° |
| C20 | C19 | C18 | 120.4° | 120.0° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C20 | C19 | H19 | 119.8° | 120.0° |
| C19 | C18 | C17 | 119.7° | 120.0° |
| C18 | C19 | H19 | 119.8° | 120.0° |
| C19 | C18 | H18 | 120.1° | 120.0° |
| C18 | C17 | C16 | 120.1° | 120.0° |
| C17 | C18 | H18 | 120.2° | 120.0° |
| C18 | C17 | H17 | 119.9° | 120.0° |
| C17 | C16 | H16 | 119.8° | 119.9° |
| C16 | C17 | H17 | 119.9° | 120.0° |
| H51C | C5 | H52C | 109.4° | 109.5° |
| H41C | C4 | H42C | 109.5° | 110.5° |
| H141 | C14 | H142 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | C2 | C | 121.5° | 118.7° |
| O2 | C1 | C2 | H1 | 123.2° | 122.4° |
| O2 | C1 | C | H1 | 122.9° | 122.6° |
| O2 | C1 | C2 | O1 | 40.7° | 23.0° |
| O2 | C1 | C2 | C3 | 162.6° | 142.3° |
| O2 | C1 | C | C4 | 161.2° | 156.6° |
| O2 | C1 | C | N | 77.4° | 85.0° |
| O2 | C1 | C2 | HA | 81.7° | 98.3° |
| O2 | C1 | C | H | 45.4° | 38.3° |
| C2 | C1 | C | H1 | 115.3° | 118.7° |
| C1 | C2 | O1 | C3 | 117.5° | 117.2° |
| C1 | C2 | O1 | HA | 121.6° | 121.4° |
| C1 | C2 | C3 | HA | 115.8° | 119.3° |
| C1 | C2 | C3 | C5 | 98.8° | 119.3° |
| C1 | C2 | C3 | C4 | 26.1° | 0.0° |
| C2 | C1 | C | C4 | 39.4° | 37.9° |
| C2 | C1 | C | N | 160.8° | 156.3° |
| C2 | C1 | O2 | H2 | 180.0° | 61.5° |
| C2 | C1 | C | H | 76.4° | 80.4° |
| C1 | C2 | O1 | HB | 180.0° | 61.5° |
| C1 | C2 | C3 | H3 | 140.9° | 119.3° |
| C | C1 | C2 | O1 | 80.7° | 95.7° |
| C | C1 | C2 | C3 | 41.1° | 23.6° |
| C1 | C | C4 | C3 | 23.7° | 37.9° |
| C1 | C | C4 | N | 121.2° | 118.3° |
| C1 | C | C4 | H | 115.9° | 118.3° |
| C1 | C | N | H | 122.1° | 123.3° |
| C1 | C | N | C6 | 123.8° | 86.4° |
| C | C1 | O2 | H2 | 64.4° | 176.2° |
| C | C1 | C2 | HA | 156.9° | 143.0° |
| C1 | C | C4 | H41C | 143.5° | 156.6° |
| C1 | C | C4 | H42C | 96.1° | 80.7° |
| C1 | C | N | HD | 114.4° | 93.6° |
| O1 | C2 | C3 | HA | 121.8° | 121.4° |
| O1 | C2 | C3 | C5 | 138.8° | 121.4° |
| O1 | C2 | C3 | C4 | 96.3° | 119.3° |
| O1 | C2 | C1 | H1 | 164.0° | 145.5° |
| O1 | C2 | C3 | H3 | 18.5° | 0.0° |
| C2 | C3 | C5 | C4 | 119.6° | 117.2° |
| C2 | C3 | C5 | H3 | 120.2° | 121.4° |
| C2 | C3 | C4 | H3 | 114.7° | 119.3° |
| C2 | C3 | C5 | O | 62.6° | 175.0° |
| C2 | C3 | C4 | C | 1.4° | 23.6° |
| C3 | C2 | C1 | H1 | 74.2° | 95.2° |
| C3 | C2 | O1 | HB | 62.5° | 178.6° |
| C2 | C3 | C5 | H51C | 57.8° | 55.0° |
| C2 | C3 | C5 | H52C | 177.1° | 65.0° |
| C2 | C3 | C4 | H41C | 118.4° | 142.3° |
| C2 | C3 | C4 | H42C | 121.2° | 95.1° |
| C5 | C3 | C4 | H3 | 120.4° | 121.3° |
| C3 | C5 | O | H51C | 120.3° | 120.0° |
| C3 | C5 | O | H52C | 120.3° | 120.0° |
| C5 | C3 | C4 | C | 123.5° | 142.9° |
| C5 | C3 | C2 | HA | 17.0° | 0.0° |
