A1H5X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N26 | C25 | sing | 1.47Å | 1.48Å | |
| C25 | C23 | sing | 1.53Å | 1.52Å | |
| O24 | C23 | sing | 1.43Å | 1.43Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | O21 | sing | 1.43Å | 1.43Å | |
| O5 | C4 | sing | 1.43Å | 1.43Å | |
| O21 | C20 | sing | 1.43Å | 1.40Å | |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| C6 | O7 | sing | 1.43Å | 1.42Å | |
| C6 | C4 | sing | 1.53Å | 1.52Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | O27 | sing | 1.43Å | 1.44Å | |
| C20 | C8 | sing | 1.53Å | 1.53Å | |
| C20 | O27 | sing | 1.43Å | 1.42Å | |
| C8 | N9 | sing | 1.46Å | 1.47Å | |
| N9 | N10 | sing | 1.29Å | 1.35Å | Aromatic |
| N9 | C19 | sing | 1.35Å | 1.35Å | Aromatic |
| N10 | N11 | doub | 1.29Å | 1.31Å | Aromatic |
| C19 | C12 | doub | 1.36Å | 1.37Å | Aromatic |
| N11 | C12 | sing | 1.35Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.47Å | |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| N26 | H26A | sing | 1.01Å | 1.00Å | |
| N26 | H26B | sing | 1.01Å | 1.00Å | |
| O24 | H24 | sing | 0.97Å | 0.95Å | |
| O5 | H5 | sing | 0.97Å | 0.95Å | |
| O7 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N26 | C25 | C23 | 109.9° | 109.5° |
| N26 | C25 | H25A | 109.3° | 109.5° |
| N26 | C25 | H25B | 109.3° | 109.4° |
| C25 | N26 | H26A | 109.5° | 111.0° |
| C25 | N26 | H26B | 109.5° | 111.1° |
| C25 | C23 | O24 | 108.7° | 109.4° |
| C25 | C23 | C22 | 110.9° | 109.5° |
| C25 | C23 | H23 | 108.6° | 109.5° |
| C23 | C25 | H25A | 109.4° | 109.5° |
| C23 | C25 | H25B | 109.4° | 109.5° |
| O24 | C23 | C22 | 110.1° | 109.5° |
| O24 | C23 | H23 | 109.8° | 109.5° |
| C23 | O24 | H24 | 109.5° | 114.0° |
| C23 | C22 | O21 | 109.3° | 109.5° |
| C23 | C22 | H22B | 109.5° | 109.5° |
| C23 | C22 | H22A | 109.5° | 109.4° |
| C22 | C23 | H23 | 108.7° | 109.5° |
| C22 | O21 | C20 | 117.2° | 114.0° |
| O21 | C22 | H22B | 109.5° | 109.5° |
| O21 | C22 | H22A | 109.5° | 109.5° |
| O5 | C4 | C6 | 108.4° | 109.6° |
| O5 | C4 | C3 | 109.7° | 109.5° |
| O5 | C4 | H4 | 110.1° | 109.5° |
| C4 | O5 | H5 | 109.5° | 114.1° |
| O21 | C20 | C8 | 111.0° | 109.5° |
| O21 | C20 | O27 | 111.9° | 109.5° |
| O21 | C20 | H20 | 108.4° | 109.5° |
| O1 | C2 | C3 | 112.2° | 109.4° |
| O1 | C2 | H2B | 108.8° | 109.5° |
| O1 | C2 | H2A | 108.8° | 109.5° |
| C2 | O1 | H1 | 109.5° | 114.0° |
| O7 | C6 | C4 | 111.2° | 109.6° |
| O7 | C6 | C8 | 109.0° | 109.6° |
| O7 | C6 | H6 | 109.2° | 109.5° |
