KC9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.35Å | 1.36Å | |
| C1 | O3 | doub | 1.22Å | 1.21Å | |
| C1 | C5 | sing | 1.48Å | 1.48Å | |
| N2 | C29 | sing | 1.48Å | 1.49Å | |
| N2 | C30 | sing | 1.48Å | 1.48Å | |
| C4 | N9 | sing | 1.36Å | 1.37Å | Aromatic |
| C4 | C6 | sing | 1.47Å | 1.50Å | |
| C4 | C5 | doub | 1.39Å | 1.42Å | Aromatic |
| C5 | C12 | sing | 1.41Å | 1.42Å | Aromatic |
| C6 | N13 | sing | 1.35Å | 1.36Å | |
| C6 | O17 | doub | 1.22Å | 1.22Å | |
| C7 | C16 | sing | 1.48Å | 1.48Å | |
| C7 | N8 | doub | 1.31Å | 1.33Å | Aromatic |
| C7 | O11 | sing | 1.35Å | 1.37Å | Aromatic |
| N8 | C14 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | N10 | sing | 1.40Å | 1.41Å | Aromatic |
| N9 | C20 | sing | 1.46Å | 1.47Å | |
| N10 | C12 | doub | 1.31Å | 1.32Å | Aromatic |
| O11 | C15 | sing | 1.35Å | 1.37Å | Aromatic |
| N13 | C18 | sing | 1.40Å | 1.43Å | |
| C14 | C15 | doub | 1.40Å | 1.43Å | Aromatic |
| C14 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C16 | C19 | sing | 1.40Å | 1.43Å | Aromatic |
| C18 | C25 | sing | 1.39Å | 1.42Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.54Å | 1.54Å | |
| C28 | C30 | sing | 1.54Å | 1.55Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| N13 | H11 | sing | 0.97Å | 1.00Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | O3 | 118.2° | 120.0° |
| N2 | C1 | C5 | 122.3° | 120.0° |
| C1 | N2 | C29 | 134.3° | 134.5° |
| C1 | N2 | C30 | 135.6° | 134.5° |
| O3 | C1 | C5 | 119.5° | 120.0° |
| C1 | C5 | C4 | 129.3° | 126.4° |
| C1 | C5 | C12 | 122.7° | 126.4° |
| C29 | N2 | C30 | 90.1° | 91.0° |
| N2 | C29 | C28 | 90.6° | 86.1° |
| N2 | C29 | H16 | 114.0° | 113.8° |
| N2 | C29 | H17 | 114.0° | 113.8° |
| N2 | C30 | C28 | 90.5° | 86.1° |
| N2 | C30 | H18 | 114.0° | 113.7° |
| N2 | C30 | H19 | 114.0° | 113.7° |
| N9 | C4 | C6 | 122.9° | 126.6° |
| N9 | C4 | C5 | 105.6° | 107.0° |
| C4 | N9 | N10 | 108.8° | 108.2° |
| C4 | N9 | C20 | 126.2° | 125.9° |
| C6 | C4 | C5 | 131.2° | 126.5° |
| C4 | C6 | N13 | 118.0° | 120.0° |
| C4 | C6 | O17 | 120.0° | 120.0° |
| C4 | C5 | C12 | 108.0° | 107.2° |
| C5 | C12 | N10 | 107.9° | 108.5° |
| C5 | C12 | H10 | 126.1° | 125.8° |
| N13 | C6 | O17 | 121.6° | 120.0° |
| C6 | N13 | C18 | 131.9° | 120.0° |
| C6 | N13 | H11 | 114.0° | 120.0° |
| C16 | C7 | N8 | 125.2° | 125.0° |
