HK7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C2 | sing | 1.39Å | 1.43Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| N1 | C2 | sing | 1.39Å | 1.41Å | |
| N1 | C1 | sing | 1.32Å | 1.40Å | |
| C2 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| O1 | C1 | doub | 1.22Å | 1.27Å | |
| C1 | C5 | sing | 1.47Å | 1.49Å | |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.37Å | 1.38Å | Aromatic |
| C17 | C3 | sing | 1.39Å | 1.43Å | Aromatic |
| C3 | N2 | sing | 1.40Å | 1.42Å | |
| C5 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | N2 | sing | 1.39Å | 1.41Å | |
| C4 | C9 | doub | 1.39Å | 1.43Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C10 | sing | 1.48Å | 1.48Å | |
| C11 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C15 | sing | 1.41Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.48Å | 1.50Å | |
| C15 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | N3 | sing | 1.35Å | 1.37Å | |
| C16 | O2 | doub | 1.22Å | 1.24Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C18 | 120.1° | 120.2° |
| C19 | C20 | C2 | 121.1° | 120.3° |
| C20 | C19 | H14 | 119.9° | 119.9° |
| C19 | C20 | H15 | 119.5° | 119.8° |
| C19 | C18 | C17 | 119.9° | 120.0° |
| C19 | C18 | H13 | 120.0° | 120.0° |
| C18 | C19 | H14 | 120.0° | 120.0° |
| C20 | C2 | N1 | 116.4° | 119.0° |
| C20 | C2 | C3 | 118.8° | 119.5° |
| C2 | C20 | H15 | 119.5° | 119.9° |
| C18 | C17 | C3 | 120.8° | 120.1° |
| C18 | C17 | H12 | 119.6° | 119.9° |
| C17 | C18 | H13 | 120.1° | 120.0° |
| C2 | N1 | C1 | 130.5° | 127.0° |
| N1 | C2 | C3 | 124.7° | 121.5° |
| C2 | N1 | H1 | 114.7° | 116.4° |
| N1 | C1 | O1 | 114.9° | 117.0° |
| N1 | C1 | C5 | 124.1° | 126.0° |
| C1 | N1 | H1 | 114.7° | 116.5° |
| C2 | C3 | C17 | 119.4° | 120.0° |
| C2 | C3 | N2 | 122.5° | 120.9° |
| O1 | C1 | C5 | 121.0° | 117.0° |
| C1 | C5 | C6 | 116.8° | 119.7° |
| C1 | C5 | C4 | 125.0° | 120.7° |
| C5 | C6 | C7 | 121.6° | 120.2° |
| C6 | C5 | C4 | 118.0° | 119.5° |
| C5 | C6 | H3 | 119.2° | 119.9° |
| C6 | C7 | C8 | 120.3° | 120.3° |
| C6 | C7 | H4 | 119.8° | 119.9° |
| C7 | C6 | H3 | 119.2° | 119.9° |
| C17 | C3 | N2 | 118.0° | 119.2° |
| C3 | C17 | H12 | 119.6° | 119.9° |
| C3 | N2 | C4 | 124.4° | 119.3° |
| C3 | N2 | H2 | 117.8° | 120.4° |
| C5 | C4 | N2 | 123.6° | 120.0° |
| C5 | C4 | C9 | 119.8° | 120.0° |
| C7 | C8 | C9 | 120.0° | 120.0° |
| C7 | C8 | C10 | 119.3° | 120.0° |
| C8 | C7 | H4 | 119.9° | 119.8° |
| N2 | C4 | C9 | 116.5° | 120.0° |
| C4 | N2 | H2 | 117.8° | 120.4° |
| C4 | C9 | C8 | 120.2° | 119.9° |
| C4 | C9 | H5 | 119.9° | 120.1° |
| C9 | C8 | C10 | 120.7° | 120.0° |
| C8 | C9 | H5 | 119.9° | 120.0° |
| C8 | C10 | C11 | 118.1° | 120.2° |
| C8 | C10 | C15 | 122.3° | 120.2° |
| C10 | C11 | C12 | 119.8° | 120.1° |
| C11 | C10 | C15 | 119.5° | 119.6° |
| C10 | C11 | H6 | 120.1° | 120.0° |
| C11 | C12 | C13 | 120.5° | 120.4° |
| C11 | C12 | H7 | 119.7° | 119.8° |
