C4K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | N25 | sing | 1.47Å | 1.47Å | |
| O7 | C6 | doub | 1.22Å | 1.22Å | |
| N25 | C6 | sing | 1.35Å | 1.38Å | |
| N25 | C23 | sing | 1.40Å | 1.41Å | |
| C6 | C1 | sing | 1.47Å | 1.49Å | |
| C16 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.42Å | Aromatic |
| C20 | C17 | sing | 1.51Å | 1.49Å | |
| O5 | C2 | sing | 1.36Å | 1.36Å | |
| C17 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C27 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | O31 | sing | 1.37Å | 1.37Å | |
| C28 | O29 | sing | 1.36Å | 1.36Å | |
| C8 | C9 | doub | 1.41Å | 1.42Å | Aromatic |
| C8 | C12 | sing | 1.46Å | 1.46Å | Aromatic |
| C3 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| O31 | C30 | sing | 1.45Å | 1.44Å | |
| C9 | N10 | sing | 1.37Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | N11 | doub | 1.30Å | 1.30Å | Aromatic |
| O29 | C30 | sing | 1.44Å | 1.44Å | |
| N10 | N11 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| O5 | H2 | sing | 0.97Å | 0.95Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.08Å | 1.08Å | |
| N10 | H17 | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | N25 | C6 | 120.7° | 120.0° |
| C26 | N25 | C23 | 116.9° | 120.0° |
| N25 | C26 | H19 | 109.5° | 109.5° |
| N25 | C26 | H20 | 109.5° | 109.4° |
| N25 | C26 | H21 | 109.5° | 109.4° |
| O7 | C6 | N25 | 120.0° | 120.0° |
| O7 | C6 | C1 | 117.2° | 120.0° |
| C6 | N25 | C23 | 122.2° | 120.0° |
| N25 | C6 | C1 | 122.6° | 120.0° |
| N25 | C23 | C22 | 119.1° | 120.0° |
| N25 | C23 | C24 | 121.1° | 120.0° |
| C6 | C1 | C4 | 122.0° | 119.9° |
| C6 | C1 | C2 | 118.8° | 120.0° |
| C18 | C16 | C17 | 118.2° | 120.0° |
| C16 | C18 | C15 | 121.7° | 120.0° |
| C18 | C16 | H6 | 120.9° | 120.0° |
| C16 | C18 | H18 | 119.1° | 120.0° |
| C16 | C17 | C20 | 116.9° | 120.0° |
| C16 | C17 | C19 | 121.6° | 120.0° |
| C17 | C16 | H6 | 120.9° | 120.0° |
| C18 | C15 | C14 | 120.1° | 120.0° |
| C18 | C15 | H5 | 120.0° | 120.0° |
| C15 | C18 | H18 | 119.2° | 120.0° |
| C23 | C22 | C21 | 120.7° | 120.1° |
| C22 | C23 | C24 | 119.8° | 120.0° |
| C23 | C22 | H12 | 119.7° | 119.9° |
| C22 | C21 | C27 | 119.3° | 120.1° |
| C22 | C21 | H11 | 120.3° | 120.0° |
| C21 | C22 | H12 | 119.6° | 120.0° |
| C23 | C24 | C28 | 119.5° | 120.0° |
| C23 | C24 | H13 | 120.3° | 120.0° |
| C4 | C1 | C2 | 119.1° | 120.1° |
