4K2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C17 | sing | 1.53Å | 1.51Å | |
| C19 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | N2 | sing | 1.47Å | 1.45Å | |
| C16 | C9 | sing | 1.53Å | 1.51Å | |
| C9 | N2 | sing | 1.47Å | 1.45Å | |
| N2 | C1 | sing | 1.35Å | 1.39Å | |
| O3 | C1 | sing | 1.35Å | 1.38Å | |
| O3 | C4 | sing | 1.36Å | 1.38Å | |
| C1 | O7 | doub | 1.21Å | 1.23Å | |
| N6 | C13 | doub | 1.31Å | 1.34Å | Aromatic |
| N6 | C5 | sing | 1.34Å | 1.35Å | Aromatic |
| C13 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.38Å | Aromatic |
| C4 | C11 | sing | 1.37Å | 1.39Å | Aromatic |
| C5 | C8 | sing | 1.42Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.37Å | Aromatic |
| C18 | C15 | doub | 1.37Å | 1.38Å | Aromatic |
| C8 | C15 | sing | 1.41Å | 1.38Å | Aromatic |
| C8 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C14 | sing | 1.36Å | 1.38Å | Aromatic |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C19 | C16 | 111.6° | 109.5° |
| C19 | C17 | C10 | 107.7° | 109.3° |
| C17 | C19 | H7 | 109.0° | 109.4° |
| C17 | C19 | H8 | 109.0° | 109.4° |
| C19 | C17 | H11 | 109.9° | 109.5° |
| C19 | C17 | H12 | 109.9° | 109.5° |
| C19 | C16 | C9 | 112.6° | 109.3° |
| C16 | C19 | H7 | 108.9° | 109.5° |
| C16 | C19 | H8 | 108.9° | 109.5° |
| C19 | C16 | H9 | 108.7° | 109.5° |
| C19 | C16 | H10 | 108.7° | 109.5° |
| C17 | C10 | N2 | 112.0° | 108.8° |
| C10 | C17 | H11 | 109.9° | 109.5° |
| C10 | C17 | H12 | 109.9° | 109.5° |
| C17 | C10 | H15 | 108.8° | 109.6° |
| C17 | C10 | H16 | 108.8° | 109.6° |
| C10 | N2 | C9 | 117.6° | 118.7° |
| C10 | N2 | C1 | 121.4° | 120.7° |
| N2 | C10 | H15 | 108.8° | 109.6° |
| N2 | C10 | H16 | 108.8° | 109.7° |
| C16 | C9 | N2 | 111.1° | 108.8° |
| C9 | C16 | H9 | 108.7° | 109.5° |
| C9 | C16 | H10 | 108.7° | 109.5° |
| C16 | C9 | H13 | 109.0° | 109.6° |
| C16 | C9 | H14 | 109.0° | 109.6° |
| C9 | N2 | C1 | 120.6° | 120.7° |
| N2 | C9 | H13 | 109.1° | 109.6° |
| N2 | C9 | H14 | 109.1° | 109.6° |
| N2 | C1 | O3 | 109.1° | 120.0° |
| N2 | C1 | O7 | 124.8° | 120.0° |
| C1 | O3 | C4 | 107.0° | 117.0° |
| O3 | C1 | O7 | 126.0° | 120.1° |
| O3 | C4 | C5 | 119.7° | 120.2° |
| O3 | C4 | C11 | 117.2° | 120.2° |
| C13 | N6 | C5 | 119.2° | 121.3° |
| N6 | C13 | C18 | 122.8° | 121.7° |
| N6 | C13 | H6 | 118.6° | 119.1° |
| N6 | C5 | C4 | 122.3° | 121.1° |
| N6 | C5 | C8 | 121.4° | 119.9° |
| C13 | C18 | C15 | 117.7° | 119.9° |
| C13 | C18 | H2 | 121.1° | 120.0° |
| C18 | C13 | H6 | 118.6° | 119.2° |
| C5 | C4 | C11 | 123.0° | 119.7° |
| C4 | C5 | C8 | 116.2° | 119.0° |
| C4 | C11 | C12 | 119.6° | 121.0° |
| C4 | C11 | H5 | 120.2° | 119.6° |
| C5 | C8 | C15 | 118.2° | 119.0° |
| C5 | C8 | C14 | 121.6° | 119.7° |
| C11 | C12 | C14 | 118.8° | 120.9° |
| C11 | C12 | H1 | 120.6° | 119.5° |
| C12 | C11 | H5 | 120.2° | 119.5° |
| C18 | C15 | C8 | 120.6° | 118.1° |
