6HK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| O1 | C1 | doub | 1.21Å | 1.20Å | |
| C1 | O3 | sing | 1.34Å | 1.34Å | |
| C15 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| O2 | C13 | doub | 1.22Å | 1.23Å | |
| N2 | C14 | sing | 1.39Å | 1.41Å | |
| N2 | C13 | sing | 1.32Å | 1.35Å | |
| O3 | C20 | sing | 1.45Å | 1.45Å | |
| C14 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.46Å | 1.50Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.36Å | 1.38Å | Aromatic |
| C12 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.40Å | 1.41Å | |
| C10 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | N1 | sing | 1.38Å | 1.41Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C16 | sing | 1.48Å | 1.49Å | |
| C16 | N4 | sing | 1.38Å | 1.47Å | Aromatic |
| C16 | C17 | doub | 1.36Å | 1.43Å | Aromatic |
| C19 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | C18 | sing | 1.35Å | 1.35Å | Aromatic |
| C17 | N3 | sing | 1.34Å | 1.38Å | Aromatic |
| C18 | N3 | doub | 1.31Å | 1.31Å | Aromatic |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 113.8° | 109.4° |
| C2 | C1 | O1 | 125.3° | 120.0° |
| C2 | C1 | O3 | 111.2° | 120.0° |
| C1 | C2 | H1 | 108.4° | 109.5° |
| C1 | C2 | H2 | 108.4° | 109.5° |
| C2 | C3 | C15 | 120.6° | 119.9° |
| C2 | C3 | C4 | 121.0° | 119.9° |
| C3 | C2 | H1 | 108.4° | 109.5° |
| C3 | C2 | H2 | 108.4° | 109.5° |
| O1 | C1 | O3 | 123.5° | 120.0° |
| C1 | O3 | C20 | 117.6° | 117.0° |
| C3 | C15 | C14 | 121.4° | 120.3° |
| C15 | C3 | C4 | 118.4° | 120.2° |
| C3 | C15 | H10 | 119.3° | 119.9° |
| C15 | C14 | N2 | 117.8° | 119.1° |
| C15 | C14 | C6 | 119.3° | 119.4° |
| C14 | C15 | H10 | 119.3° | 119.8° |
| C3 | C4 | C5 | 121.2° | 120.0° |
| C3 | C4 | H3 | 119.4° | 120.0° |
| O2 | C13 | N2 | 120.2° | 117.0° |
| O2 | C13 | C12 | 119.4° | 117.1° |
| C14 | N2 | C13 | 137.3° | 127.2° |
| N2 | C14 | C6 | 122.9° | 121.6° |
| C14 | N2 | H9 | 111.3° | 116.4° |
| N2 | C13 | C12 | 120.4° | 125.8° |
| C13 | N2 | H9 | 111.3° | 116.4° |
| O3 | C20 | H203 | 109.5° | 109.5° |
| O3 | C20 | H202 | 109.5° | 109.5° |
| O3 | C20 | H201 | 109.5° | 109.5° |
| C14 | C6 | C5 | 119.3° | 120.0° |
| C14 | C6 | N1 | 122.1° | 120.8° |
| C13 | C12 | C11 | 116.0° | 119.8° |
| C13 | C12 | C7 | 125.3° | 120.7° |
| C4 | C5 | C6 | 120.3° | 120.1° |
| C4 | C5 | H4 | 119.9° | 119.9° |
| C5 | C4 | H3 | 119.4° | 120.0° |
| C12 | C11 | C10 | 121.5° | 120.3° |
| C11 | C12 | C7 | 118.0° | 119.5° |