| C1 | C4 | C8 | 120.0° | 119.6° |
| C1 | C4 | H16 | 120.0° | 120.2° |
| C1 | C2 | O5 | 119.8° | 119.8° |
| C1 | C2 | C3 | 121.2° | 120.3° |
| C20 | C17 | C19 | 121.5° | 120.0° |
| C17 | C20 | H8 | 109.5° | 109.5° |
| C17 | C20 | H9 | 109.5° | 109.4° |
| C17 | C20 | H10 | 109.5° | 109.5° |
| O5 | C2 | C3 | 118.9° | 119.9° |
| C2 | O5 | H2 | 109.5° | 114.0° |
| C17 | C19 | C14 | 119.3° | 120.0° |
| C17 | C19 | H7 | 120.4° | 120.0° |
| C21 | C27 | C28 | 120.3° | 119.9° |
| C21 | C27 | O31 | 131.1° | 131.5° |
| C27 | C21 | H11 | 120.3° | 119.9° |
| C15 | C14 | C19 | 119.1° | 120.0° |
| C15 | C14 | C13 | 117.6° | 120.0° |
| C14 | C15 | H5 | 119.9° | 120.0° |
| C4 | C8 | C9 | 119.9° | 120.1° |
| C4 | C8 | C12 | 134.2° | 133.7° |
| C8 | C4 | H16 | 120.0° | 120.2° |
| C2 | C3 | C9 | 119.4° | 120.1° |
| C2 | C3 | H1 | 120.3° | 120.0° |
| C24 | C28 | C27 | 120.4° | 119.9° |
| C24 | C28 | O29 | 131.2° | 131.4° |
| C28 | C24 | H13 | 120.3° | 120.0° |
| C19 | C14 | C13 | 122.9° | 120.0° |
| C14 | C19 | H7 | 120.4° | 120.0° |
| C14 | C13 | C12 | 118.9° | 109.5° |
| C14 | C13 | H3 | 107.1° | 109.5° |
| C14 | C13 | H4 | 107.1° | 109.5° |
| C28 | C27 | O31 | 108.5° | 108.6° |
| C27 | C28 | O29 | 108.4° | 108.6° |
| C27 | O31 | C30 | 105.4° | 105.3° |
| C28 | O29 | C30 | 105.7° | 105.5° |
| C9 | C8 | C12 | 105.9° | 106.2° |
| C8 | C9 | C3 | 120.3° | 119.8° |
| C8 | C9 | N10 | 106.7° | 106.7° |
| C8 | C12 | C13 | 128.0° | 126.2° |
| C8 | C12 | N11 | 107.4° | 107.8° |
| C3 | C9 | N10 | 133.0° | 133.5° |
| C9 | C3 | H1 | 120.3° | 119.9° |
| O31 | C30 | O29 | 103.8° | 103.4° |
| O31 | C30 | H14 | 110.9° | 111.5° |
| O31 | C30 | H15 | 110.9° | 110.2° |
| C9 | N10 | N11 | 109.1° | 109.2° |
| C9 | N10 | H17 | 125.5° | 125.4° |
| C13 | C12 | N11 | 124.0° | 126.1° |
| C12 | C13 | H3 | 107.0° | 109.5° |
| C12 | C13 | H4 | 107.1° | 109.4° |
| C12 | N11 | N10 | 110.7° | 110.1° |
| O29 | C30 | H14 | 110.9° | 110.5° |
| O29 | C30 | H15 | 110.9° | 110.5° |
| N11 | N10 | H17 | 125.4° | 125.4° |
| H3 | C13 | H4 | 109.5° | 109.4° |
| H8 | C20 | H9 | 109.5° | 109.4° |
| H8 | C20 | H10 | 109.5° | 109.5° |
| H9 | C20 | H10 | 109.4° | 109.5° |
| H14 | C30 | H15 | 109.5° | 110.5° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H19 | C26 | H21 | 109.4° | 109.5° |
| H20 | C26 | H21 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | N25 | C6 | O7 | 5.1° | 173.2° |
