HK8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C1 | doub | 1.21Å | 1.21Å | |
| C1 | O1 | sing | 1.34Å | 1.31Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| N2 | C14 | sing | 1.40Å | 1.41Å | |
| N2 | C13 | sing | 1.32Å | 1.35Å | |
| C14 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| O3 | C13 | doub | 1.22Å | 1.23Å | |
| C13 | C12 | sing | 1.47Å | 1.50Å | |
| C11 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | N1 | sing | 1.40Å | 1.41Å | |
| C10 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | N1 | sing | 1.39Å | 1.41Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | CL | sing | 1.74Å | 1.74Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | O1 | 123.8° | 120.0° |
| O2 | C1 | C2 | 122.6° | 120.0° |
| O1 | C1 | C2 | 113.6° | 120.0° |
| C1 | O1 | H1 | 109.5° | 117.0° |
| C1 | C2 | C3 | 112.4° | 109.4° |
| C1 | C2 | H2 | 108.7° | 109.5° |
| C1 | C2 | H3 | 108.7° | 109.5° |
| C2 | C3 | C15 | 120.4° | 119.9° |
| C2 | C3 | C4 | 121.0° | 119.8° |
| C3 | C2 | H2 | 108.7° | 109.5° |
| C3 | C2 | H3 | 108.7° | 109.5° |
| C15 | C3 | C4 | 118.5° | 120.3° |
| C3 | C15 | C14 | 121.3° | 119.9° |
| C3 | C15 | H11 | 119.3° | 120.2° |
| C3 | C4 | C5 | 121.2° | 120.0° |
| C3 | C4 | H4 | 119.4° | 120.0° |
| C15 | C14 | N2 | 117.7° | 119.1° |
| C15 | C14 | C6 | 119.4° | 119.7° |
| C14 | C15 | H11 | 119.3° | 119.9° |
| C4 | C5 | C6 | 120.1° | 120.2° |
| C4 | C5 | H5 | 119.9° | 119.9° |
| C5 | C4 | H4 | 119.4° | 120.0° |
| C14 | N2 | C13 | 133.8° | 127.0° |
| N2 | C14 | C6 | 123.0° | 121.3° |
| C14 | N2 | H10 | 113.1° | 116.5° |
| N2 | C13 | O3 | 120.2° | 117.0° |
| N2 | C13 | C12 | 120.4° | 125.9° |
| C13 | N2 | H10 | 113.1° | 116.5° |
| C14 | C6 | C5 | 119.4° | 119.8° |
| C14 | C6 | N1 | 121.3° | 121.2° |
| O3 | C13 | C12 | 119.5° | 117.1° |
| C13 | C12 | C11 | 116.1° | 119.9° |
| C13 | C12 | C7 | 125.3° | 120.8° |
| C12 | C11 | C10 | 121.2° | 120.1° |
| C11 | C12 | C7 | 118.4° | 119.3° |
| C12 | C11 | H9 | 119.4° | 120.0° |
| C11 | C10 | C9 | 119.7° | 120.4° |
| C10 | C11 | H9 | 119.4° | 120.0° |
| C11 | C10 | H8 | 120.1° | 119.8° |
| C5 | C6 | N1 | 119.1° | 119.0° |
| C6 | C5 | H5 | 119.9° | 119.9° |
| C12 | C7 | N1 | 122.8° | 120.0° |
| C12 | C7 | C8 | 120.0° | 119.9° |
| C6 | N1 | C7 | 120.0° | 119.0° |
| C6 | N1 | H6 | 120.0° | 120.4° |
| C10 | C9 | C8 | 121.2° | 120.2° |
| C10 | C9 | CL | 119.7° | 119.9° |
| C9 | C10 | H8 | 120.2° | 119.8° |
| N1 | C7 | C8 | 117.1° | 120.1° |
| C7 | N1 | H6 | 120.0° | 120.5° |
| C7 | C8 | C9 | 119.5° | 120.1° |
| C7 | C8 | H7 | 120.2° | 120.0° |
| C8 | C9 | CL | 119.1° | 119.9° |
| C9 | C8 | H7 | 120.2° | 120.0° |
| H2 | C2 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | O1 | C2 | 178.7° | 180.0° |
| O2 | C1 | C2 | C3 | 88.1° | 0.0° |
| O2 | C1 | C2 | H2 | 151.5° | 120.0° |
| O2 | C1 | C2 | H3 | 32.3° | 120.0° |
| O2 | C1 | O1 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | C3 | 90.6° | 180.0° |
| O1 | C1 | C2 | H2 | 29.9° | 60.0° |
| O1 | C1 | C2 | H3 | 149.0° | 60.0° |
| C1 | C2 | C3 | H2 | 120.4° | 120.0° |
| C1 | C2 | C3 | H3 | 120.4° | 120.0° |
| C1 | C2 | C3 | C15 | 91.7° | 90.1° |
| C1 | C2 | C3 | C4 | 88.2° | 90.0° |
| C1 | C2 | H2 | H3 | 118.7° | 120.0° |
| C2 | C1 | O1 | H1 | 178.7° | 180.0° |
| C2 | C3 | C15 | C4 | 179.8° | 179.9° |
| C2 | C3 | C15 | C14 | 179.0° | 179.8° |
| C2 | C3 | C4 | C5 | 179.5° | 179.1° |