| C15 | C18 | H2 | 121.1° | 120.1° |
| C18 | C15 | H4 | 119.7° | 120.9° |
| C15 | C8 | C14 | 120.2° | 121.3° |
| C8 | C15 | H4 | 119.7° | 121.0° |
| C8 | C14 | C12 | 120.8° | 119.7° |
| C8 | C14 | H3 | 119.6° | 120.2° |
| C14 | C12 | H1 | 120.6° | 119.6° |
| C12 | C14 | H3 | 119.6° | 120.1° |
| H7 | C19 | H8 | 109.5° | 109.4° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.4° | 109.5° |
| H13 | C9 | H14 | 109.5° | 109.7° |
| H15 | C10 | H16 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C19 | C16 | H7 | 120.3° | 120.0° |
| C17 | C19 | C16 | H8 | 120.3° | 120.0° |
| C19 | C17 | C10 | H11 | 119.7° | 119.9° |
| C19 | C17 | C10 | H12 | 119.7° | 120.0° |
| C19 | C17 | C10 | N2 | 56.2° | 54.7° |
| C17 | C19 | C16 | C9 | 54.6° | 61.4° |
| C17 | C19 | H7 | H8 | 119.1° | 119.9° |
| C17 | C19 | C16 | H9 | 65.9° | 178.7° |
| C17 | C19 | C16 | H10 | 175.1° | 58.6° |
| C19 | C17 | H11 | H12 | 120.8° | 120.1° |
| C19 | C17 | C10 | H15 | 64.2° | 174.4° |
| C19 | C17 | C10 | H16 | 176.6° | 65.2° |
| C16 | C19 | C17 | C10 | 58.0° | 61.4° |
| C19 | C16 | C9 | H9 | 120.5° | 119.9° |
| C19 | C16 | C9 | H10 | 120.5° | 119.9° |
| C19 | C16 | C9 | N2 | 46.3° | 54.7° |
| C16 | C19 | H7 | H8 | 119.0° | 120.0° |
| C19 | C16 | H9 | H10 | 118.5° | 120.0° |
| C16 | C19 | C17 | H11 | 177.7° | 58.6° |
| C16 | C19 | C17 | H12 | 61.8° | 178.7° |
| C19 | C16 | C9 | H13 | 166.6° | 65.1° |
| C19 | C16 | C9 | H14 | 73.9° | 174.4° |
| C17 | C10 | N2 | H15 | 120.4° | 119.8° |
| C17 | C10 | N2 | H16 | 120.4° | 119.8° |
| C17 | C10 | N2 | C9 | 53.3° | 53.7° |
| C17 | C10 | N2 | C1 | 133.7° | 126.4° |
| C10 | C17 | C19 | H7 | 178.3° | 178.6° |
| C10 | C17 | C19 | H8 | 62.3° | 58.7° |
| C10 | C17 | H11 | H12 | 120.8° | 120.1° |
| C17 | C10 | H15 | H16 | 118.8° | 120.3° |
| C10 | N2 | C9 | C16 | 46.9° | 53.6° |
| C10 | N2 | C9 | C1 | 173.1° | 179.9° |
| C10 | N2 | C1 | O3 | 2.2° | 0.1° |
| C10 | N2 | C1 | O7 | 177.1° | 179.9° |
| N2 | C10 | C17 | H11 | 176.0° | 65.3° |
| N2 | C10 | C17 | H12 | 63.5° | 174.6° |
| C10 | N2 | C9 | H13 | 167.1° | 66.1° |
| C10 | N2 | C9 | H14 | 73.4° | 173.4° |
| N2 | C10 | H15 | H16 | 118.9° | 120.4° |
| C16 | C9 | N2 | H13 | 120.2° | 119.8° |
| C16 | C9 | N2 | H14 | 120.2° | 119.8° |
| C16 | C9 | N2 | C1 | 140.0° | 126.4° |
| C9 | C16 | C19 | H7 | 174.9° | 178.6° |
| C9 | C16 | C19 | H8 | 65.7° | 58.6° |
| C9 | C16 | H9 | H10 | 118.6° | 120.1° |
| C16 | C9 | H13 | H14 | 119.2° | 120.3° |
| C9 | N2 | C1 | O3 | 175.0° | 180.0° |
| C9 | N2 | C1 | O7 | 4.2° | 0.0° |
| N2 | C9 | C16 | H9 | 74.1° | 174.6° |
| N2 | C9 | C16 | H10 | 166.8° | 65.3° |
| N2 | C9 | H13 | H14 | 119.3° | 120.4° |
| C9 | N2 | C10 | H15 | 67.1° | 173.4° |
| C9 | N2 | C10 | H16 | 173.6° | 66.2° |
| N2 | C1 | O3 | O7 | 179.2° | 180.0° |
| N2 | C1 | O3 | C4 | 174.9° | 174.5° |
| C1 | N2 | C9 | H13 | 19.8° | 113.8° |