| C26 | N25 | C6 | C23 | 174.0° | 180.0° |
| C26 | N25 | C6 | C1 | 179.1° | 6.7° |
| C26 | N25 | C23 | C22 | 70.9° | 172.1° |
| C26 | N25 | C23 | C24 | 111.6° | 7.8° |
| N25 | C26 | H19 | H20 | 120.0° | 120.0° |
| N25 | C26 | H19 | H21 | 120.0° | 120.0° |
| N25 | C26 | H20 | H21 | 120.0° | 120.0° |
| O7 | C6 | N25 | C1 | 173.9° | 179.9° |
| O7 | C6 | N25 | C23 | 179.2° | 6.7° |
| O7 | C6 | C1 | C4 | 131.7° | 146.2° |
| O7 | C6 | C1 | C2 | 52.4° | 33.6° |
| C6 | N25 | C23 | C22 | 103.3° | 7.9° |
| C6 | N25 | C23 | C24 | 74.1° | 172.2° |
| N25 | C6 | C1 | C4 | 54.2° | 33.7° |
| N25 | C6 | C1 | C2 | 121.7° | 146.5° |
| C6 | N25 | C26 | H19 | 180.0° | 95.9° |
| C6 | N25 | C26 | H20 | 60.0° | 144.1° |
| C6 | N25 | C26 | H21 | 60.0° | 24.1° |
| C23 | N25 | C6 | C1 | 6.9° | 173.3° |
| N25 | C23 | C22 | C24 | 177.5° | 179.9° |
| N25 | C23 | C22 | C21 | 176.6° | 179.9° |
| N25 | C23 | C24 | C28 | 175.5° | 179.7° |
| N25 | C23 | C22 | H12 | 3.4° | 0.0° |
| N25 | C23 | C24 | H13 | 4.5° | 0.2° |
| C23 | N25 | C26 | H19 | 5.7° | 84.1° |
| C23 | N25 | C26 | H20 | 114.4° | 35.9° |
| C23 | N25 | C26 | H21 | 125.7° | 155.9° |
| C6 | C1 | C4 | C2 | 175.9° | 179.8° |
| C6 | C1 | C2 | O5 | 5.3° | 0.2° |
| C6 | C1 | C4 | C8 | 174.0° | 179.7° |
| C6 | C1 | C2 | C3 | 177.7° | 179.7° |
| C6 | C1 | C4 | H16 | 6.0° | 0.2° |
| C18 | C16 | C17 | H6 | 180.0° | 179.9° |
| C16 | C18 | C15 | H18 | 180.0° | 179.8° |
| C18 | C16 | C17 | C20 | 178.5° | 180.0° |
| C18 | C16 | C17 | C19 | 1.5° | 0.2° |
| C16 | C18 | C15 | C14 | 1.6° | 0.1° |
| C16 | C18 | C15 | H5 | 178.4° | 179.9° |
| C17 | C16 | C18 | C15 | 0.6° | 0.2° |
| C16 | C17 | C20 | C19 | 177.0° | 179.8° |
| C16 | C17 | C19 | C14 | 0.2° | 0.0° |
| C16 | C17 | C19 | H7 | 179.8° | 180.0° |
| C16 | C17 | C20 | H8 | 91.3° | 90.0° |
| C16 | C17 | C20 | H9 | 148.6° | 150.1° |
| C16 | C17 | C20 | H10 | 28.7° | 30.0° |
| C17 | C16 | C18 | H18 | 179.4° | 180.0° |
| C18 | C15 | C14 | H5 | 180.0° | 180.0° |
| C18 | C15 | C14 | C19 | 2.9° | 0.3° |
| C18 | C15 | C14 | C13 | 175.1° | 180.0° |
| C15 | C18 | C16 | H6 | 179.4° | 180.0° |
| C23 | C22 | C21 | H12 | 180.0° | 179.9° |
| C23 | C22 | C21 | C27 | 0.0° | 0.1° |
| C22 | C23 | C24 | C28 | 2.0° | 0.2° |
| C23 | C22 | C21 | H11 | 180.0° | 179.7° |
| C22 | C23 | C24 | H13 | 178.0° | 179.8° |