| C2 | C3 | C4 | H4 | 0.5° | 0.9° |
| C2 | C3 | C15 | H11 | 1.0° | 0.2° |
| C3 | C2 | H2 | H3 | 118.7° | 120.0° |
| C3 | C15 | C14 | H11 | 180.0° | 180.0° |
| C15 | C3 | C4 | C5 | 0.7° | 0.8° |
| C3 | C15 | C14 | N2 | 178.7° | 178.0° |
| C3 | C15 | C14 | C6 | 0.3° | 1.6° |
| C15 | C3 | C4 | H4 | 179.3° | 179.1° |
| C15 | C3 | C2 | H2 | 147.9° | 150.0° |
| C15 | C3 | C2 | H3 | 28.8° | 29.9° |
| C4 | C3 | C15 | C14 | 1.2° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.7° | 0.2° |
| C3 | C4 | C5 | H5 | 179.3° | 179.9° |
| C4 | C3 | C15 | H11 | 178.8° | 179.9° |
| C4 | C3 | C2 | H2 | 32.3° | 30.0° |
| C4 | C3 | C2 | H3 | 151.4° | 150.0° |
| C15 | C14 | N2 | C6 | 179.0° | 179.6° |
| C15 | C14 | N2 | C13 | 149.1° | 140.3° |
| C15 | C14 | C6 | C5 | 1.1° | 2.5° |
| C15 | C14 | C6 | N1 | 173.5° | 175.8° |
| C15 | C14 | N2 | H10 | 30.9° | 39.7° |
| C4 | C5 | C6 | C14 | 1.6° | 1.8° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | N1 | 173.2° | 176.6° |
| C14 | N2 | C13 | H10 | 180.0° | 180.0° |
| C14 | N2 | C13 | O3 | 172.9° | 178.6° |
| C14 | N2 | C13 | C12 | 5.6° | 1.1° |
| N2 | C14 | C6 | C5 | 180.0° | 177.0° |
| N2 | C14 | C6 | N1 | 5.4° | 4.6° |
| N2 | C14 | C15 | H11 | 1.3° | 2.0° |
| C13 | N2 | C14 | C6 | 31.9° | 40.2° |
| N2 | C13 | O3 | C12 | 178.5° | 179.7° |
| N2 | C13 | C12 | C11 | 157.2° | 141.1° |
| N2 | C13 | C12 | C7 | 28.4° | 39.4° |
| C14 | C6 | C5 | N1 | 174.7° | 178.4° |
| C14 | C6 | N1 | C7 | 59.7° | 61.3° |
| C14 | C6 | N1 | H6 | 120.3° | 118.7° |
| C6 | C14 | N2 | H10 | 148.1° | 139.8° |
| C14 | C6 | C5 | H5 | 178.4° | 178.2° |
| C6 | C14 | C15 | H11 | 179.7° | 178.5° |
| O3 | C13 | C12 | C11 | 21.3° | 38.5° |
| O3 | C13 | C12 | C7 | 153.1° | 140.9° |
| O3 | C13 | N2 | H10 | 7.1° | 1.4° |
| C13 | C12 | C11 | C7 | 174.8° | 179.5° |
| C13 | C12 | C11 | C10 | 171.9° | 177.7° |
| C13 | C12 | C7 | N1 | 2.1° | 5.3° |
| C13 | C12 | C7 | C8 | 173.4° | 176.5° |
| C13 | C12 | C11 | H9 | 8.1° | 2.4° |
| C12 | C13 | N2 | H10 | 174.4° | 178.9° |
| C12 | C11 | C10 | H9 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 2.5° | 0.3° |
| C11 | C12 | C7 | N1 | 176.3° | 175.3° |
| C11 | C12 | C7 | C8 | 0.8° | 3.0° |
| C12 | C11 | C10 | H8 | 177.5° | 179.7° |
| C10 | C11 | C12 | C7 | 2.9° | 1.8° |
| C11 | C10 | C9 | H8 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.1° | 1.2° |
| C11 | C10 | C9 | CL | 178.1° | 178.9° |
| C5 | C6 | N1 | C7 | 125.7° | 117.1° |
| C5 | C6 | N1 | H6 | 54.3° | 62.9° |
| C6 | C5 | C4 | H4 | 179.3° | 179.9° |
| C12 | C7 | N1 | C6 | 55.5° | 59.5° |
| C12 | C7 | N1 | C8 | 175.6° | 178.3° |
| C12 | C7 | C8 | C9 | 1.6° | 2.2° |
| C7 | C12 | C11 | H9 | 177.1° | 178.2° |
| C12 | C7 | C8 | H7 | 178.4° | 177.9° |
| C12 | C7 | N1 | H6 | 124.5° | 120.5° |
| C6 | N1 | C7 | H6 | 180.0° | 180.0° |
| C6 | N1 | C7 | C8 | 128.9° | 118.8° |
| N1 | C6 | C5 | H5 | 6.8° | 3.4° |
| C10 | C9 | C8 | C7 | 2.1° | 0.1° |
| C10 | C9 | C8 | CL | 178.2° | 179.9° |
| C9 | C10 | C11 | H9 | 177.6° | 179.8° |
| C10 | C9 | C8 | H7 | 177.9° | 179.9° |
| N1 | C7 | C8 | C9 | 174.1° | 176.1° |
| N1 | C7 | C8 | H7 | 5.9° | 3.9° |
| C7 | C8 | C9 | H7 | 180.0° | 180.0° |
| C7 | C8 | C9 | CL | 176.1° | 179.8° |
| C8 | C7 | N1 | H6 | 51.1° | 61.2° |
| C8 | C9 | C10 | H8 | 179.9° | 178.8° |
| CL | C9 | C10 | H8 | 1.9° | 1.1° |
| CL | C9 | C8 | H7 | 3.9° | 0.2° |
| H9 | C11 | C10 | H8 | 2.4° | 0.2° |
| H5 | C5 | C4 | H4 | 0.7° | 0.1° |