| C6 | O7 | H7 | 109.5° | 114.0° |
| C4 | C6 | C8 | 111.5° | 109.0° |
| C6 | C4 | C3 | 111.1° | 109.2° |
| C6 | C4 | H4 | 108.8° | 109.5° |
| C4 | C6 | H6 | 108.0° | 109.5° |
| C6 | C8 | C20 | 109.2° | 109.2° |
| C6 | C8 | N9 | 112.5° | 109.5° |
| C8 | C6 | H6 | 107.9° | 109.6° |
| C6 | C8 | H8 | 106.8° | 109.5° |
| C4 | C3 | C2 | 113.9° | 109.5° |
| C4 | C3 | O27 | 111.7° | 109.4° |
| C4 | C3 | H3 | 108.2° | 109.5° |
| C3 | C4 | H4 | 108.7° | 109.5° |
| C2 | C3 | O27 | 105.1° | 109.5° |
| C3 | C2 | H2B | 108.8° | 109.4° |
| C3 | C2 | H2A | 108.8° | 109.5° |
| C2 | C3 | H3 | 108.4° | 109.5° |
| C3 | O27 | C20 | 116.3° | 114.1° |
| O27 | C3 | H3 | 109.4° | 109.5° |
| C8 | C20 | O27 | 110.4° | 109.4° |
| C20 | C8 | N9 | 113.6° | 109.6° |
| C20 | C8 | H8 | 106.9° | 109.6° |
| C8 | C20 | H20 | 106.8° | 109.4° |
| O27 | C20 | H20 | 108.2° | 109.5° |
| C8 | N9 | N10 | 120.5° | 125.8° |
| C8 | N9 | C19 | 129.0° | 125.8° |
| N9 | C8 | H8 | 107.5° | 109.5° |
| N10 | N9 | C19 | 110.5° | 108.5° |
| N9 | N10 | N11 | 107.1° | 110.5° |
| N9 | C19 | C12 | 105.4° | 106.1° |
| N9 | C19 | H19 | 127.3° | 126.9° |
| N10 | N11 | C12 | 109.1° | 108.8° |
| C19 | C12 | N11 | 107.8° | 106.2° |
| C19 | C12 | C13 | 130.2° | 126.9° |
| C12 | C19 | H19 | 127.3° | 127.0° |
| N11 | C12 | C13 | 122.0° | 126.9° |
| C12 | C13 | C14 | 120.4° | 120.1° |
| C12 | C13 | C18 | 120.8° | 120.1° |
| C14 | C13 | C18 | 118.8° | 119.8° |
| C13 | C14 | C15 | 120.5° | 119.9° |
| C13 | C14 | H14 | 119.8° | 120.0° |
| C13 | C18 | C17 | 120.3° | 119.9° |
| C13 | C18 | H18 | 119.8° | 120.1° |
| C14 | C15 | C16 | 120.0° | 120.1° |
| C15 | C14 | H14 | 119.7° | 120.1° |
| C14 | C15 | H15 | 120.0° | 120.0° |
| C18 | C17 | C16 | 120.4° | 120.1° |
| C18 | C17 | H17 | 119.8° | 120.0° |
| C17 | C18 | H18 | 119.9° | 120.0° |
| C15 | C16 | C17 | 120.0° | 120.2° |
| C16 | C15 | H15 | 120.0° | 119.9° |
| C15 | C16 | H16 | 120.0° | 119.9° |
| C17 | C16 | H16 | 120.0° | 119.9° |
| C16 | C17 | H17 | 119.8° | 119.9° |
| H2B | C2 | H2A | 109.5° | 109.5° |
| H22B | C22 | H22A | 109.5° | 109.5° |
| H25A | C25 | H25B | 109.5° | 109.4° |
| H26A | N26 | H26B | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N26 | C25 | C23 | H25A | 120.0° | 120.1° |
| N26 | C25 | C23 | H25B | 120.1° | 120.0° |
| N26 | C25 | C23 | O24 | 80.8° | 60.0° |
| N26 | C25 | C23 | C22 | 157.9° | 180.0° |
| N26 | C25 | C23 | H23 | 38.6° | 60.0° |
| N26 | C25 | H25A | H25B | 119.8° | 119.9° |
