H5K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | doub | 1.36Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.42Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.40Å | Aromatic |
| O2 | C1 | doub | 1.22Å | 1.23Å | |
| O3 | C8 | doub | 1.22Å | 1.23Å | |
| C2 | C1 | sing | 1.47Å | 1.50Å | |
| C2 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C16 | sing | 1.42Å | 1.42Å | Aromatic |
| C1 | O1 | sing | 1.35Å | 1.31Å | |
| C8 | N2 | sing | 1.35Å | 1.37Å | |
| C8 | N1 | sing | 1.35Å | 1.38Å | |
| N2 | C9 | sing | 1.39Å | 1.41Å | |
| C17 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| C7 | N1 | sing | 1.40Å | 1.42Å | |
| C7 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.41Å | 1.42Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | N4 | sing | 1.33Å | 1.34Å | Aromatic |
| C14 | C15 | sing | 1.36Å | 1.36Å | Aromatic |
| C10 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| N4 | C12 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | C11 | doub | 1.33Å | 1.35Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C13 | sing | 1.43Å | 1.42Å | |
| C13 | N5 | trip | 1.14Å | 1.14Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 121.1° | 120.1° |
| C4 | C3 | C2 | 121.0° | 120.8° |
| C3 | C4 | H3 | 119.4° | 119.9° |
| C4 | C3 | H2 | 119.5° | 119.6° |
| C4 | C5 | C6 | 122.6° | 120.9° |
| C4 | C5 | C16 | 118.5° | 119.7° |
| C5 | C4 | H3 | 119.4° | 120.0° |
| C3 | C2 | C1 | 119.7° | 119.8° |
| C3 | C2 | C17 | 119.3° | 120.5° |
| C2 | C3 | H2 | 119.5° | 119.6° |
| O2 | C1 | C2 | 121.4° | 120.0° |
| O2 | C1 | O1 | 122.7° | 120.0° |
| O3 | C8 | N2 | 122.0° | 120.0° |
| O3 | C8 | N1 | 123.5° | 120.0° |
| C1 | C2 | C17 | 121.0° | 119.7° |
| C2 | C1 | O1 | 115.9° | 120.0° |
| C2 | C17 | C16 | 121.3° | 119.5° |
| C2 | C17 | H11 | 119.3° | 120.3° |
| C5 | C6 | C7 | 120.9° | 119.6° |
| C6 | C5 | C16 | 118.9° | 119.4° |
| C5 | C6 | H4 | 119.6° | 120.2° |
| C6 | C7 | N1 | 122.3° | 119.7° |
| C6 | C7 | C14 | 119.6° | 120.7° |
| C7 | C6 | H4 | 119.5° | 120.2° |
| C5 | C16 | C17 | 118.7° | 119.5° |
| C5 | C16 | C15 | 118.5° | 119.5° |
| C1 | O1 | H1 | 109.5° | 117.0° |
| N2 | C8 | N1 | 114.4° | 120.0° |
| C8 | N2 | C9 | 132.2° | 120.0° |
| C8 | N2 | H6 | 113.9° | 120.0° |
| C8 | N1 | C7 | 127.4° | 120.0° |
| C8 | N1 | H5 | 116.3° | 120.0° |
| N2 | C9 | C10 | 120.0° | 120.0° |
| N2 | C9 | N4 | 118.5° | 120.0° |
| C9 | N2 | H6 | 113.9° | 120.0° |
| C17 | C16 | C15 | 122.8° | 121.0° |