| C12 | C11 | H6 | 120.1° | 120.0° |
| C10 | C15 | C16 | 122.6° | 120.2° |
| C10 | C15 | C14 | 120.0° | 119.6° |
| C12 | C13 | C14 | 120.1° | 120.4° |
| C12 | C13 | H8 | 120.0° | 119.8° |
| C13 | C12 | H7 | 119.7° | 119.8° |
| C16 | C15 | C14 | 117.2° | 120.2° |
| C15 | C16 | N3 | 118.1° | 120.0° |
| C15 | C16 | O2 | 121.6° | 120.0° |
| C15 | C14 | C13 | 120.0° | 120.0° |
| C15 | C14 | H9 | 120.0° | 120.0° |
| C13 | C14 | H9 | 120.0° | 120.0° |
| C14 | C13 | H8 | 120.0° | 119.8° |
| N3 | C16 | O2 | 120.3° | 120.0° |
| C16 | N3 | H16 | 120.0° | 120.0° |
| C16 | N3 | H17 | 120.0° | 120.0° |
| H16 | N3 | H17 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C18 | H14 | 180.0° | 180.0° |
| C19 | C20 | C2 | H15 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.3° | 0.8° |
| C19 | C20 | C2 | N1 | 177.7° | 176.1° |
| C19 | C20 | C2 | C3 | 0.3° | 1.5° |
| C20 | C19 | C18 | H13 | 179.7° | 179.2° |
| C18 | C19 | C20 | C2 | 0.7° | 0.0° |
| C19 | C18 | C17 | H13 | 180.0° | 180.0° |
| C19 | C18 | C17 | C3 | 0.5° | 0.2° |
| C19 | C18 | C17 | H12 | 179.5° | 179.8° |
| C18 | C19 | C20 | H15 | 179.3° | 179.9° |
| C20 | C2 | N1 | C3 | 177.9° | 177.6° |
| C20 | C2 | N1 | C1 | 153.5° | 142.0° |
| C20 | C2 | C3 | C17 | 0.5° | 2.2° |
| C20 | C2 | C3 | N2 | 175.2° | 177.5° |
| C2 | C20 | C19 | H14 | 179.4° | 179.9° |
| C20 | C2 | N1 | H1 | 26.6° | 38.0° |
| C18 | C17 | C3 | C2 | 0.9° | 1.3° |
| C18 | C17 | C3 | H12 | 180.0° | 180.0° |
| C18 | C17 | C3 | N2 | 175.0° | 178.3° |
| C17 | C18 | C19 | H14 | 179.7° | 179.2° |
| C2 | N1 | C1 | H1 | 180.0° | 180.0° |
| C2 | N1 | C1 | O1 | 174.4° | 178.7° |
| C2 | N1 | C1 | C5 | 4.6° | 1.2° |
| N1 | C2 | C3 | C17 | 178.3° | 175.4° |
| N1 | C2 | C3 | N2 | 2.6° | 5.0° |
| N1 | C2 | C20 | H15 | 2.3° | 3.9° |
| C1 | N1 | C2 | C3 | 28.7° | 40.5° |
| N1 | C1 | O1 | C5 | 179.0° | 180.0° |
| N1 | C1 | C5 | C6 | 159.3° | 142.3° |
| N1 | C1 | C5 | C4 | 25.5° | 39.3° |
| C2 | C3 | C17 | N2 | 175.9° | 179.6° |
| C2 | C3 | N2 | C4 | 52.4° | 61.1° |
| C2 | C3 | N2 | H2 | 127.6° | 118.8° |
| C2 | C3 | C17 | H12 | 179.2° | 178.7° |
| C3 | C2 | C20 | H15 | 179.7° | 178.5° |
| C3 | C2 | N1 | H1 | 151.3° | 139.5° |
| O1 | C1 | C5 | C6 | 19.6° | 37.6° |
| O1 | C1 | C5 | C4 | 155.6° | 140.8° |
| O1 | C1 | N1 | H1 | 5.7° | 1.3° |
| C1 | C5 | C6 | C4 | 175.6° | 178.4° |
| C1 | C5 | C6 | C7 | 173.1° | 176.8° |
| C1 | C5 | C4 | N2 | 2.6° | 5.3° |
| C1 | C5 | C4 | C9 | 173.9° | 175.9° |
| C1 | C5 | C6 | H3 | 6.8° | 3.3° |
| C5 | C1 | N1 | H1 | 175.4° | 178.8° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 1.3° | 0.0° |
| C6 | C5 | C4 | N2 | 177.8° | 176.3° |
| C6 | C5 | C4 | C9 | 1.2° | 2.5° |
| C5 | C6 | C7 | H4 | 178.7° | 180.0° |
| C7 | C6 | C5 | C4 | 2.4° | 1.7° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 1.0° | 0.8° |
| C6 | C7 | C8 | C10 | 177.0° | 178.9° |
| C17 | C3 | N2 | C4 | 131.8° | 118.6° |
