HK6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C1 | sing | 1.74Å | 1.74Å | |
| C13 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| O | C11 | doub | 1.22Å | 1.23Å | |
| N2 | C12 | sing | 1.39Å | 1.41Å | |
| N2 | C11 | sing | 1.32Å | 1.35Å | |
| C12 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.47Å | 1.50Å | |
| C9 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | N1 | sing | 1.40Å | 1.41Å | |
| C8 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | N1 | sing | 1.39Å | 1.41Å | |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C1 | C13 | 118.8° | 119.9° |
| CL | C1 | C2 | 119.5° | 119.9° |
| C1 | C13 | C12 | 119.3° | 120.2° |
| C13 | C1 | C2 | 121.7° | 120.2° |
| C1 | C13 | H9 | 120.4° | 119.9° |
| C13 | C12 | N2 | 116.4° | 119.0° |
| C13 | C12 | C4 | 119.9° | 119.5° |
| C12 | C13 | H9 | 120.3° | 119.9° |
| C1 | C2 | C3 | 119.3° | 120.0° |
| C1 | C2 | H1 | 120.4° | 120.1° |
| O | C11 | N2 | 120.2° | 117.1° |
| O | C11 | C10 | 119.5° | 117.1° |
| C12 | N2 | C11 | 133.6° | 127.1° |
| N2 | C12 | C4 | 123.7° | 121.5° |
| C12 | N2 | H8 | 113.2° | 116.4° |
| N2 | C11 | C10 | 120.4° | 125.8° |
| C11 | N2 | H8 | 113.2° | 116.5° |
| C12 | C4 | C3 | 119.5° | 120.0° |
| C12 | C4 | N1 | 120.9° | 120.9° |
| C2 | C3 | C4 | 120.3° | 119.9° |
| C2 | C3 | H2 | 119.9° | 120.1° |
| C3 | C2 | H1 | 120.3° | 119.9° |
| C11 | C10 | C9 | 115.9° | 119.9° |
| C11 | C10 | C5 | 125.0° | 120.8° |
| C10 | C9 | C8 | 120.7° | 120.1° |
| C9 | C10 | C5 | 118.6° | 119.3° |
| C10 | C9 | H7 | 119.7° | 120.0° |
| C9 | C8 | C7 | 120.5° | 120.3° |
| C8 | C9 | H7 | 119.7° | 119.9° |
| C9 | C8 | H6 | 119.7° | 119.8° |
| C10 | C5 | N1 | 123.7° | 120.1° |
| C10 | C5 | C6 | 119.6° | 119.9° |
| C3 | C4 | N1 | 119.4° | 119.1° |
| C4 | C3 | H2 | 119.9° | 119.9° |
| C4 | N1 | C5 | 120.3° | 119.2° |
| C4 | N1 | H3 | 119.9° | 120.4° |
| C8 | C7 | C6 | 120.3° | 120.3° |
| C7 | C8 | H6 | 119.8° | 119.8° |
| C8 | C7 | H5 | 119.9° | 119.8° |
| N1 | C5 | C6 | 116.6° | 120.0° |
| C5 | N1 | H3 | 119.8° | 120.4° |
| C5 | C6 | C7 | 120.3° | 120.0° |
| C5 | C6 | H4 | 119.9° | 119.9° |
| C6 | C7 | H5 | 119.9° | 119.8° |
| C7 | C6 | H4 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C1 | C13 | C2 | 176.5° | 180.0° |
| CL | C1 | C13 | C12 | 174.6° | 179.8° |
| CL | C1 | C2 | C3 | 174.2° | 179.2° |
| CL | C1 | C13 | H9 | 5.4° | 0.1° |
| CL | C1 | C2 | H1 | 5.8° | 0.9° |
| C1 | C13 | C12 | H9 | 180.0° | 180.0° |
| C1 | C13 | C12 | N2 | 179.6° | 178.2° |
| C1 | C13 | C12 | C4 | 0.5° | 1.4° |
| C13 | C1 | C2 | C3 | 2.2° | 0.8° |
| C13 | C1 | C2 | H1 | 177.8° | 179.2° |
| C12 | C13 | C1 | C2 | 1.8° | 0.1° |
| C13 | C12 | N2 | C4 | 179.9° | 179.6° |
| C13 | C12 | N2 | C11 | 149.1° | 140.0° |
| C13 | C12 | C4 | C3 | 2.3° | 2.3° |