| C3 | C5 | H51C | H52C | 119.1° | 120.0° |
| C5 | C3 | C4 | H41C | 116.7° | 98.4° |
| C5 | C3 | C4 | H42C | 3.7° | 24.3° |
| C3 | C5 | O | HC | 180.0° | 180.0° |
| C4 | C3 | C5 | O | 177.9° | 67.8° |
| C3 | C4 | C | H41C | 119.8° | 118.7° |
| C3 | C4 | C | H42C | 119.8° | 118.7° |
| C3 | C4 | C | N | 144.9° | 156.3° |
| C4 | C3 | C2 | HA | 141.9° | 119.3° |
| C3 | C4 | C | H | 92.2° | 80.3° |
| C4 | C3 | C5 | H51C | 61.8° | 172.2° |
| C4 | C3 | C5 | H52C | 57.6° | 52.2° |
| C3 | C4 | H41C | H42C | 120.6° | 122.6° |
| O | C5 | C3 | H3 | 57.6° | 53.6° |
| O | C5 | H51C | H52C | 119.2° | 120.0° |
| C4 | C | N | H | 122.2° | 123.4° |
| C4 | C | N | C6 | 120.5° | 160.2° |
| C4 | C | C1 | H1 | 75.9° | 80.8° |
| C | C4 | C3 | H3 | 116.1° | 95.7° |
| C | C4 | H41C | H42C | 120.6° | 122.7° |
| C4 | C | N | HD | 1.3° | 19.8° |
| C | N | C6 | HD | 121.8° | 180.0° |
| C | N | C6 | N2 | 0.1° | 5.2° |
| C | N | C6 | C7 | 179.4° | 174.5° |
| N | C | C1 | H1 | 45.5° | 37.6° |
| N | C | C4 | H41C | 95.3° | 85.1° |
| N | C | C4 | H42C | 25.2° | 37.6° |
| N | C6 | N2 | C7 | 179.5° | 179.8° |
| N | C6 | N2 | C13 | 179.2° | 180.0° |
| N | C6 | C7 | C12 | 178.9° | 179.7° |
| N | C6 | C7 | C8 | 0.4° | 0.0° |
| C6 | N | C | H | 1.7° | 36.8° |
| C6 | N2 | C13 | N1 | 0.0° | 0.1° |
| N2 | C6 | C7 | C12 | 0.5° | 0.5° |
| N2 | C6 | C7 | C8 | 179.1° | 179.7° |
| N2 | C6 | N | HD | 121.7° | 174.8° |
| C6 | N2 | C13 | H13 | 180.0° | 180.0° |
| C7 | C6 | N2 | C13 | 0.3° | 0.2° |
| C6 | C7 | C12 | N1 | 0.5° | 0.5° |
| C6 | C7 | C12 | C8 | 178.7° | 179.8° |
| C6 | C7 | C12 | C11 | 178.3° | 179.7° |
| C6 | C7 | C8 | C9 | 177.5° | 179.1° |
| C6 | C7 | C8 | O3 | 4.3° | 0.0° |
| C7 | C6 | N | HD | 58.9° | 5.5° |
| N2 | C13 | N1 | H13 | 180.0° | 179.9° |
| N2 | C13 | N1 | C12 | 0.0° | 0.0° |
| C13 | N1 | C12 | C7 | 0.2° | 0.3° |
| C13 | N1 | C12 | C11 | 178.6° | 180.0° |
| N1 | C12 | C7 | C11 | 178.8° | 179.7° |
| N1 | C12 | C7 | C8 | 179.2° | 179.7° |
| N1 | C12 | C11 | C10 | 178.4° | 180.0° |
| C12 | N1 | C13 | H13 | 180.0° | 180.0° |
| N1 | C12 | C11 | H11 | 1.6° | 0.1° |
| C7 | C12 | C11 | C10 | 0.4° | 0.3° |
| C12 | C7 | C8 | C9 | 1.1° | 0.7° |
| C12 | C7 | C8 | O3 | 177.2° | 179.7° |
| C7 | C12 | C11 | H11 | 179.6° | 179.8° |
| C11 | C12 | C7 | C8 | 0.4° | 0.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 0.6° | 0.0° |
| C12 | C11 | C10 | H10 | 179.4° | 180.0° |
| C7 | C8 | C9 | C10 | 0.9° | 1.0° |
| C7 | C8 | C9 | O3 | 178.1° | 179.1° |
| C7 | C8 | O3 | C14 | 153.5° | 180.0° |
| C7 | C8 | C9 | H9 | 179.1° | 179.7° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.0° | 0.6° |
| C11 | C10 | C9 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | H9 | 180.0° | 179.3° |