| C17 | C3 | N2 | H2 | 48.2° | 61.5° |
| C3 | C17 | C18 | H13 | 179.5° | 179.8° |
| C3 | N2 | C4 | C5 | 48.6° | 59.5° |
| C3 | N2 | C4 | H2 | 180.0° | 179.9° |
| C3 | N2 | C4 | C9 | 134.7° | 119.3° |
| N2 | C3 | C17 | H12 | 4.9° | 1.7° |
| C5 | C4 | N2 | C9 | 176.6° | 178.8° |
| C5 | C4 | C9 | C8 | 1.1° | 1.7° |
| C4 | C5 | C6 | H3 | 177.6° | 178.3° |
| C5 | C4 | C9 | H5 | 178.9° | 178.1° |
| C5 | C4 | N2 | H2 | 131.4° | 120.4° |
| C7 | C8 | C9 | C4 | 2.2° | 0.0° |
| C7 | C8 | C9 | C10 | 178.0° | 179.7° |
| C7 | C8 | C10 | C11 | 121.8° | 119.9° |
| C7 | C8 | C10 | C15 | 53.3° | 60.6° |
| C8 | C7 | C6 | H3 | 178.7° | 179.9° |
| C7 | C8 | C9 | H5 | 177.8° | 179.8° |
| N2 | C4 | C9 | C8 | 175.7° | 177.1° |
| N2 | C4 | C9 | H5 | 4.3° | 3.1° |
| C4 | C9 | C8 | H5 | 180.0° | 179.8° |
| C4 | C9 | C8 | C10 | 175.8° | 179.7° |
| C9 | C4 | N2 | H2 | 45.3° | 60.8° |
| C9 | C8 | C10 | C11 | 60.2° | 60.4° |
| C9 | C8 | C10 | C15 | 124.7° | 119.1° |
| C9 | C8 | C7 | H4 | 179.0° | 179.2° |
| C8 | C10 | C11 | C15 | 175.3° | 179.5° |
| C8 | C10 | C11 | C12 | 172.8° | 180.0° |
| C8 | C10 | C15 | C16 | 15.6° | 0.2° |
| C8 | C10 | C15 | C14 | 170.8° | 180.0° |
| C8 | C10 | C11 | H6 | 7.2° | 0.5° |
| C10 | C8 | C7 | H4 | 3.0° | 1.1° |
| C10 | C8 | C9 | H5 | 4.3° | 0.1° |
| C10 | C11 | C12 | H6 | 180.0° | 179.5° |
| C10 | C11 | C12 | C13 | 0.7° | 0.2° |
| C11 | C10 | C15 | C16 | 169.4° | 179.7° |
| C11 | C10 | C15 | C14 | 4.3° | 0.5° |
| C10 | C11 | C12 | H7 | 179.2° | 179.8° |
| C12 | C11 | C10 | C15 | 2.5° | 0.5° |
| C11 | C12 | C13 | H7 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 2.1° | 0.0° |
| C11 | C12 | C13 | H8 | 177.9° | 180.0° |
| C10 | C15 | C16 | C14 | 173.8° | 179.7° |
| C10 | C15 | C14 | C13 | 2.9° | 0.3° |
| C10 | C15 | C16 | N3 | 64.4° | 173.2° |
| C10 | C15 | C16 | O2 | 118.2° | 6.5° |
| C10 | C15 | C14 | H9 | 177.1° | 179.8° |
| C15 | C10 | C11 | H6 | 177.5° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C12 | C13 | C14 | H8 | 180.0° | 180.0° |
| C12 | C13 | C14 | H9 | 179.7° | 180.0° |
| C13 | C12 | C11 | H6 | 179.3° | 179.7° |
| C16 | C15 | C14 | C13 | 171.1° | 180.0° |
| C15 | C16 | N3 | O2 | 177.5° | 179.7° |
| C15 | C16 | N3 | H16 | 177.5° | 179.7° |
| C15 | C16 | N3 | H17 | 2.5° | 0.2° |
| C16 | C15 | C14 | H9 | 8.9° | 0.0° |
| C15 | C14 | C13 | H9 | 180.0° | 180.0° |
| C14 | C15 | C16 | N3 | 109.4° | 6.5° |
| C14 | C15 | C16 | O2 | 68.0° | 173.7° |
| C15 | C14 | C13 | H8 | 179.7° | 179.9° |
| C14 | C13 | C12 | H7 | 177.8° | 180.0° |
| C16 | N3 | H16 | H17 | 180.0° | 179.9° |
| O2 | C16 | N3 | H16 | 0.0° | 0.0° |
| O2 | C16 | N3 | H17 | 180.0° | 179.9° |
| H9 | C14 | C13 | H8 | 0.3° | 0.0° |
| H8 | C13 | C12 | H7 | 2.1° | 0.0° |
| H7 | C12 | C11 | H6 | 0.7° | 0.3° |
| H4 | C7 | C6 | H3 | 1.3° | 0.0° |
| H12 | C17 | C18 | H13 | 0.5° | 0.2° |
| H13 | C18 | C19 | H14 | 0.3° | 0.8° |
| H14 | C19 | C20 | H15 | 0.7° | 0.1° |