| C25 | N26 | H26A | H26B | 120.0° | 124.0° |
| C25 | C23 | O24 | C22 | 121.7° | 120.0° |
| C25 | C23 | O24 | H23 | 118.7° | 120.0° |
| C25 | C23 | C22 | H23 | 119.3° | 120.0° |
| C25 | C23 | C22 | O21 | 82.7° | 175.0° |
| C25 | C23 | C22 | H22B | 157.3° | 55.0° |
| C25 | C23 | C22 | H22A | 37.2° | 65.0° |
| C23 | C25 | H25A | H25B | 119.8° | 120.0° |
| C23 | C25 | N26 | H26A | 180.0° | 56.0° |
| C23 | C25 | N26 | H26B | 60.0° | 180.0° |
| C25 | C23 | O24 | H24 | 180.0° | 60.0° |
| O24 | C23 | C22 | H23 | 120.3° | 120.0° |
| O24 | C23 | C22 | O21 | 37.6° | 65.0° |
| O24 | C23 | C22 | H22B | 82.3° | 175.0° |
| O24 | C23 | C22 | H22A | 157.6° | 55.0° |
| O24 | C23 | C25 | H25A | 159.1° | 60.0° |
| O24 | C23 | C25 | H25B | 39.2° | 180.0° |
| C23 | C22 | O21 | H22B | 119.9° | 120.0° |
| C23 | C22 | O21 | H22A | 120.0° | 120.0° |
| C23 | C22 | O21 | C20 | 166.1° | 180.0° |
| C23 | C22 | H22B | H22A | 120.0° | 120.0° |
| C22 | C23 | C25 | H25A | 37.9° | 60.0° |
| C22 | C23 | C25 | H25B | 82.0° | 60.0° |
| C22 | C23 | O24 | H24 | 58.3° | 60.0° |
| C22 | O21 | C20 | C8 | 177.9° | 170.0° |
| C22 | O21 | C20 | O27 | 54.1° | 70.1° |
| C22 | O21 | C20 | H20 | 65.1° | 50.0° |
| O21 | C22 | H22B | H22A | 120.1° | 120.0° |
| O21 | C22 | C23 | H23 | 157.9° | 55.0° |
| O5 | C4 | C6 | O7 | 66.3° | 63.2° |
| O5 | C4 | C6 | C3 | 120.6° | 120.0° |
| O5 | C4 | C6 | H4 | 119.8° | 120.1° |
| O5 | C4 | C6 | C8 | 171.8° | 176.9° |
| O5 | C4 | C3 | H4 | 120.5° | 120.0° |
| O5 | C4 | C3 | C2 | 72.7° | 62.4° |
| O5 | C4 | C3 | O27 | 168.5° | 177.6° |
| O5 | C4 | C3 | H3 | 48.0° | 57.6° |
| O5 | C4 | C6 | H6 | 53.5° | 57.0° |
| O21 | C20 | C8 | C6 | 67.9° | 62.4° |
| O21 | C20 | O27 | C3 | 65.8° | 58.8° |
| O21 | C20 | C8 | O27 | 124.7° | 120.0° |
| O21 | C20 | C8 | H20 | 118.0° | 120.0° |
| O21 | C20 | O27 | H20 | 119.4° | 120.1° |
| O21 | C20 | C8 | N9 | 165.7° | 177.7° |
| O21 | C20 | C8 | H8 | 47.3° | 57.6° |
| C20 | O21 | C22 | H22B | 74.0° | 60.0° |
| C20 | O21 | C22 | H22A | 46.1° | 60.1° |
| O1 | C2 | C3 | C4 | 138.9° | 175.0° |
| O1 | C2 | C3 | H2B | 120.4° | 119.9° |
| O1 | C2 | C3 | H2A | 120.4° | 120.0° |
| O1 | C2 | C3 | O27 | 98.6° | 65.1° |
| O1 | C2 | H2B | H2A | 118.8° | 120.0° |
| O1 | C2 | C3 | H3 | 18.4° | 54.9° |
| O7 | C6 | C4 | C8 | 121.9° | 119.9° |
| O7 | C6 | C4 | H6 | 119.8° | 120.2° |
| O7 | C6 | C8 | H6 | 118.5° | 120.2° |
| O7 | C6 | C4 | C3 | 173.1° | 176.9° |
| O7 | C6 | C8 | C20 | 178.0° | 176.9° |
| O7 | C6 | C8 | N9 | 51.0° | 56.9° |
