5N4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.37Å | 1.37Å | Aromatic |
| N23 | C22 | sing | 1.37Å | 1.37Å | Aromatic |
| N23 | N25 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C17 | sing | 1.41Å | 1.42Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| N25 | C16 | doub | 1.31Å | 1.31Å | Aromatic |
| C17 | C16 | sing | 1.46Å | 1.48Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.37Å | 1.37Å | Aromatic |
| C16 | N15 | sing | 1.40Å | 1.41Å | |
| N15 | C5 | sing | 1.39Å | 1.39Å | |
| C5 | N6 | doub | 1.33Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| N6 | C7 | sing | 1.33Å | 1.33Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.37Å | 1.37Å | Aromatic |
| C11 | N12 | doub | 1.31Å | 1.31Å | Aromatic |
| C4 | C26 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C9 | sing | 1.48Å | 1.48Å | |
| C7 | N8 | doub | 1.33Å | 1.32Å | Aromatic |
| C26 | O27 | sing | 1.44Å | 1.44Å | |
| C9 | N13 | sing | 1.36Å | 1.37Å | Aromatic |
| N12 | N13 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | N8 | sing | 1.32Å | 1.32Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| N13 | C14 | sing | 1.46Å | 1.47Å | |
| O27 | C2 | sing | 1.44Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | C28 | sing | 1.53Å | 1.54Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| N15 | H9 | sing | 0.97Å | 1.00Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| N23 | H14 | sing | 0.97Å | 1.00Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C20 | 119.2° | 119.8° |
| C21 | C22 | N23 | 133.1° | 133.8° |
| C21 | C22 | C17 | 120.6° | 119.4° |
| C22 | C21 | H13 | 120.4° | 120.0° |
| C21 | C20 | C19 | 120.6° | 120.8° |
| C21 | C20 | H12 | 119.7° | 119.5° |
| C20 | C21 | H13 | 120.4° | 120.1° |
| C22 | N23 | N25 | 109.9° | 109.2° |
| N23 | C22 | C17 | 106.3° | 106.8° |
| C22 | N23 | H14 | 125.1° | 125.4° |
| N23 | N25 | C16 | 110.5° | 110.1° |
| N25 | N23 | H14 | 125.0° | 125.4° |
| C22 | C17 | C16 | 106.1° | 106.3° |
| C22 | C17 | C18 | 118.9° | 119.7° |
| C20 | C19 | C18 | 121.3° | 120.6° |
| C20 | C19 | H11 | 119.3° | 119.7° |
| C19 | C20 | H12 | 119.7° | 119.6° |
| N25 | C16 | C17 | 107.2° | 107.6° |
| N25 | C16 | N15 | 123.8° | 126.2° |
| C16 | C17 | C18 | 135.1° | 134.0° |
| C17 | C16 | N15 | 129.0° | 126.1° |
| C17 | C18 | C19 | 119.4° | 119.6° |
| C17 | C18 | H10 | 120.3° | 120.2° |
| C19 | C18 | H10 | 120.3° | 120.1° |
| C18 | C19 | H11 | 119.4° | 119.7° |
| C16 | N15 | C5 | 124.6° | 120.0° |
| C16 | N15 | H9 | 117.7° | 120.0° |
| N15 | C5 | N6 | 121.5° | 120.6° |
| N15 | C5 | C4 | 120.9° | 120.6° |
| C5 | N15 | H9 | 117.7° | 120.0° |
| N6 | C5 | C4 | 117.6° | 118.7° |
| C5 | N6 | C7 | 122.5° | 120.6° |
| C5 | C4 | C26 | 133.6° | 133.7° |
| C5 | C4 | C3 | 118.5° | 118.9° |
| N6 | C7 | C9 | 118.9° | 119.1° |