| C21 | C22 | C23 | C24 | 0.9° | 0.0° |
| C22 | C21 | C27 | H11 | 180.0° | 179.6° |
| C22 | C21 | C27 | C28 | 0.1° | 0.3° |
| C22 | C21 | C27 | O31 | 179.3° | 179.6° |
| C23 | C24 | C28 | H13 | 180.0° | 179.5° |
| C23 | C24 | C28 | C27 | 2.1° | 0.5° |
| C23 | C24 | C28 | O29 | 179.7° | 180.0° |
| C24 | C23 | C22 | H12 | 179.1° | 179.9° |
| C4 | C1 | C2 | O5 | 178.7° | 180.0° |
| C1 | C4 | C8 | H16 | 180.0° | 179.9° |
| C4 | C1 | C2 | C3 | 1.7° | 0.0° |
| C1 | C4 | C8 | C9 | 3.6° | 0.1° |
| C1 | C4 | C8 | C12 | 179.6° | 180.0° |
| C1 | C2 | O5 | C3 | 177.0° | 180.0° |
| C2 | C1 | C4 | C8 | 1.9° | 0.1° |
| C1 | C2 | C3 | C9 | 3.6° | 0.0° |
| C1 | C2 | C3 | H1 | 176.4° | 180.0° |
| C1 | C2 | O5 | H2 | 13.9° | 90.0° |
| C2 | C1 | C4 | H16 | 178.1° | 180.0° |
| C20 | C17 | C19 | C14 | 177.1° | 179.8° |
| C20 | C17 | C16 | H6 | 1.5° | 0.1° |
| C20 | C17 | C19 | H7 | 2.9° | 0.2° |
| C17 | C20 | H8 | H9 | 120.0° | 119.9° |
| C17 | C20 | H8 | H10 | 120.0° | 120.0° |
| C17 | C20 | H9 | H10 | 120.0° | 120.0° |
| O5 | C2 | C3 | C9 | 179.4° | 180.0° |
| O5 | C2 | C3 | H1 | 0.6° | 0.0° |
| C17 | C19 | C14 | C15 | 2.0° | 0.2° |
| C17 | C19 | C14 | H7 | 180.0° | 180.0° |
| C17 | C19 | C14 | C13 | 173.8° | 180.0° |
| C19 | C17 | C16 | H6 | 178.5° | 179.9° |
| C19 | C17 | C20 | H8 | 91.6° | 90.2° |
| C19 | C17 | C20 | H9 | 28.4° | 29.7° |
| C19 | C17 | C20 | H10 | 148.4° | 149.7° |
| C21 | C27 | C28 | C24 | 1.2° | 0.5° |
| C21 | C27 | C28 | O31 | 179.6° | 179.9° |
| C21 | C27 | C28 | O29 | 179.8° | 179.9° |
| C21 | C27 | O31 | C30 | 162.1° | 162.1° |
| C27 | C21 | C22 | H12 | 180.0° | 180.0° |
| C15 | C14 | C19 | C13 | 171.8° | 179.8° |
| C15 | C14 | C13 | C12 | 108.3° | 90.0° |
| C15 | C14 | C13 | H3 | 130.4° | 30.1° |
| C15 | C14 | C13 | H4 | 13.1° | 150.0° |
| C15 | C14 | C19 | H7 | 178.0° | 179.8° |
| C14 | C15 | C18 | H18 | 178.4° | 179.8° |
| C4 | C8 | C9 | C12 | 177.7° | 180.0° |
| C4 | C8 | C9 | C3 | 1.6° | 0.1° |
| C4 | C8 | C9 | N10 | 179.0° | 180.0° |
| C4 | C8 | C12 | C13 | 7.2° | 0.0° |
| C4 | C8 | C12 | N11 | 179.1° | 180.0° |
| C2 | C3 | C9 | C8 | 2.0° | 0.0° |
| C2 | C3 | C9 | H1 | 180.0° | 180.0° |
| C2 | C3 | C9 | N10 | 177.2° | 180.0° |
| C3 | C2 | O5 | H2 | 163.1° | 90.0° |
| C24 | C28 | C27 | O29 | 178.6° | 179.6° |
| C24 | C28 | C27 | O31 | 178.4° | 179.4° |
| C24 | C28 | O29 | C30 | 160.7° | 162.6° |