| O7 | C6 | C4 | H4 | 53.5° | 56.9° |
| O7 | C6 | C8 | H8 | 66.7° | 63.2° |
| C4 | C6 | C8 | H6 | 118.4° | 119.8° |
| C6 | C4 | C3 | H4 | 119.7° | 119.9° |
| C6 | C4 | C3 | C2 | 167.5° | 177.5° |
| C6 | C4 | C3 | O27 | 48.7° | 57.6° |
| C4 | C6 | C8 | C20 | 54.9° | 57.0° |
| C4 | C6 | C8 | N9 | 72.1° | 63.0° |
| C6 | C4 | C3 | H3 | 71.8° | 62.4° |
| C4 | C6 | C8 | H8 | 170.2° | 176.9° |
| C6 | C4 | O5 | H5 | 180.0° | 179.7° |
| C4 | C6 | O7 | H7 | 180.0° | 60.0° |
| C8 | C6 | C4 | C3 | 51.2° | 57.0° |
| C6 | C8 | C20 | N9 | 126.4° | 119.9° |
| C6 | C8 | C20 | H8 | 115.2° | 119.9° |
| C6 | C8 | C20 | O27 | 56.8° | 57.6° |
| C6 | C8 | N9 | H8 | 117.3° | 120.1° |
| C6 | C8 | N9 | N10 | 102.4° | 94.9° |
| C6 | C8 | N9 | C19 | 77.9° | 85.0° |
| C8 | C6 | C4 | H4 | 68.4° | 63.0° |
| C6 | C8 | C20 | H20 | 174.2° | 177.6° |
| C8 | C6 | O7 | H7 | 56.7° | 179.6° |
| C4 | C3 | C2 | O27 | 122.5° | 119.9° |
| C4 | C3 | C2 | H3 | 120.5° | 120.1° |
| C4 | C3 | O27 | H3 | 119.8° | 120.0° |
| C4 | C3 | O27 | C20 | 54.0° | 61.2° |
| C4 | C3 | C2 | H2B | 100.7° | 55.1° |
| C4 | C3 | C2 | H2A | 18.5° | 65.0° |
| C3 | C4 | C6 | H6 | 67.2° | 63.0° |
| C3 | C4 | O5 | H5 | 58.5° | 59.9° |
| C2 | C3 | O27 | H3 | 116.2° | 120.0° |
| C2 | C3 | O27 | C20 | 178.0° | 178.9° |
| C3 | C2 | H2B | H2A | 118.8° | 120.0° |
| C2 | C3 | C4 | H4 | 47.8° | 57.6° |
| C3 | C2 | O1 | H1 | 180.0° | 180.0° |
| C3 | O27 | C20 | C8 | 58.3° | 61.2° |
| O27 | C3 | C2 | H2B | 21.8° | 175.0° |
| O27 | C3 | C2 | H2A | 141.0° | 54.9° |
| O27 | C3 | C4 | H4 | 71.0° | 62.3° |
| C3 | O27 | C20 | H20 | 174.8° | 178.9° |
| C8 | C20 | O27 | H20 | 116.5° | 119.9° |
| C20 | C8 | N9 | H8 | 118.0° | 120.2° |
| C20 | C8 | N9 | N10 | 132.9° | 145.3° |
| C20 | C8 | N9 | C19 | 46.8° | 34.7° |
| C20 | C8 | C6 | H6 | 63.5° | 62.9° |
| O27 | C20 | C8 | N9 | 69.6° | 62.3° |
| C20 | O27 | C3 | H3 | 65.8° | 58.8° |
| O27 | C20 | C8 | H8 | 172.0° | 177.6° |
| C8 | N9 | N10 | C19 | 179.8° | 180.0° |
| C8 | N9 | N10 | N11 | 179.9° | 179.9° |
| C8 | N9 | C19 | C12 | 180.0° | 179.8° |
| N9 | C8 | C6 | H6 | 169.5° | 177.2° |
| C8 | N9 | C19 | H19 | 0.0° | 0.2° |
| N9 | C8 | C20 | H20 | 47.7° | 57.7° |
| N10 | N9 | C19 | C12 | 0.3° | 0.2° |
| N9 | N10 | N11 | C12 | 0.1° | 0.2° |
| N10 | N9 | C8 | H8 | 14.9° | 25.2° |
| N10 | N9 | C19 | H19 | 179.7° | 179.9° |
| C19 | N9 | N10 | N11 | 0.1° | 0.0° |
| N9 | C19 | C12 | H19 | 180.0° | 179.9° |
| N9 | C19 | C12 | N11 | 0.3° | 0.3° |