| C16 | C7 | O11 | 124.2° | 125.0° |
| C7 | C16 | C21 | 116.2° | 120.1° |
| C7 | C16 | C19 | 121.6° | 120.1° |
| N8 | C7 | O11 | 110.1° | 110.0° |
| C7 | N8 | C14 | 108.8° | 108.8° |
| C7 | O11 | C15 | 107.5° | 108.1° |
| N8 | C14 | C15 | 106.8° | 106.6° |
| N8 | C14 | C23 | 133.4° | 133.7° |
| N10 | N9 | C20 | 124.8° | 126.0° |
| N9 | N10 | C12 | 109.7° | 109.2° |
| N9 | C20 | H1 | 109.5° | 109.5° |
| N9 | C20 | H2 | 109.5° | 109.4° |
| N9 | C20 | H3 | 109.5° | 109.5° |
| N10 | C12 | H10 | 126.1° | 125.7° |
| O11 | C15 | C14 | 106.7° | 106.4° |
| O11 | C15 | C24 | 134.1° | 133.8° |
| N13 | C18 | C25 | 114.4° | 120.0° |
| N13 | C18 | C19 | 127.1° | 120.0° |
| C18 | N13 | H11 | 114.1° | 120.0° |
| C15 | C14 | C23 | 119.8° | 119.7° |
| C14 | C15 | C24 | 119.2° | 119.8° |
| C14 | C23 | C26 | 119.9° | 119.7° |
| C14 | C23 | H13 | 120.1° | 120.2° |
| C15 | C24 | C27 | 119.9° | 119.9° |
| C15 | C24 | H6 | 120.0° | 120.1° |
| C21 | C16 | C19 | 121.8° | 119.8° |
| C16 | C21 | C22 | 120.3° | 120.0° |
| C16 | C21 | H4 | 119.9° | 120.0° |
| C16 | C19 | C18 | 118.0° | 119.7° |
| C16 | C19 | H12 | 121.0° | 120.1° |
| C25 | C18 | C19 | 118.5° | 120.1° |
| C18 | C25 | C22 | 123.3° | 120.2° |
| C18 | C25 | H14 | 118.4° | 119.9° |
| C18 | C19 | H12 | 121.0° | 120.1° |
| C21 | C22 | C25 | 118.2° | 120.2° |
| C22 | C21 | H4 | 119.9° | 120.0° |
| C21 | C22 | H5 | 120.9° | 119.9° |
| C25 | C22 | H5 | 120.9° | 119.9° |
| C22 | C25 | H14 | 118.3° | 119.9° |
| C23 | C26 | C27 | 120.4° | 120.4° |
| C23 | C26 | H7 | 119.8° | 119.8° |
| C26 | C23 | H13 | 120.1° | 120.1° |
| C24 | C27 | C26 | 120.9° | 120.5° |
| C27 | C24 | H6 | 120.1° | 120.1° |
| C24 | C27 | H15 | 119.6° | 119.7° |
| C27 | C26 | H7 | 119.8° | 119.9° |
| C26 | C27 | H15 | 119.5° | 119.7° |
| C29 | C28 | C30 | 85.6° | 86.3° |
| C29 | C28 | H8 | 115.0° | 113.8° |
| C29 | C28 | H9 | 115.1° | 113.7° |
| C28 | C29 | H16 | 114.0° | 113.8° |
| C28 | C29 | H17 | 114.0° | 113.7° |
| C30 | C28 | H8 | 115.1° | 113.7° |
| C30 | C28 | H9 | 115.1° | 113.7° |
| C28 | C30 | H18 | 114.0° | 113.8° |
| C28 | C30 | H19 | 113.9° | 113.7° |
| H1 | C20 | H2 | 109.4° | 109.5° |
| H1 | C20 | H3 | 109.5° | 109.5° |
| H2 | C20 | H3 | 109.5° | 109.4° |
| H8 | C28 | H9 | 109.5° | 113.1° |
| H16 | C29 | H17 | 109.5° | 113.0° |