| C12 | C11 | H8 | 119.3° | 119.8° |
| C11 | C10 | C9 | 120.6° | 120.4° |
| C10 | C11 | H8 | 119.3° | 119.8° |
| C11 | C10 | H7 | 119.7° | 119.8° |
| C12 | C7 | N1 | 125.3° | 120.3° |
| C12 | C7 | C8 | 119.8° | 119.9° |
| C5 | C6 | N1 | 118.4° | 119.2° |
| C6 | C5 | H4 | 119.9° | 119.9° |
| C6 | N1 | C7 | 124.9° | 119.3° |
| C6 | N1 | H5 | 117.6° | 120.5° |
| C10 | C9 | C8 | 118.5° | 119.9° |
| C10 | C9 | C16 | 122.8° | 120.0° |
| C9 | C10 | H7 | 119.7° | 119.8° |
| N1 | C7 | C8 | 114.4° | 119.8° |
| C7 | N1 | H5 | 117.5° | 120.2° |
| C7 | C8 | C9 | 121.5° | 119.9° |
| C7 | C8 | H6 | 119.3° | 120.1° |
| C8 | C9 | C16 | 118.3° | 120.0° |
| C9 | C8 | H6 | 119.2° | 120.0° |
| C9 | C16 | N4 | 134.9° | 126.8° |
| C9 | C16 | C17 | 123.3° | 126.8° |
| N4 | C16 | C17 | 101.5° | 106.5° |
| C16 | N4 | C19 | 129.8° | 126.5° |
| C16 | N4 | C18 | 106.4° | 107.1° |
| C16 | C17 | N3 | 112.1° | 107.8° |
| C16 | C17 | H11 | 123.9° | 126.1° |
| C19 | N4 | C18 | 123.7° | 126.5° |
| N4 | C19 | H193 | 109.5° | 109.4° |
| N4 | C19 | H191 | 109.5° | 109.5° |
| N4 | C19 | H192 | 109.5° | 109.5° |
| N4 | C18 | N3 | 114.8° | 109.0° |
| N4 | C18 | H12 | 122.6° | 125.4° |
| C17 | N3 | C18 | 105.2° | 109.6° |
| N3 | C17 | H11 | 123.9° | 126.1° |
| N3 | C18 | H12 | 122.6° | 125.5° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H203 | C20 | H202 | 109.4° | 109.5° |
| H203 | C20 | H201 | 109.5° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.4° |
| H193 | C19 | H191 | 109.5° | 109.5° |
| H193 | C19 | H192 | 109.5° | 109.4° |
| H191 | C19 | H192 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H1 | 120.6° | 120.1° |
| C1 | C2 | C3 | H2 | 120.6° | 120.0° |
| C2 | C1 | O1 | O3 | 179.1° | 179.9° |
| C1 | C2 | C3 | C15 | 103.9° | 90.0° |
| C1 | C2 | C3 | C4 | 77.4° | 90.0° |
| C2 | C1 | O3 | C20 | 176.2° | 180.0° |
| C1 | C2 | H1 | H2 | 118.1° | 120.0° |
| C3 | C2 | C1 | O1 | 116.9° | 0.0° |
| C3 | C2 | C1 | O3 | 64.0° | 180.0° |
| C2 | C3 | C15 | C4 | 178.8° | 180.0° |
| C2 | C3 | C15 | C14 | 179.3° | 179.9° |
| C2 | C3 | C4 | C5 | 179.7° | 179.2° |
| C2 | C3 | C4 | H3 | 0.3° | 0.8° |
| C2 | C3 | C15 | H10 | 0.7° | 0.2° |
| C3 | C2 | H1 | H2 | 118.0° | 120.0° |
| O1 | C1 | O3 | C20 | 4.6° | 0.1° |
| O1 | C1 | C2 | H1 | 3.8° | 120.0° |
| O1 | C1 | C2 | H2 | 122.5° | 120.0° |
| O3 | C1 | C2 | H1 | 175.4° | 59.9° |
| O3 | C1 | C2 | H2 | 56.7° | 60.1° |
| C1 | O3 | C20 | H203 | 180.0° | 180.0° |
| C1 | O3 | C20 | H202 | 60.0° | 59.9° |