| C1 | N2 | C9 | H14 | 99.7° | 6.7° |
| C1 | N2 | C10 | H15 | 105.9° | 6.7° |
| C1 | N2 | C10 | H16 | 13.3° | 113.8° |
| C1 | O3 | C4 | C5 | 87.8° | 82.0° |
| C1 | O3 | C4 | C11 | 93.7° | 98.7° |
| C4 | O3 | C1 | O7 | 4.3° | 5.5° |
| O3 | C4 | C5 | N6 | 0.6° | 0.4° |
| O3 | C4 | C5 | C11 | 178.5° | 179.3° |
| O3 | C4 | C5 | C8 | 178.8° | 180.0° |
| O3 | C4 | C11 | C12 | 179.0° | 179.8° |
| O3 | C4 | C11 | H5 | 1.0° | 0.2° |
| N6 | C13 | C18 | H6 | 180.0° | 180.0° |
| C13 | N6 | C5 | C4 | 179.7° | 179.5° |
| C13 | N6 | C5 | C8 | 0.3° | 0.0° |
| N6 | C13 | C18 | C15 | 0.2° | 0.0° |
| N6 | C13 | C18 | H2 | 179.9° | 180.0° |
| C5 | N6 | C13 | C18 | 0.2° | 0.0° |
| N6 | C5 | C4 | C8 | 179.4° | 179.6° |
| N6 | C5 | C4 | C11 | 179.0° | 179.7° |
| N6 | C5 | C8 | C15 | 0.9° | 0.1° |
| N6 | C5 | C8 | C14 | 179.4° | 180.0° |
| C5 | N6 | C13 | H6 | 179.8° | 180.0° |
| C13 | C18 | C15 | H2 | 180.0° | 180.0° |
| C13 | C18 | C15 | C8 | 0.4° | 0.0° |
| C13 | C18 | C15 | H4 | 179.6° | 180.0° |
| C5 | C4 | C11 | C12 | 0.5° | 0.5° |
| C4 | C5 | C8 | C15 | 179.8° | 179.5° |
| C4 | C5 | C8 | C14 | 0.0° | 0.5° |
| C5 | C4 | C11 | H5 | 179.5° | 179.5° |
| C11 | C4 | C5 | C8 | 0.4° | 0.7° |
| C4 | C11 | C12 | H5 | 180.0° | 180.0° |
| C4 | C11 | C12 | C14 | 0.2° | 0.0° |
| C4 | C11 | C12 | H1 | 179.8° | 179.7° |
| C5 | C8 | C15 | C18 | 0.9° | 0.1° |
| C5 | C8 | C15 | C14 | 179.7° | 180.0° |
| C5 | C8 | C14 | C12 | 0.3° | 0.0° |
| C5 | C8 | C14 | H3 | 179.7° | 180.0° |
| C5 | C8 | C15 | H4 | 179.2° | 180.0° |
| C11 | C12 | C14 | C8 | 0.1° | 0.3° |
| C11 | C12 | C14 | H1 | 180.0° | 179.7° |
| C11 | C12 | C14 | H3 | 179.9° | 179.8° |
| C18 | C15 | C8 | H4 | 180.0° | 180.0° |
| C18 | C15 | C8 | C14 | 179.4° | 180.0° |
| C15 | C18 | C13 | H6 | 179.8° | 180.0° |
| C15 | C8 | C14 | C12 | 180.0° | 180.0° |
| C8 | C15 | C18 | H2 | 179.6° | 180.0° |
| C15 | C8 | C14 | H3 | 0.0° | 0.1° |
| C8 | C14 | C12 | H3 | 180.0° | 179.9° |
| C8 | C14 | C12 | H1 | 179.9° | 180.0° |
| C14 | C8 | C15 | H4 | 0.6° | 0.0° |
| C14 | C12 | C11 | H5 | 179.8° | 180.0° |
| H1 | C12 | C14 | H3 | 0.1° | 0.0° |
| H1 | C12 | C11 | H5 | 0.2° | 0.3° |
| H2 | C18 | C15 | H4 | 0.4° | 0.0° |
| H2 | C18 | C13 | H6 | 0.1° | 0.0° |
| H7 | C19 | C16 | H9 | 54.5° | 58.7° |
| H7 | C19 | C16 | H10 | 64.6° | 61.4° |
| H7 | C19 | C17 | H11 | 62.0° | 61.5° |
| H7 | C19 | C17 | H12 | 58.5° | 58.6° |
| H8 | C19 | C16 | H9 | 173.8° | 61.3° |
| H8 | C19 | C16 | H10 | 54.8° | 178.6° |
| H8 | C19 | C17 | H11 | 57.4° | 178.6° |
| H8 | C19 | C17 | H12 | 177.9° | 61.3° |
| H9 | C16 | C9 | H13 | 46.1° | 54.8° |
| H9 | C16 | C9 | H14 | 165.6° | 65.6° |
| H10 | C16 | C9 | H13 | 73.0° | 174.9° |
| H10 | C16 | C9 | H14 | 46.5° | 54.5° |
| H11 | C17 | C10 | H15 | 55.6° | 54.5° |
| H11 | C17 | C10 | H16 | 63.7° | 174.9° |
| H12 | C17 | C10 | H15 | 176.1° | 65.6° |
| H12 | C17 | C10 | H16 | 56.9° | 54.8° |