| H18 | C30 | H19 | 109.5° | 113.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | O3 | C5 | 179.6° | 180.0° |
| C1 | N2 | C29 | C30 | 179.0° | 180.0° |
| N2 | C1 | C5 | C4 | 136.0° | 180.0° |
| N2 | C1 | C5 | C12 | 42.5° | 0.0° |
| C1 | N2 | C29 | C28 | 165.0° | 155.4° |
| C1 | N2 | C30 | C28 | 165.2° | 155.4° |
| C1 | N2 | C29 | H16 | 78.3° | 41.1° |
| C1 | N2 | C29 | H17 | 48.4° | 90.3° |
| C1 | N2 | C30 | H18 | 48.5° | 90.3° |
| C1 | N2 | C30 | H19 | 78.2° | 41.1° |
| O3 | C1 | N2 | C29 | 0.5° | 0.0° |
| O3 | C1 | N2 | C30 | 179.0° | 180.0° |
| O3 | C1 | C5 | C4 | 44.3° | 0.0° |
| O3 | C1 | C5 | C12 | 137.1° | 180.0° |
| C5 | C1 | N2 | C29 | 179.9° | 180.0° |
| C5 | C1 | N2 | C30 | 1.3° | 0.0° |
| C1 | C5 | C4 | N9 | 179.2° | 180.0° |
| C1 | C5 | C4 | C6 | 5.1° | 0.3° |
| C1 | C5 | C4 | C12 | 178.7° | 180.0° |
| C1 | C5 | C12 | N10 | 179.4° | 179.7° |
| C1 | C5 | C12 | H10 | 0.6° | 0.0° |
| N2 | C29 | C28 | H16 | 116.7° | 114.4° |
| N2 | C29 | C28 | H17 | 116.7° | 114.3° |
| C29 | N2 | C30 | C28 | 13.8° | 24.6° |
| N2 | C29 | C28 | H8 | 129.0° | 137.9° |
| N2 | C29 | C28 | H9 | 102.4° | 90.7° |
| N2 | C29 | H16 | H17 | 128.9° | 131.8° |
| C29 | N2 | C30 | H18 | 130.5° | 89.7° |
| C29 | N2 | C30 | H19 | 102.8° | 138.9° |
| N2 | C30 | C28 | H18 | 116.7° | 114.3° |
| N2 | C30 | C28 | H19 | 116.7° | 114.3° |
| N2 | C30 | C28 | H8 | 129.1° | 137.9° |
| N2 | C30 | C28 | H9 | 102.3° | 90.7° |
| C30 | N2 | C29 | H16 | 102.8° | 139.0° |
| C30 | N2 | C29 | H17 | 130.6° | 89.6° |
| N2 | C30 | H18 | H19 | 129.0° | 131.7° |
| N9 | C4 | C6 | C5 | 173.2° | 179.7° |
| N9 | C4 | C5 | C12 | 2.1° | 0.0° |
| N9 | C4 | C6 | N13 | 148.1° | 87.9° |
| N9 | C4 | C6 | O17 | 25.7° | 92.1° |
| C4 | N9 | N10 | C20 | 175.5° | 180.0° |
| C4 | N9 | N10 | C12 | 0.5° | 0.4° |
| C4 | N9 | C20 | H1 | 174.8° | 84.7° |
| C4 | N9 | C20 | H2 | 54.8° | 155.3° |
| C4 | N9 | C20 | H3 | 65.2° | 35.3° |
| C6 | C4 | C5 | C12 | 176.2° | 179.7° |
| C4 | C6 | N13 | O17 | 173.7° | 180.0° |
| C6 | C4 | N9 | N10 | 176.3° | 180.0° |
| C6 | C4 | N9 | C20 | 8.2° | 0.0° |
| C4 | C6 | N13 | C18 | 175.2° | 175.0° |
| C4 | C6 | N13 | H11 | 4.9° | 5.0° |
| C5 | C4 | C6 | N13 | 25.1° | 91.8° |
| C5 | C4 | C6 | O17 | 161.1° | 88.2° |
| C5 | C4 | N9 | N10 | 1.6° | 0.2° |
| C5 | C4 | N9 | C20 | 177.1° | 179.7° |
| C4 | C5 | C12 | N10 | 1.8° | 0.3° |