| N6 | C7 | N8 | 120.5° | 121.8° |
| C11 | C10 | C9 | 107.9° | 107.8° |
| C10 | C11 | N12 | 109.0° | 108.6° |
| C10 | C11 | H4 | 125.5° | 125.6° |
| C11 | C10 | H5 | 126.1° | 126.1° |
| C10 | C9 | C7 | 124.5° | 126.4° |
| C10 | C9 | N13 | 107.3° | 107.3° |
| C9 | C10 | H5 | 126.1° | 126.1° |
| C11 | N12 | N13 | 108.7° | 108.6° |
| N12 | C11 | H4 | 125.5° | 125.7° |
| C26 | C4 | C3 | 107.9° | 107.5° |
| C4 | C26 | O27 | 106.8° | 106.0° |
| C4 | C26 | H15 | 110.1° | 110.2° |
| C4 | C26 | H16 | 110.1° | 110.1° |
| C4 | C3 | N8 | 119.3° | 119.4° |
| C4 | C3 | C2 | 108.5° | 107.2° |
| C9 | C7 | N8 | 120.6° | 119.1° |
| C7 | C9 | N13 | 128.2° | 126.3° |
| C7 | N8 | C3 | 121.5° | 120.7° |
| C26 | O27 | C2 | 108.2° | 104.9° |
| O27 | C26 | H15 | 110.1° | 110.2° |
| O27 | C26 | H16 | 110.2° | 110.2° |
| C9 | N13 | N12 | 107.1° | 107.6° |
| C9 | N13 | C14 | 128.0° | 126.1° |
| N12 | N13 | C14 | 124.8° | 126.2° |
| N8 | C3 | C2 | 132.2° | 133.5° |
| C3 | C2 | O27 | 106.1° | 106.0° |
| C3 | C2 | C1 | 108.9° | 110.2° |
| C3 | C2 | C28 | 110.8° | 110.2° |
| N13 | C14 | H1 | 109.5° | 109.5° |
| N13 | C14 | H2 | 109.5° | 109.4° |
| N13 | C14 | H3 | 109.5° | 109.5° |
| O27 | C2 | C1 | 111.8° | 110.2° |
| O27 | C2 | C28 | 108.9° | 110.2° |
| C1 | C2 | C28 | 110.3° | 110.1° |
| C2 | C1 | H6 | 109.5° | 109.5° |
| C2 | C1 | H7 | 109.4° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C28 | H17 | 109.5° | 109.5° |
| C2 | C28 | H18 | 109.5° | 109.5° |
| C2 | C28 | H19 | 109.5° | 109.4° |
| H1 | C14 | H2 | 109.4° | 109.4° |
| H1 | C14 | H3 | 109.5° | 109.5° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H8 | 109.4° | 109.4° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H15 | C26 | H16 | 109.5° | 110.2° |
| H17 | C28 | H18 | 109.5° | 109.5° |
| H17 | C28 | H19 | 109.4° | 109.4° |
| H18 | C28 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C20 | H13 | 180.0° | 180.0° |
| C21 | C22 | N23 | C17 | 179.6° | 179.9° |
| C21 | C22 | N23 | N25 | 179.7° | 179.8° |
| C22 | C21 | C20 | C19 | 0.5° | 0.0° |
| C21 | C22 | C17 | C16 | 179.7° | 179.9° |
| C21 | C22 | C17 | C18 | 0.3° | 0.1° |
| C22 | C21 | C20 | H12 | 179.5° | 180.0° |
| C21 | C22 | N23 | H14 | 0.3° | 0.1° |
| C20 | C21 | C22 | N23 | 179.1° | 179.9° |
| C20 | C21 | C22 | C17 | 1.3° | 0.0° |
| C21 | C20 | C19 | H12 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 1.3° | 0.0° |
| C21 | C20 | C19 | H11 | 178.7° | 179.9° |
| C22 | N23 | N25 | H14 | 180.0° | 179.7° |
| C22 | N23 | N25 | C16 | 0.1° | 0.5° |
| N23 | C22 | C17 | C16 | 0.0° | 0.0° |
| N23 | C22 | C17 | C18 | 180.0° | 180.0° |
| N23 | C22 | C21 | H13 | 0.9° | 0.1° |
| N25 | N23 | C22 | C17 | 0.1° | 0.3° |
| N23 | N25 | C16 | C17 | 0.1° | 0.4° |
| N23 | N25 | C16 | N15 | 178.7° | 179.9° |
| C22 | C17 | C16 | N25 | 0.1° | 0.3° |