| N9 | C19 | C12 | C13 | 179.5° | 180.0° |
| C19 | N9 | C8 | H8 | 164.8° | 154.9° |
| N10 | N11 | C12 | C19 | 0.2° | 0.3° |
| N10 | N11 | C12 | C13 | 179.5° | 180.0° |
| C19 | C12 | N11 | C13 | 179.2° | 179.7° |
| C19 | C12 | C13 | C14 | 38.1° | 180.0° |
| C19 | C12 | C13 | C18 | 142.7° | 0.2° |
| N11 | C12 | C13 | C14 | 141.0° | 0.4° |
| N11 | C12 | C13 | C18 | 38.3° | 179.4° |
| N11 | C12 | C19 | H19 | 179.7° | 179.8° |
| C12 | C13 | C14 | C18 | 179.3° | 179.8° |
| C12 | C13 | C14 | C15 | 179.6° | 180.0° |
| C12 | C13 | C18 | C17 | 179.7° | 179.7° |
| C12 | C13 | C14 | H14 | 0.4° | 0.1° |
| C12 | C13 | C18 | H18 | 0.3° | 0.1° |
| C13 | C12 | C19 | H19 | 0.5° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C14 | C13 | C18 | C17 | 0.4° | 0.5° |
| C13 | C14 | C15 | C16 | 0.0° | 0.1° |
| C13 | C14 | C15 | H15 | 180.0° | 180.0° |
| C14 | C13 | C18 | H18 | 179.6° | 179.7° |
| C18 | C13 | C14 | C15 | 0.3° | 0.2° |
| C13 | C18 | C17 | H18 | 180.0° | 179.7° |
| C13 | C18 | C17 | C16 | 0.3° | 0.6° |
| C18 | C13 | C14 | H14 | 179.7° | 179.7° |
| C13 | C18 | C17 | H17 | 179.7° | 179.8° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C18 | C17 | C16 | C15 | 0.0° | 0.3° |
| C18 | C17 | C16 | H17 | 180.0° | 179.7° |
| C18 | C17 | C16 | H16 | 180.0° | 179.7° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C16 | C15 | C14 | H14 | 180.0° | 180.0° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| C17 | C16 | C15 | H15 | 179.9° | 180.0° |
| C16 | C17 | C18 | H18 | 179.7° | 179.7° |
| H2B | C2 | C3 | H3 | 138.8° | 65.0° |
| H2B | C2 | O1 | H1 | 59.6° | 60.1° |
| H2A | C2 | C3 | H3 | 102.0° | 175.0° |
| H2A | C2 | O1 | H1 | 59.6° | 60.0° |
| H3 | C3 | C4 | H4 | 168.4° | 177.7° |
| H4 | C4 | C6 | H6 | 173.2° | 177.1° |
| H4 | C4 | O5 | H5 | 61.1° | 60.1° |
| H6 | C6 | C8 | H8 | 51.8° | 57.1° |
| H6 | C6 | O7 | H7 | 61.0° | 60.1° |
| H8 | C8 | C20 | H20 | 70.6° | 62.5° |
| H14 | C14 | C15 | H15 | 0.0° | 0.0° |
| H15 | C15 | C16 | H16 | 0.1° | 0.0° |
| H16 | C16 | C17 | H17 | 0.0° | 0.0° |
| H17 | C17 | C18 | H18 | 0.3° | 0.0° |
| H22B | C22 | C23 | H23 | 38.0° | 65.0° |
| H22A | C22 | C23 | H23 | 82.1° | 175.0° |
| H23 | C23 | C25 | H25A | 81.4° | 180.0° |
| H23 | C23 | C25 | H25B | 158.7° | 60.0° |
| H23 | C23 | O24 | H24 | 61.3° | 180.0° |
| H25A | C25 | N26 | H26A | 59.9° | 64.0° |
| H25A | C25 | N26 | H26B | 60.1° | 59.9° |
| H25B | C25 | N26 | H26A | 60.0° | 176.0° |
| H25B | C25 | N26 | H26B | 180.0° | 60.0° |