| C4 | C5 | C12 | H10 | 178.2° | 180.0° |
| C5 | C12 | N10 | N9 | 0.8° | 0.4° |
| C5 | C12 | N10 | H10 | 180.0° | 179.7° |
| C6 | N13 | C18 | H11 | 180.0° | 180.0° |
| C6 | N13 | C18 | C25 | 153.9° | 35.7° |
| C6 | N13 | C18 | C19 | 24.2° | 143.9° |
| O17 | C6 | N13 | C18 | 1.5° | 5.0° |
| O17 | C6 | N13 | H11 | 178.5° | 174.9° |
| C16 | C7 | N8 | O11 | 172.8° | 179.7° |
| C16 | C7 | N8 | C14 | 175.3° | 180.0° |
| C16 | C7 | O11 | C15 | 175.4° | 180.0° |
| C7 | C16 | C21 | C19 | 173.1° | 179.9° |
| C7 | C16 | C19 | C18 | 174.8° | 180.0° |
| C7 | C16 | C21 | C22 | 176.0° | 180.0° |
| C7 | C16 | C21 | H4 | 4.0° | 0.2° |
| C7 | C16 | C19 | H12 | 5.2° | 0.0° |
| N8 | C7 | O11 | C15 | 2.5° | 0.3° |
| C7 | N8 | C14 | C15 | 1.5° | 0.2° |
| C7 | N8 | C14 | C23 | 177.7° | 180.0° |
| N8 | C7 | C16 | C21 | 179.7° | 0.1° |
| N8 | C7 | C16 | C19 | 7.2° | 180.0° |
| O11 | C7 | N8 | C14 | 2.4° | 0.3° |
| C7 | O11 | C15 | C14 | 1.5° | 0.1° |
| C7 | O11 | C15 | C24 | 178.2° | 180.0° |
| O11 | C7 | C16 | C21 | 8.4° | 179.7° |
| O11 | C7 | C16 | C19 | 164.7° | 0.3° |
| N8 | C14 | C15 | O11 | 0.1° | 0.0° |
| N8 | C14 | C15 | C23 | 179.3° | 179.8° |
| N8 | C14 | C15 | C24 | 179.7° | 179.9° |
| N8 | C14 | C23 | C26 | 179.8° | 180.0° |
| N8 | C14 | C23 | H13 | 0.1° | 0.0° |
| N10 | N9 | C20 | H1 | 0.0° | 95.3° |
| N10 | N9 | C20 | H2 | 120.0° | 24.7° |
| N10 | N9 | C20 | H3 | 120.0° | 144.7° |
| N9 | N10 | C12 | H10 | 179.2° | 179.9° |
| C20 | N9 | N10 | C12 | 176.1° | 179.6° |
| N9 | C20 | H1 | H2 | 120.0° | 120.0° |
| N9 | C20 | H1 | H3 | 120.0° | 120.1° |
| N9 | C20 | H2 | H3 | 120.0° | 120.0° |
| O11 | C15 | C14 | C24 | 179.7° | 179.9° |
| O11 | C15 | C14 | C23 | 179.3° | 179.9° |
| O11 | C15 | C24 | C27 | 179.6° | 180.0° |
| O11 | C15 | C24 | H6 | 0.4° | 0.0° |
| N13 | C18 | C19 | C16 | 177.8° | 179.7° |
| N13 | C18 | C25 | C19 | 178.3° | 179.5° |
| N13 | C18 | C25 | C22 | 179.2° | 180.0° |
| N13 | C18 | C19 | H12 | 2.2° | 0.3° |
| N13 | C18 | C25 | H14 | 0.8° | 0.5° |
| C15 | C14 | C23 | C26 | 1.1° | 0.2° |
| C14 | C15 | C24 | C27 | 0.1° | 0.2° |
| C14 | C15 | C24 | H6 | 179.9° | 179.9° |
| C15 | C14 | C23 | H13 | 178.9° | 179.8° |
| C23 | C14 | C15 | C24 | 0.4° | 0.0° |
| C14 | C23 | C26 | H13 | 180.0° | 180.0° |
| C14 | C23 | C26 | C27 | 1.5° | 0.1° |