| C16 | C17 | H11 | 119.3° | 120.2° |
| N1 | C7 | C14 | 118.1° | 119.6° |
| C7 | N1 | H5 | 116.3° | 120.0° |
| C7 | C14 | C15 | 121.1° | 120.9° |
| C7 | C14 | H9 | 119.4° | 119.6° |
| C16 | C15 | C14 | 120.9° | 120.0° |
| C16 | C15 | H10 | 119.5° | 120.0° |
| C10 | C9 | N4 | 121.5° | 120.0° |
| C9 | C10 | N3 | 121.8° | 120.1° |
| C9 | C10 | H7 | 119.1° | 119.9° |
| C9 | N4 | C12 | 117.6° | 120.1° |
| C15 | C14 | H9 | 119.5° | 119.6° |
| C14 | C15 | H10 | 119.5° | 120.1° |
| C10 | N3 | C11 | 116.9° | 120.0° |
| N3 | C10 | H7 | 119.1° | 120.0° |
| N4 | C12 | C11 | 120.5° | 120.0° |
| N4 | C12 | H8 | 119.7° | 120.0° |
| N3 | C11 | C12 | 121.7° | 119.9° |
| N3 | C11 | C13 | 117.6° | 120.0° |
| C12 | C11 | C13 | 120.6° | 120.1° |
| C11 | C12 | H8 | 119.7° | 120.0° |
| C11 | C13 | N5 | 178.5° | 180.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 177.4° | 180.0° |
| C4 | C3 | C2 | C17 | 0.0° | 0.1° |
| C3 | C4 | C5 | C6 | 178.4° | 179.9° |
| C3 | C4 | C5 | C16 | 0.3° | 0.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.1° |
| C4 | C5 | C6 | C16 | 178.7° | 180.0° |
| C4 | C5 | C6 | C7 | 179.7° | 179.9° |
| C4 | C5 | C16 | C17 | 1.0° | 0.0° |
| C4 | C5 | C16 | C15 | 179.7° | 179.8° |
| C4 | C5 | C6 | H4 | 0.3° | 0.0° |
| C5 | C4 | C3 | H2 | 179.8° | 180.0° |
| C3 | C2 | C1 | O2 | 3.1° | 180.0° |
| C3 | C2 | C1 | C17 | 177.4° | 179.9° |
| C3 | C2 | C1 | O1 | 176.3° | 0.0° |
| C3 | C2 | C17 | C16 | 0.8° | 0.2° |
| C2 | C3 | C4 | H3 | 179.7° | 180.0° |
| C3 | C2 | C17 | H11 | 179.2° | 179.7° |
| O2 | C1 | C2 | O1 | 179.4° | 180.0° |
| O2 | C1 | C2 | C17 | 179.5° | 0.1° |
| O2 | C1 | O1 | H1 | 0.0° | 0.0° |
| O3 | C8 | N2 | N1 | 178.1° | 179.9° |
| O3 | C8 | N2 | C9 | 177.3° | 5.1° |
| O3 | C8 | N1 | C7 | 15.4° | 4.5° |
| O3 | C8 | N2 | H6 | 2.7° | 174.9° |
| O3 | C8 | N1 | H5 | 164.7° | 175.5° |
| C1 | C2 | C17 | C16 | 176.6° | 180.0° |
| C1 | C2 | C3 | H2 | 2.6° | 0.0° |
| C1 | C2 | C17 | H11 | 3.4° | 0.2° |
| C2 | C1 | O1 | H1 | 179.4° | 180.0° |
| C2 | C17 | C16 | C5 | 1.3° | 0.1° |
| C17 | C2 | C1 | O1 | 1.1° | 179.9° |
| C2 | C17 | C16 | H11 | 180.0° | 179.8° |
| C2 | C17 | C16 | C15 | 179.5° | 179.9° |
| C17 | C2 | C3 | H2 | 180.0° | 179.9° |
| C5 | C6 | C7 | H4 | 180.0° | 180.0° |
| C6 | C5 | C16 | C17 | 177.7° | 180.0° |
| C5 | C6 | C7 | N1 | 179.9° | 179.9° |
| C5 | C6 | C7 | C14 | 0.1° | 0.3° |
| C6 | C5 | C16 | C15 | 1.5° | 0.2° |
| C6 | C5 | C4 | H3 | 1.6° | 0.1° |
