H6K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| O | C1 | doub | 1.22Å | 1.23Å | |
| C10 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.48Å | 1.48Å | |
| C8 | C9 | doub | 1.37Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | N6 | sing | 1.36Å | 1.35Å | Aromatic |
| C1 | N1 | sing | 1.35Å | 1.37Å | |
| C1 | N5 | sing | 1.35Å | 1.41Å | |
| N1 | C2 | sing | 1.39Å | 1.40Å | |
| C7 | N5 | sing | 1.40Å | 1.40Å | |
| C7 | N7 | doub | 1.31Å | 1.33Å | Aromatic |
| N6 | N7 | sing | 1.40Å | 1.37Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C3 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| N3 | C5 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.43Å | Aromatic |
| C4 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | N4 | trip | 1.14Å | 1.14Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N5 | H5 | sing | 0.97Å | 1.00Å | |
| N6 | H1 | sing | 0.97Å | 1.00Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 120.3° | 120.1° |
| C12 | C13 | C14 | 119.8° | 120.3° |
| C12 | C13 | H9 | 120.1° | 119.9° |
| C13 | C12 | H8 | 119.8° | 119.9° |
| C12 | C11 | C10 | 120.4° | 119.9° |
| C11 | C12 | H8 | 119.9° | 119.9° |
| C12 | C11 | H7 | 119.8° | 120.0° |
| C13 | C14 | C15 | 120.3° | 120.2° |
| C13 | C14 | H10 | 119.8° | 119.9° |
| C14 | C13 | H9 | 120.1° | 119.8° |
| C11 | C10 | C15 | 118.7° | 119.7° |
| C11 | C10 | C9 | 120.3° | 120.2° |
| C10 | C11 | H7 | 119.8° | 120.1° |
| C14 | C15 | C10 | 120.4° | 119.8° |
| C14 | C15 | H11 | 119.8° | 120.1° |
| C15 | C14 | H10 | 119.9° | 119.9° |
| O | C1 | N1 | 122.6° | 120.0° |
| O | C1 | N5 | 121.4° | 120.0° |
| C15 | C10 | C9 | 121.1° | 120.1° |
| C10 | C15 | H11 | 119.8° | 120.1° |
| C10 | C9 | C8 | 130.8° | 126.3° |
| C10 | C9 | N6 | 123.0° | 126.3° |
| C9 | C8 | C7 | 105.2° | 107.8° |
| C8 | C9 | N6 | 106.1° | 107.4° |
| C9 | C8 | H6 | 127.4° | 126.1° |
| C8 | C7 | N5 | 131.2° | 125.8° |
| C8 | C7 | N7 | 112.3° | 108.5° |
| C7 | C8 | H6 | 127.4° | 126.1° |
| C9 | N6 | N7 | 112.9° | 107.9° |
| C9 | N6 | H1 | 123.5° | 126.1° |
| N1 | C1 | N5 | 116.0° | 120.0° |
| C1 | N1 | C2 | 131.3° | 120.0° |
| C1 | N1 | H2 | 114.4° | 120.0° |
| C1 | N5 | C7 | 124.5° | 120.0° |
| C1 | N5 | H5 | 117.7° | 120.0° |
| N1 | C2 | C3 | 120.5° | 120.0° |
| N1 | C2 | N3 | 118.2° | 119.9° |
| C2 | N1 | H2 | 114.4° | 120.0° |
| N5 | C7 | N7 | 116.4° | 125.8° |
| C7 | N5 | H5 | 117.8° | 120.0° |
| C7 | N7 | N6 | 103.4° | 108.5° |
| N7 | N6 | H1 | 123.6° | 126.0° |
| C3 | C2 | N3 | 121.3° | 120.1° |
| C2 | C3 | N2 | 121.7° | 120.0° |
| C2 | C3 | H3 | 119.2° | 120.0° |
| C2 | N3 | C5 | 117.8° | 120.0° |
| C3 | N2 | C4 | 117.2° | 120.0° |
| N2 | C3 | H3 | 119.1° | 120.0° |
| N3 | C5 | C4 | 120.5° | 120.0° |
| N3 | C5 | H4 | 119.8° | 120.0° |
| N2 | C4 | C5 | 121.3° | 120.0° |
| N2 | C4 | C6 | 118.2° | 120.0° |
| C5 | C4 | C6 | 120.4° | 120.0° |
| C4 | C5 | H4 | 119.8° | 120.0° |
| C4 | C6 | N4 | 178.7° | 180.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H8 | 180.0° | 179.8° |
| C12 | C13 | C14 | H9 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.7° | 0.5° |
| C12 | C13 | C14 | C15 | 0.4° | 0.1° |
| C12 | C13 | C14 | H10 | 179.6° | 180.0° |
| C13 | C12 | C11 | H7 | 179.3° | 180.0° |
| C11 | C12 | C13 | C14 | 1.5° | 0.2° |
| C12 | C11 | C10 | H7 | 180.0° | 179.5° |
| C12 | C11 | C10 | C15 | 1.2° | 0.4° |
| C12 | C11 | C10 | C9 | 178.3° | 179.8° |