| C22 | C17 | C16 | C18 | 180.0° | 179.9° |
| C22 | C17 | C18 | C19 | 1.5° | 0.1° |
| C22 | C17 | C16 | N15 | 178.6° | 179.9° |
| C22 | C17 | C18 | H10 | 178.5° | 180.0° |
| C17 | C22 | C21 | H13 | 178.7° | 180.0° |
| C17 | C22 | N23 | H14 | 179.9° | 180.0° |
| C20 | C19 | C18 | C17 | 2.3° | 0.0° |
| C20 | C19 | C18 | H11 | 180.0° | 179.9° |
| C20 | C19 | C18 | H10 | 177.7° | 179.9° |
| C19 | C20 | C21 | H13 | 179.5° | 180.0° |
| N25 | C16 | C17 | N15 | 178.7° | 179.7° |
| N25 | C16 | C17 | C18 | 180.0° | 179.7° |
| N25 | C16 | N15 | C5 | 135.4° | 0.4° |
| N25 | C16 | N15 | H9 | 44.6° | 179.7° |
| C16 | N25 | N23 | H14 | 179.9° | 179.8° |
| C16 | C17 | C18 | C19 | 178.5° | 180.0° |
| C17 | C16 | N15 | C5 | 46.1° | 180.0° |
| C17 | C16 | N15 | H9 | 133.9° | 0.0° |
| C16 | C17 | C18 | H10 | 1.4° | 0.1° |
| C17 | C18 | C19 | H10 | 180.0° | 179.9° |
| C18 | C17 | C16 | N15 | 1.3° | 0.0° |
| C17 | C18 | C19 | H11 | 177.7° | 180.0° |
| C18 | C19 | C20 | H12 | 178.7° | 180.0° |
| C16 | N15 | C5 | H9 | 180.0° | 180.0° |
| C16 | N15 | C5 | N6 | 6.0° | 0.0° |
| C16 | N15 | C5 | C4 | 173.9° | 180.0° |
| N15 | C5 | N6 | C4 | 179.9° | 180.0° |
| N15 | C5 | N6 | C7 | 177.3° | 180.0° |
| N15 | C5 | C4 | C26 | 0.0° | 0.0° |
| N15 | C5 | C4 | C3 | 179.2° | 179.7° |
| N6 | C5 | C4 | C26 | 179.9° | 180.0° |
| N6 | C5 | C4 | C3 | 0.7° | 0.3° |
| C5 | N6 | C7 | C9 | 179.3° | 180.0° |
| C5 | N6 | C7 | N8 | 3.7° | 0.4° |
| N6 | C5 | N15 | H9 | 174.0° | 180.0° |
| C4 | C5 | N6 | C7 | 2.6° | 0.0° |
| C5 | C4 | C26 | C3 | 179.3° | 179.7° |
| C5 | C4 | C26 | O27 | 171.4° | 162.2° |
| C5 | C4 | C3 | N8 | 0.2° | 0.3° |
| C5 | C4 | C3 | C2 | 179.2° | 179.8° |
| C4 | C5 | N15 | H9 | 6.1° | 0.0° |
| C5 | C4 | C26 | H15 | 51.8° | 43.0° |
| C5 | C4 | C26 | H16 | 69.0° | 78.7° |
| N6 | C7 | C9 | C10 | 7.9° | 180.0° |
| N6 | C7 | C9 | N8 | 177.0° | 179.6° |
| N6 | C7 | C9 | N13 | 172.1° | 0.5° |
| N6 | C7 | N8 | C3 | 2.8° | 0.5° |
| C11 | C10 | C9 | H5 | 180.0° | 180.0° |
| C10 | C11 | N12 | H4 | 180.0° | 179.7° |
| C11 | C10 | C9 | C7 | 179.6° | 179.8° |
| C11 | C10 | C9 | N13 | 0.3° | 0.2° |
| C10 | C11 | N12 | N13 | 1.4° | 0.3° |
| C9 | C10 | C11 | N12 | 1.1° | 0.0° |
| C10 | C9 | C7 | N13 | 179.9° | 179.5° |
| C10 | C9 | C7 | N8 | 169.0° | 0.4° |
| C10 | C9 | N13 | N12 | 0.5° | 0.4° |
| C10 | C9 | N13 | C14 | 179.4° | 180.0° |
| C9 | C10 | C11 | H4 | 178.9° | 179.7° |
| C11 | N12 | N13 | C9 | 1.2° | 0.4° |
| C11 | N12 | N13 | C14 | 179.9° | 180.0° |
| N12 | C11 | C10 | H5 | 178.9° | 180.0° |
| C4 | C26 | O27 | H15 | 119.6° | 119.1° |
| C4 | C26 | O27 | H16 | 119.6° | 119.1° |
| C26 | C4 | C3 | N8 | 179.3° | 180.0° |
| C26 | C4 | C3 | C2 | 0.2° | 0.0° |
| C4 | C26 | O27 | C2 | 15.4° | 28.2° |
| C4 | C26 | H15 | H16 | 121.2° | 121.7° |