| C13 | C12 | C4 | N1 | 172.0° | 175.0° |
| C13 | C12 | N2 | H8 | 30.9° | 40.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.3° | 0.1° |
| C2 | C1 | C13 | H9 | 178.2° | 179.9° |
| C1 | C2 | C3 | H2 | 179.7° | 179.9° |
| O | C11 | N2 | C12 | 172.8° | 178.9° |
| O | C11 | N2 | C10 | 179.3° | 179.7° |
| O | C11 | C10 | C9 | 20.0° | 38.7° |
| O | C11 | C10 | C5 | 151.6° | 140.9° |
| O | C11 | N2 | H8 | 7.2° | 1.1° |
| C12 | N2 | C11 | H8 | 180.0° | 180.0° |
| C12 | N2 | C11 | C10 | 6.5° | 0.8° |
| N2 | C12 | C4 | C3 | 177.8° | 177.3° |
| N2 | C12 | C4 | N1 | 7.9° | 5.5° |
| N2 | C12 | C13 | H9 | 0.4° | 1.8° |
| C11 | N2 | C12 | C4 | 31.0° | 40.5° |
| N2 | C11 | C10 | C9 | 159.3° | 141.1° |
| N2 | C11 | C10 | C5 | 29.1° | 39.4° |
| C12 | C4 | C3 | C2 | 1.9° | 1.7° |
| C12 | C4 | C3 | N1 | 174.4° | 177.3° |
| C12 | C4 | N1 | C5 | 59.8° | 60.6° |
| C12 | C4 | N1 | H3 | 120.2° | 119.3° |
| C4 | C12 | N2 | H8 | 149.0° | 139.5° |
| C4 | C12 | C13 | H9 | 179.5° | 178.6° |
| C12 | C4 | C3 | H2 | 178.1° | 178.4° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | N1 | 172.5° | 175.6° |
| C11 | C10 | C9 | C5 | 172.2° | 179.6° |
| C11 | C10 | C9 | C8 | 168.8° | 177.9° |
| C11 | C10 | C5 | N1 | 5.7° | 4.8° |
| C11 | C10 | C5 | C6 | 170.1° | 176.8° |
| C11 | C10 | C9 | H7 | 11.2° | 2.1° |
| C10 | C11 | N2 | H8 | 173.5° | 179.2° |
| C10 | C9 | C8 | H7 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 2.9° | 0.1° |
| C9 | C10 | C5 | N1 | 177.1° | 175.6° |
| C9 | C10 | C5 | C6 | 1.3° | 2.8° |
| C10 | C9 | C8 | H6 | 177.1° | 179.8° |
| C8 | C9 | C10 | C5 | 3.4° | 1.7° |
| C9 | C8 | C7 | H6 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.4° | 1.0° |
| C9 | C8 | C7 | H5 | 179.6° | 178.9° |
| C10 | C5 | N1 | C4 | 52.0° | 59.8° |
| C10 | C5 | N1 | C6 | 175.9° | 178.3° |
| C10 | C5 | C6 | C7 | 1.2° | 2.0° |
| C5 | C10 | C9 | H7 | 176.7° | 178.3° |
| C10 | C5 | C6 | H4 | 178.8° | 178.0° |
| C10 | C5 | N1 | H3 | 128.0° | 120.1° |
| C3 | C4 | N1 | C5 | 125.8° | 116.6° |
| C3 | C4 | N1 | H3 | 54.2° | 63.4° |
| C4 | C3 | C2 | H1 | 179.7° | 179.9° |
| C4 | N1 | C5 | H3 | 180.0° | 179.9° |
| C4 | N1 | C5 | C6 | 132.1° | 118.5° |
| N1 | C4 | C3 | H2 | 7.5° | 4.3° |
| C8 | C7 | C6 | C5 | 1.7° | 0.1° |
| C8 | C7 | C6 | H5 | 180.0° | 179.9° |
| C7 | C8 | C9 | H7 | 177.1° | 179.8° |
| C8 | C7 | C6 | H4 | 178.3° | 179.8° |
| N1 | C5 | C6 | C7 | 174.9° | 176.4° |
| N1 | C5 | C6 | H4 | 5.1° | 3.7° |
| C5 | C6 | C7 | H4 | 180.0° | 179.9° |
| C5 | C6 | C7 | H5 | 178.3° | 180.0° |
| C6 | C5 | N1 | H3 | 47.9° | 61.5° |
| C6 | C7 | C8 | H6 | 179.6° | 178.9° |
| H7 | C9 | C8 | H6 | 2.9° | 0.3° |
| H6 | C8 | C7 | H5 | 0.4° | 1.2° |
| H5 | C7 | C6 | H4 | 1.7° | 0.1° |
| H2 | C3 | C2 | H1 | 0.3° | 0.0° |