| C11 | C12 | C13 | H9 | 178.5° | 179.7° |
| C13 | C14 | C15 | H10 | 180.0° | 179.9° |
| C13 | C14 | C15 | C10 | 1.4° | 0.1° |
| C13 | C14 | C15 | H11 | 178.6° | 180.0° |
| C14 | C13 | C12 | H8 | 178.5° | 180.0° |
| C11 | C10 | C15 | C14 | 2.2° | 0.2° |
| C11 | C10 | C15 | C9 | 179.4° | 179.8° |
| C11 | C10 | C9 | C8 | 14.1° | 0.1° |
| C11 | C10 | C9 | N6 | 168.3° | 179.8° |
| C11 | C10 | C15 | H11 | 177.8° | 179.8° |
| C10 | C11 | C12 | H8 | 179.3° | 179.7° |
| C14 | C15 | C10 | H11 | 180.0° | 180.0° |
| C14 | C15 | C10 | C9 | 177.2° | 180.0° |
| C15 | C14 | C13 | H9 | 179.5° | 180.0° |
| O | C1 | N1 | N5 | 178.7° | 180.0° |
| O | C1 | N1 | C2 | 177.9° | 5.1° |
| O | C1 | N5 | C7 | 2.0° | 0.0° |
| O | C1 | N1 | H2 | 2.1° | 174.9° |
| O | C1 | N5 | H5 | 178.0° | 180.0° |
| C15 | C10 | C9 | C8 | 166.5° | 179.7° |
| C15 | C10 | C9 | N6 | 11.1° | 0.0° |
| C10 | C15 | C14 | H10 | 178.6° | 180.0° |
| C15 | C10 | C11 | H7 | 178.8° | 180.0° |
| C10 | C9 | C8 | N6 | 177.9° | 179.7° |
| C10 | C9 | C8 | C7 | 177.2° | 179.8° |
| C10 | C9 | N6 | N7 | 177.1° | 180.0° |
| C10 | C9 | N6 | H1 | 3.0° | 0.0° |
| C10 | C9 | C8 | H6 | 2.8° | 0.2° |
| C9 | C10 | C15 | H11 | 2.8° | 0.0° |
| C9 | C10 | C11 | H7 | 1.7° | 0.2° |
| C9 | C8 | C7 | H6 | 180.0° | 179.6° |
| C9 | C8 | C7 | N5 | 176.4° | 179.8° |
| C9 | C8 | C7 | N7 | 0.1° | 0.4° |
| C8 | C9 | N6 | N7 | 1.0° | 0.3° |
| C8 | C9 | N6 | H1 | 179.0° | 179.8° |
| C7 | C8 | C9 | N6 | 0.7° | 0.4° |
| C8 | C7 | N5 | C1 | 0.2° | 0.3° |
| C8 | C7 | N5 | N7 | 176.1° | 179.7° |
| C8 | C7 | N7 | N6 | 0.5° | 0.2° |
| C8 | C7 | N5 | H5 | 179.8° | 179.7° |
| C9 | N6 | N7 | C7 | 0.9° | 0.0° |
| C9 | N6 | N7 | H1 | 180.0° | 179.9° |
| N6 | C9 | C8 | H6 | 179.4° | 180.0° |
| C1 | N1 | C2 | H2 | 180.0° | 179.9° |
| N1 | C1 | N5 | C7 | 176.7° | 180.0° |
| C1 | N1 | C2 | C3 | 173.8° | 174.9° |
| C1 | N1 | C2 | N3 | 6.4° | 4.8° |
| N1 | C1 | N5 | H5 | 3.2° | 0.0° |
| N5 | C1 | N1 | C2 | 3.4° | 175.0° |
| C1 | N5 | C7 | H5 | 180.0° | 180.0° |
| C1 | N5 | C7 | N7 | 176.4° | 180.0° |
| N5 | C1 | N1 | H2 | 176.6° | 5.1° |
| N1 | C2 | C3 | N3 | 179.8° | 179.7° |
| N1 | C2 | C3 | N2 | 177.5° | 180.0° |
| N1 | C2 | N3 | C5 | 179.9° | 180.0° |
| N1 | C2 | C3 | H3 | 2.5° | 0.0° |
| N5 | C7 | N7 | N6 | 176.4° | 180.0° |
| N5 | C7 | C8 | H6 | 3.6° | 0.2° |
| N7 | C7 | N5 | H5 | 3.6° | 0.0° |
| C7 | N7 | N6 | H1 | 179.1° | 180.0° |
| N7 | C7 | C8 | H6 | 179.9° | 180.0° |
| C2 | C3 | N2 | H3 | 180.0° | 180.0° |
| C3 | C2 | N3 | C5 | 0.1° | 0.3° |
| C2 | C3 | N2 | C4 | 3.6° | 0.0° |
| C3 | C2 | N1 | H2 | 6.2° | 5.1° |
| N3 | C2 | C3 | N2 | 2.7° | 0.3° |
| C2 | N3 | C5 | C4 | 1.3° | 0.1° |
| N3 | C2 | C3 | H3 | 177.3° | 179.7° |
| C2 | N3 | C5 | H4 | 178.6° | 180.0° |
| N3 | C2 | N1 | H2 | 173.6° | 175.2° |
| C3 | N2 | C4 | C5 | 2.1° | 0.2° |
| C3 | N2 | C4 | C6 | 176.0° | 180.0° |
| N3 | C5 | C4 | N2 | 0.3° | 0.2° |
| N3 | C5 | C4 | H4 | 180.0° | 180.0° |
| N3 | C5 | C4 | C6 | 178.4° | 180.0° |
| N2 | C4 | C5 | C6 | 178.0° | 179.8° |
| N2 | C4 | C6 | N4 | 152.1° | 71.8° |
| C4 | N2 | C3 | H3 | 176.4° | 180.0° |
| N2 | C4 | C5 | H4 | 179.6° | 179.8° |
| C5 | C4 | C6 | N4 | 26.0° | 108.0° |
| C6 | C4 | C5 | H4 | 1.6° | 0.0° |
| H11 | C15 | C14 | H10 | 1.4° | 0.1° |
| H10 | C14 | C13 | H9 | 0.5° | 0.1° |
| H9 | C13 | C12 | H8 | 1.5° | 0.1° |
| H8 | C12 | C11 | H7 | 0.7° | 0.2° |