| C14 | C23 | C26 | H7 | 178.5° | 179.8° |
| C15 | C24 | C27 | H6 | 180.0° | 180.0° |
| C15 | C24 | C27 | C26 | 0.4° | 0.2° |
| C15 | C24 | C27 | H15 | 179.6° | 180.0° |
| C21 | C16 | C19 | C18 | 2.1° | 0.1° |
| C16 | C21 | C22 | H4 | 180.0° | 179.8° |
| C16 | C21 | C22 | C25 | 1.7° | 0.3° |
| C16 | C21 | C22 | H5 | 178.3° | 179.8° |
| C21 | C16 | C19 | H12 | 177.9° | 180.0° |
| C16 | C19 | C18 | C25 | 0.2° | 0.2° |
| C16 | C19 | C18 | H12 | 180.0° | 180.0° |
| C19 | C16 | C21 | C22 | 2.9° | 0.0° |
| C19 | C16 | C21 | H4 | 177.1° | 179.8° |
| C18 | C25 | C22 | C21 | 0.2° | 0.5° |
| C18 | C25 | C22 | H14 | 180.0° | 179.5° |
| C18 | C25 | C22 | H5 | 179.8° | 179.5° |
| C25 | C18 | N13 | H11 | 26.1° | 144.3° |
| C25 | C18 | C19 | H12 | 179.8° | 179.8° |
| C19 | C18 | C25 | C22 | 1.0° | 0.5° |
| C19 | C18 | N13 | H11 | 155.8° | 36.2° |
| C19 | C18 | C25 | H14 | 179.0° | 180.0° |
| C21 | C22 | C25 | H5 | 180.0° | 179.9° |
| C21 | C22 | C25 | H14 | 179.8° | 180.0° |
| C25 | C22 | C21 | H4 | 178.3° | 180.0° |
| C23 | C26 | C27 | C24 | 1.2° | 0.1° |
| C23 | C26 | C27 | H7 | 180.0° | 179.9° |
| C23 | C26 | C27 | H15 | 178.9° | 179.8° |
| C24 | C27 | C26 | H15 | 180.0° | 179.8° |
| C24 | C27 | C26 | H7 | 178.8° | 180.0° |
| C26 | C27 | C24 | H6 | 179.6° | 179.8° |
| C27 | C26 | C23 | H13 | 178.5° | 179.8° |
| C29 | C28 | C30 | H8 | 115.6° | 114.3° |
| C29 | C28 | C30 | H9 | 115.7° | 114.3° |
| C29 | C28 | H8 | H9 | 131.4° | 131.7° |
| C28 | C29 | H16 | H17 | 128.9° | 131.7° |
| C29 | C28 | C30 | H18 | 130.1° | 90.7° |
| C29 | C28 | C30 | H19 | 103.3° | 137.9° |
| C30 | C28 | H8 | H9 | 131.4° | 131.6° |
| C30 | C28 | C29 | H16 | 103.4° | 138.0° |
| C30 | C28 | C29 | H17 | 129.9° | 90.7° |
| C28 | C30 | H18 | H19 | 129.0° | 131.8° |
| H1 | C20 | H2 | H3 | 120.0° | 120.0° |
| H4 | C21 | C22 | H5 | 1.7° | 0.0° |
| H5 | C22 | C25 | H14 | 0.2° | 0.0° |
| H6 | C24 | C27 | H15 | 0.4° | 0.0° |
| H7 | C26 | C23 | H13 | 1.5° | 0.2° |
| H7 | C26 | C27 | H15 | 1.2° | 0.2° |
| H8 | C28 | C29 | H16 | 12.3° | 107.8° |
| H8 | C28 | C29 | H17 | 114.4° | 23.6° |
| H8 | C28 | C30 | H18 | 114.3° | 23.7° |
| H8 | C28 | C30 | H19 | 12.4° | 107.8° |
| H9 | C28 | C29 | H16 | 140.9° | 23.7° |
| H9 | C28 | C29 | H17 | 14.3° | 155.0° |
| H9 | C28 | C30 | H18 | 14.4° | 155.0° |
| H9 | C28 | C30 | H19 | 141.1° | 23.5° |