| C19 | C14 | C13 | C12 | 79.9° | 90.2° |
| C19 | C14 | C13 | H3 | 41.5° | 149.7° |
| C19 | C14 | C13 | H4 | 158.8° | 29.7° |
| C19 | C14 | C15 | H5 | 177.1° | 179.7° |
| C14 | C13 | C12 | C8 | 63.9° | 90.0° |
| C14 | C13 | C12 | H3 | 121.3° | 120.1° |
| C14 | C13 | C12 | H4 | 121.3° | 120.0° |
| C14 | C13 | C12 | N11 | 125.4° | 90.0° |
| C14 | C13 | H3 | H4 | 115.7° | 120.0° |
| C13 | C14 | C15 | H5 | 4.9° | 0.0° |
| C13 | C14 | C19 | H7 | 6.2° | 0.0° |
| C28 | C27 | O31 | C30 | 17.4° | 18.0° |
| C27 | C28 | O29 | C30 | 17.7° | 17.8° |
| C28 | C27 | C21 | H11 | 179.9° | 179.9° |
| C27 | C28 | C24 | H13 | 177.9° | 180.0° |
| O31 | C27 | C28 | O29 | 0.2° | 0.2° |
| C27 | O31 | C30 | O29 | 27.5° | 28.1° |
| O31 | C27 | C21 | H11 | 0.7° | 0.0° |
| C27 | O31 | C30 | H14 | 146.6° | 90.7° |
| C27 | O31 | C30 | H15 | 91.6° | 146.2° |
| C28 | O29 | C30 | O31 | 27.7° | 28.0° |
| O29 | C28 | C24 | H13 | 0.3° | 0.5° |
| C28 | O29 | C30 | H14 | 146.8° | 91.4° |
| C28 | O29 | C30 | H15 | 91.4° | 145.9° |
| C8 | C9 | C3 | N10 | 179.1° | 179.9° |
| C9 | C8 | C12 | C13 | 175.7° | 180.0° |
| C9 | C8 | C12 | N11 | 3.7° | 0.0° |
| C8 | C9 | N10 | N11 | 1.3° | 0.0° |
| C8 | C9 | C3 | H1 | 178.1° | 180.0° |
| C9 | C8 | C4 | H16 | 176.4° | 180.0° |
| C8 | C9 | N10 | H17 | 178.7° | 180.0° |
| C12 | C8 | C9 | C3 | 179.3° | 180.0° |
| C12 | C8 | C9 | N10 | 1.4° | 0.0° |
| C8 | C12 | C13 | N11 | 170.7° | 180.0° |
| C8 | C12 | N11 | N10 | 4.7° | 0.0° |
| C8 | C12 | C13 | H3 | 174.8° | 150.0° |
| C8 | C12 | C13 | H4 | 57.5° | 30.1° |
| C12 | C8 | C4 | H16 | 0.4° | 0.1° |
| C3 | C9 | N10 | N11 | 177.9° | 180.0° |
| C3 | C9 | N10 | H17 | 2.1° | 0.1° |
| O31 | C30 | O29 | H14 | 119.1° | 119.4° |
| O31 | C30 | O29 | H15 | 119.1° | 117.9° |
| O31 | C30 | H14 | H15 | 122.7° | 122.9° |
| C9 | N10 | N11 | C12 | 3.9° | 0.0° |
| C9 | N10 | N11 | H17 | 180.0° | 179.9° |
| N10 | C9 | C3 | H1 | 2.8° | 0.1° |
| C13 | C12 | N11 | N10 | 177.0° | 180.0° |
| C12 | C13 | H3 | H4 | 115.7° | 119.9° |
| N11 | C12 | C13 | H3 | 4.1° | 30.1° |
| N11 | C12 | C13 | H4 | 113.2° | 150.0° |
| C12 | N11 | N10 | H17 | 176.1° | 180.0° |
| O29 | C30 | H14 | H15 | 122.6° | 122.7° |
| H5 | C15 | C18 | H18 | 1.6° | 0.2° |
| H6 | C16 | C18 | H18 | 0.6° | 0.1° |
| H8 | C20 | H9 | H10 | 120.0° | 120.0° |
| H11 | C21 | C22 | H12 | 0.0° | 0.4° |
| H19 | C26 | H20 | H21 | 120.0° | 120.0° |