| C10 | C9 | C8 | O3 | 177.2° | 179.9° |
| C9 | C10 | C11 | H11 | 179.4° | 179.9° |
| C9 | C8 | O3 | C14 | 28.3° | 0.9° |
| C8 | C9 | C10 | H10 | 179.9° | 179.4° |
| C8 | O3 | C14 | C15 | 173.6° | 180.0° |
| O3 | C8 | C9 | H9 | 2.7° | 0.6° |
| C8 | O3 | C14 | H141 | 54.3° | 60.0° |
| C8 | O3 | C14 | H142 | 67.1° | 60.0° |
| O3 | C14 | C15 | H141 | 119.3° | 120.1° |
| O3 | C14 | C15 | H142 | 119.3° | 120.0° |
| O3 | C14 | C15 | C20 | 106.1° | 90.0° |
| O3 | C14 | C15 | C16 | 73.1° | 90.3° |
| O3 | C14 | H141 | H142 | 122.1° | 120.0° |
| C14 | C15 | C20 | C16 | 179.1° | 179.7° |
| C14 | C15 | C20 | C19 | 178.8° | 180.0° |
| C14 | C15 | C16 | C17 | 178.8° | 179.8° |
| C15 | C14 | H141 | H142 | 122.1° | 119.9° |
| C14 | C15 | C20 | H20 | 1.2° | 0.1° |
| C14 | C15 | C16 | H16 | 1.2° | 0.0° |
| C15 | C20 | C19 | H20 | 180.0° | 179.9° |
| C15 | C20 | C19 | C18 | 0.1° | 0.0° |
| C20 | C15 | C16 | C17 | 0.4° | 0.5° |
| C20 | C15 | C14 | H141 | 13.2° | 30.0° |
| C20 | C15 | C14 | H142 | 134.7° | 150.0° |
| C20 | C15 | C16 | H16 | 179.6° | 179.7° |
| C15 | C20 | C19 | H19 | 179.9° | 179.9° |
| C16 | C15 | C20 | C19 | 0.3° | 0.3° |
| C15 | C16 | C17 | C18 | 0.2° | 0.4° |
| C15 | C16 | C17 | H16 | 180.0° | 179.8° |
| C16 | C15 | C14 | H141 | 167.6° | 149.7° |
| C16 | C15 | C14 | H142 | 46.2° | 29.7° |
| C16 | C15 | C20 | H20 | 179.7° | 179.8° |
| C15 | C16 | C17 | H17 | 179.8° | 179.7° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.1° | 0.0° |
| C20 | C19 | C18 | H18 | 179.9° | 179.9° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.1° | 0.2° |
| C18 | C19 | C20 | H20 | 179.9° | 180.0° |
| C19 | C18 | C17 | H17 | 179.9° | 179.9° |
| C18 | C17 | C16 | H17 | 180.0° | 179.9° |
| C18 | C17 | C16 | H16 | 179.8° | 179.7° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| C16 | C17 | C18 | H18 | 179.9° | 179.9° |
| H2 | O2 | C1 | H1 | 57.6° | 61.0° |
| H1 | C1 | C2 | HA | 41.6° | 24.1° |
| H1 | C1 | C | H | 168.2° | 160.9° |
| HA | C2 | O1 | HB | 58.4° | 59.9° |
| HA | C2 | C3 | H3 | 103.3° | 121.3° |
| H | C | C4 | H41C | 27.6° | 38.3° |
| H | C | C4 | H42C | 148.0° | 161.0° |
| H | C | N | HD | 123.5° | 143.1° |
| H3 | C3 | C5 | H51C | 177.9° | 66.4° |
| H3 | C3 | C5 | H52C | 62.7° | 173.6° |
| H3 | C3 | C4 | H41C | 3.7° | 23.0° |
| H3 | C3 | C4 | H42C | 124.1° | 145.6° |
| H51C | C5 | O | HC | 59.7° | 60.0° |
| H52C | C5 | O | HC | 59.7° | 60.0° |
| H11 | C11 | C10 | H10 | 0.6° | 0.1° |
| H10 | C10 | C9 | H9 | 0.0° | 0.1° |
| H20 | C20 | C19 | H19 | 0.1° | 0.0° |
| H16 | C16 | C17 | H17 | 0.2° | 0.1° |
| H19 | C19 | C18 | H18 | 0.1° | 0.1° |
| H18 | C18 | C17 | H17 | 0.1° | 0.0° |