| C1 | O3 | C20 | H201 | 60.0° | 60.0° |
| C3 | C15 | C14 | H10 | 180.0° | 179.9° |
| C3 | C15 | C14 | N2 | 179.0° | 178.1° |
| C3 | C15 | C14 | C6 | 0.9° | 1.4° |
| C15 | C3 | C4 | C5 | 0.9° | 0.8° |
| C15 | C3 | C4 | H3 | 179.1° | 179.2° |
| C15 | C3 | C2 | H1 | 16.8° | 149.9° |
| C15 | C3 | C2 | H2 | 135.5° | 30.0° |
| C14 | C15 | C3 | C4 | 0.5° | 0.1° |
| C15 | C14 | N2 | C6 | 179.9° | 179.6° |
| C15 | C14 | N2 | C13 | 154.2° | 139.9° |
| C15 | C14 | C6 | C5 | 1.9° | 2.3° |
| C15 | C14 | C6 | N1 | 173.6° | 175.2° |
| C15 | C14 | N2 | H9 | 25.8° | 40.1° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | H4 | 179.9° | 179.9° |
| C4 | C3 | C15 | H10 | 179.5° | 179.8° |
| C4 | C3 | C2 | H1 | 162.0° | 30.0° |
| C4 | C3 | C2 | H2 | 43.3° | 150.0° |
| O2 | C13 | N2 | C14 | 174.8° | 178.9° |
| O2 | C13 | N2 | C12 | 179.1° | 179.8° |
| O2 | C13 | C12 | C11 | 13.3° | 38.5° |
| O2 | C13 | C12 | C7 | 157.0° | 140.9° |
| O2 | C13 | N2 | H9 | 5.2° | 1.1° |
| C14 | N2 | C13 | H9 | 180.0° | 180.0° |
| C14 | N2 | C13 | C12 | 6.0° | 1.3° |
| N2 | C14 | C6 | C5 | 178.0° | 177.3° |
| N2 | C14 | C6 | N1 | 6.5° | 5.2° |
| N2 | C14 | C15 | H10 | 1.0° | 1.8° |
| C13 | N2 | C14 | C6 | 25.7° | 40.5° |
| N2 | C13 | C12 | C11 | 167.6° | 141.7° |
| N2 | C13 | C12 | C7 | 22.1° | 38.9° |
| O3 | C20 | H203 | H202 | 120.0° | 120.1° |
| O3 | C20 | H203 | H201 | 120.0° | 120.0° |
| O3 | C20 | H202 | H201 | 120.0° | 120.0° |
| C14 | C6 | C5 | C4 | 1.5° | 1.5° |
| C14 | C6 | C5 | N1 | 175.6° | 177.5° |
| C14 | C6 | N1 | C7 | 50.6° | 60.8° |
| C6 | C14 | N2 | H9 | 154.3° | 139.5° |
| C14 | C6 | C5 | H4 | 178.5° | 178.4° |
| C6 | C14 | C15 | H10 | 179.0° | 178.6° |
| C14 | C6 | N1 | H5 | 129.4° | 119.1° |
| C13 | C12 | C11 | C7 | 171.0° | 179.4° |
| C13 | C12 | C11 | C10 | 168.4° | 177.9° |
| C13 | C12 | C7 | N1 | 2.0° | 4.9° |
| C13 | C12 | C7 | C8 | 169.8° | 176.7° |
| C12 | C13 | N2 | H9 | 174.0° | 178.7° |
| C13 | C12 | C11 | H8 | 11.6° | 2.3° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | N1 | 174.1° | 176.0° |
| C12 | C11 | C10 | H8 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 3.1° | 0.3° |
| C11 | C12 | C7 | N1 | 172.1° | 175.7° |
| C11 | C12 | C7 | C8 | 0.3° | 2.7° |
| C12 | C11 | C10 | H7 | 176.9° | 179.7° |
| C10 | C11 | C12 | C7 | 2.6° | 1.6° |
| C11 | C10 | C9 | H7 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 1.1° | 1.0° |
| C11 | C10 | C9 | C16 | 174.2° | 178.9° |
| C12 | C7 | N1 | C6 | 46.3° | 59.7° |