| C4 | C3 | N8 | C7 | 0.8° | 0.1° |
| C3 | C4 | C26 | O27 | 9.3° | 17.5° |
| C4 | C3 | N8 | C2 | 178.8° | 179.9° |
| C4 | C3 | C2 | O27 | 9.6° | 17.6° |
| C4 | C3 | C2 | C1 | 110.9° | 101.6° |
| C4 | C3 | C2 | C28 | 127.6° | 136.8° |
| C3 | C4 | C26 | H15 | 128.9° | 136.7° |
| C3 | C4 | C26 | H16 | 110.3° | 101.6° |
| C7 | C9 | N13 | N12 | 179.5° | 180.0° |
| C9 | C7 | N8 | C3 | 179.7° | 180.0° |
| C7 | C9 | N13 | C14 | 0.7° | 0.4° |
| C7 | C9 | C10 | H5 | 0.3° | 0.1° |
| N8 | C7 | C9 | N13 | 10.9° | 180.0° |
| C7 | N8 | C3 | C2 | 178.0° | 179.8° |
| C26 | O27 | C2 | C3 | 15.4° | 28.2° |
| C26 | O27 | C2 | C1 | 103.2° | 91.0° |
| C26 | O27 | C2 | C28 | 134.7° | 147.4° |
| O27 | C26 | H15 | H16 | 121.2° | 121.7° |
| C9 | N13 | N12 | C14 | 178.9° | 179.6° |
| C9 | N13 | C14 | H1 | 178.7° | 90.0° |
| C9 | N13 | C14 | H2 | 61.3° | 150.0° |
| C9 | N13 | C14 | H3 | 58.7° | 30.1° |
| N13 | C9 | C10 | H5 | 179.7° | 179.7° |
| N12 | N13 | C14 | H1 | 0.0° | 89.5° |
| N12 | N13 | C14 | H2 | 120.0° | 30.5° |
| N12 | N13 | C14 | H3 | 120.0° | 150.4° |
| N13 | N12 | C11 | H4 | 178.5° | 180.0° |
| N8 | C3 | C2 | O27 | 171.5° | 162.5° |
| N8 | C3 | C2 | C1 | 68.0° | 78.4° |
| N8 | C3 | C2 | C28 | 53.5° | 43.3° |
| C3 | C2 | O27 | C1 | 118.6° | 119.2° |
| C3 | C2 | O27 | C28 | 119.3° | 119.2° |
| C3 | C2 | C1 | C28 | 121.8° | 121.7° |
| C3 | C2 | C1 | H6 | 180.0° | 59.9° |
| C3 | C2 | C1 | H7 | 60.0° | 180.0° |
| C3 | C2 | C1 | H8 | 60.0° | 60.0° |
| C3 | C2 | C28 | H17 | 180.0° | 60.0° |
| C3 | C2 | C28 | H18 | 60.0° | 180.0° |
| C3 | C2 | C28 | H19 | 60.0° | 60.0° |
| N13 | C14 | H1 | H2 | 120.0° | 120.0° |
| N13 | C14 | H1 | H3 | 120.0° | 120.0° |
| N13 | C14 | H2 | H3 | 120.0° | 120.0° |
| O27 | C2 | C1 | C28 | 121.3° | 121.7° |
| O27 | C2 | C1 | H6 | 63.1° | 176.6° |
| O27 | C2 | C1 | H7 | 56.9° | 63.4° |
| O27 | C2 | C1 | H8 | 176.9° | 56.6° |
| C2 | O27 | C26 | H15 | 135.0° | 147.3° |
| C2 | O27 | C26 | H16 | 104.2° | 91.0° |
| O27 | C2 | C28 | H17 | 63.7° | 56.7° |
| O27 | C2 | C28 | H18 | 176.3° | 63.4° |
| O27 | C2 | C28 | H19 | 56.3° | 176.6° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C1 | C2 | C28 | H17 | 59.4° | 178.4° |
| C1 | C2 | C28 | H18 | 60.7° | 58.3° |
| C1 | C2 | C28 | H19 | 179.3° | 61.7° |
| C28 | C2 | C1 | H6 | 58.2° | 61.7° |
| C28 | C2 | C1 | H7 | 178.3° | 58.3° |
| C28 | C2 | C1 | H8 | 61.7° | 178.3° |
| C2 | C28 | H17 | H18 | 120.0° | 120.1° |
| C2 | C28 | H17 | H19 | 120.0° | 119.9° |
| C2 | C28 | H18 | H19 | 120.0° | 120.0° |
| H1 | C14 | H2 | H3 | 120.0° | 120.0° |
| H4 | C11 | C10 | H5 | 1.1° | 0.3° |
| H6 | C1 | H7 | H8 | 120.0° | 119.9° |
| H10 | C18 | C19 | H11 | 2.3° | 0.1° |
| H11 | C19 | C20 | H12 | 1.3° | 0.1° |
| H12 | C20 | C21 | H13 | 0.5° | 0.0° |
| H17 | C28 | H18 | H19 | 120.0° | 120.0° |