| C7 | C6 | C5 | C16 | 1.1° | 0.0° |
| C6 | C7 | N1 | C8 | 11.4° | 145.1° |
| C6 | C7 | N1 | C14 | 180.0° | 179.7° |
| C6 | C7 | C14 | C15 | 0.9° | 0.3° |
| C6 | C7 | N1 | H5 | 168.6° | 34.9° |
| C6 | C7 | C14 | H9 | 179.1° | 179.8° |
| C5 | C16 | C17 | C15 | 179.2° | 179.8° |
| C5 | C16 | C15 | C14 | 0.9° | 0.2° |
| C16 | C5 | C6 | H4 | 179.0° | 180.0° |
| C5 | C16 | C15 | H10 | 179.1° | 179.8° |
| C16 | C5 | C4 | H3 | 179.8° | 179.9° |
| C5 | C16 | C17 | H11 | 178.7° | 179.8° |
| C8 | N2 | C9 | H6 | 180.0° | 179.9° |
| N2 | C8 | N1 | C7 | 162.7° | 175.4° |
| C8 | N2 | C9 | C10 | 175.9° | 174.9° |
| C8 | N2 | C9 | N4 | 4.5° | 4.8° |
| N2 | C8 | N1 | H5 | 17.3° | 4.5° |
| N1 | C8 | N2 | C9 | 4.6° | 174.9° |
| C8 | N1 | C7 | H5 | 180.0° | 180.0° |
| C8 | N1 | C7 | C14 | 168.6° | 35.3° |
| N1 | C8 | N2 | H6 | 175.4° | 5.0° |
| N2 | C9 | C10 | N4 | 179.5° | 179.7° |
| N2 | C9 | C10 | N3 | 178.0° | 180.0° |
| N2 | C9 | N4 | C12 | 179.7° | 180.0° |
| N2 | C9 | C10 | H7 | 2.0° | 0.1° |
| C17 | C16 | C15 | C14 | 178.3° | 180.0° |
| C17 | C16 | C15 | H10 | 1.7° | 0.0° |
| N1 | C7 | C14 | C15 | 179.1° | 180.0° |
| N1 | C7 | C6 | H4 | 0.2° | 0.1° |
| N1 | C7 | C14 | H9 | 0.9° | 0.1° |
| C7 | C14 | C15 | C16 | 0.3° | 0.0° |
| C7 | C14 | C15 | H9 | 180.0° | 180.0° |
| C14 | C7 | N1 | H5 | 11.4° | 144.8° |
| C14 | C7 | C6 | H4 | 179.8° | 179.7° |
| C7 | C14 | C15 | H10 | 179.7° | 180.0° |
| C16 | C15 | C14 | H10 | 180.0° | 180.0° |
| C16 | C15 | C14 | H9 | 179.7° | 180.0° |
| C15 | C16 | C17 | H11 | 0.5° | 0.1° |
| C9 | C10 | N3 | H7 | 180.0° | 179.9° |
| C10 | C9 | N4 | C12 | 0.2° | 0.3° |
| C9 | C10 | N3 | C11 | 3.2° | 0.0° |
| C10 | C9 | N2 | H6 | 4.1° | 5.0° |
| N4 | C9 | C10 | N3 | 2.5° | 0.3° |
| C9 | N4 | C12 | C11 | 1.1° | 0.0° |
| N4 | C9 | C10 | H7 | 177.5° | 179.7° |
| C9 | N4 | C12 | H8 | 178.8° | 180.0° |
| N4 | C9 | N2 | H6 | 175.4° | 175.3° |
| C10 | N3 | C11 | C12 | 1.9° | 0.3° |
| C10 | N3 | C11 | C13 | 174.4° | 180.0° |
| N4 | C12 | C11 | N3 | 0.3° | 0.3° |
| N4 | C12 | C11 | H8 | 180.0° | 180.0° |
| N4 | C12 | C11 | C13 | 176.5° | 180.0° |
| N3 | C11 | C12 | C13 | 176.2° | 179.7° |
| N3 | C11 | C13 | N5 | 48.8° | 118.6° |
| C11 | N3 | C10 | H7 | 176.8° | 179.9° |
| N3 | C11 | C12 | H8 | 179.7° | 179.7° |
| C12 | C11 | C13 | N5 | 127.5° | 61.7° |
| C13 | C11 | C12 | H8 | 3.5° | 0.0° |
| H9 | C14 | C15 | H10 | 0.3° | 0.0° |
| H3 | C4 | C3 | H2 | 0.3° | 0.0° |