| C12 | C7 | N1 | C8 | 172.2° | 178.4° |
| C12 | C7 | C8 | C9 | 1.6° | 1.9° |
| C12 | C7 | N1 | H5 | 133.8° | 120.2° |
| C7 | C12 | C11 | H8 | 177.4° | 178.3° |
| C12 | C7 | C8 | H6 | 178.4° | 178.0° |
| C5 | C6 | N1 | C7 | 133.9° | 116.8° |
| C6 | C5 | C4 | H3 | 179.9° | 180.0° |
| C5 | C6 | N1 | H5 | 46.1° | 63.4° |
| C6 | N1 | C7 | H5 | 180.0° | 179.9° |
| C6 | N1 | C7 | C8 | 141.6° | 118.7° |
| N1 | C6 | C5 | H4 | 5.9° | 4.1° |
| C10 | C9 | C8 | C7 | 1.2° | 0.1° |
| C10 | C9 | C8 | C16 | 173.4° | 179.9° |
| C10 | C9 | C16 | N4 | 15.1° | 19.9° |
| C10 | C9 | C16 | C17 | 172.7° | 159.7° |
| C9 | C10 | C11 | H8 | 176.9° | 179.9° |
| C10 | C9 | C8 | H6 | 178.8° | 179.9° |
| N1 | C7 | C8 | C9 | 171.0° | 176.4° |
| N1 | C7 | C8 | H6 | 9.0° | 3.6° |
| C7 | C8 | C9 | H6 | 180.0° | 180.0° |
| C7 | C8 | C9 | C16 | 172.2° | 180.0° |
| C8 | C7 | N1 | H5 | 38.4° | 61.4° |
| C8 | C9 | C16 | N4 | 158.0° | 160.0° |
| C8 | C9 | C16 | C17 | 14.2° | 20.3° |
| C8 | C9 | C10 | H7 | 178.9° | 179.0° |
| C9 | C16 | N4 | C17 | 173.4° | 179.7° |
| C9 | C16 | N4 | C19 | 1.8° | 0.0° |
| C9 | C16 | N4 | C18 | 174.6° | 180.0° |
| C9 | C16 | C17 | N3 | 175.4° | 179.9° |
| C16 | C9 | C10 | H7 | 5.8° | 1.1° |
| C16 | C9 | C8 | H6 | 7.8° | 0.0° |
| C9 | C16 | C17 | H11 | 4.6° | 0.0° |
| C16 | N4 | C19 | C18 | 175.8° | 179.9° |
| N4 | C16 | C17 | N3 | 1.0° | 0.4° |
| C16 | N4 | C18 | N3 | 1.0° | 0.0° |
| C16 | N4 | C19 | H193 | 180.0° | 84.0° |
| C16 | N4 | C19 | H191 | 60.0° | 156.0° |
| C16 | N4 | C19 | H192 | 60.0° | 35.9° |
| C16 | N4 | C18 | H12 | 179.0° | 180.0° |
| N4 | C16 | C17 | H11 | 179.0° | 179.7° |
| C17 | C16 | N4 | C19 | 175.2° | 179.7° |
| C17 | C16 | N4 | C18 | 1.2° | 0.2° |
| C16 | C17 | N3 | H11 | 180.0° | 179.9° |
| C16 | C17 | N3 | C18 | 0.5° | 0.5° |
| C19 | N4 | C18 | N3 | 175.6° | 180.0° |
| N4 | C19 | H193 | H191 | 120.0° | 120.0° |
| N4 | C19 | H193 | H192 | 120.0° | 120.0° |
| N4 | C19 | H191 | H192 | 120.0° | 120.0° |
| C19 | N4 | C18 | H12 | 4.4° | 0.1° |
| N4 | C18 | N3 | C17 | 0.4° | 0.3° |
| N4 | C18 | N3 | H12 | 180.0° | 179.9° |
| C18 | N4 | C19 | H193 | 4.2° | 95.9° |
| C18 | N4 | C19 | H191 | 115.8° | 24.1° |
| C18 | N4 | C19 | H192 | 124.2° | 144.1° |
| C17 | N3 | C18 | H12 | 179.6° | 179.8° |
| C18 | N3 | C17 | H11 | 179.5° | 179.7° |
| H4 | C5 | C4 | H3 | 0.1° | 0.1° |
| H203 | C20 | H202 | H201 | 120.0° | 120.0° |
| H8 | C11 | C10 | H7 | 3.1° | 0.2° |
| H193 | C19 | H191 | H192 | 120.0° | 120.0° |
