A1IO8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | sing | 1.43Å | 1.41Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | N5 | sing | 1.47Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| N5 | C5 | sing | 1.47Å | 1.51Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| O6 | C6 | sing | 1.43Å | 1.42Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | C7 | sing | 1.53Å | 1.56Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | C14 | sing | 1.53Å | 1.50Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| O3 | H2 | sing | 0.97Å | 0.95Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| O4 | H7 | sing | 0.97Å | 0.95Å | |
| O6 | H8 | sing | 0.97Å | 0.95Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| N5 | H27 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | C1 | 107.0° | 109.5° |
| O2 | C2 | C3 | 111.0° | 109.5° |
| C2 | O2 | H1 | 109.5° | 114.0° |
| O2 | C2 | H5 | 110.2° | 109.5° |
| C2 | C1 | N5 | 106.1° | 109.5° |
| C1 | C2 | C3 | 111.5° | 109.3° |
| C2 | C1 | H3 | 110.3° | 109.4° |
| C2 | C1 | H4 | 110.3° | 109.4° |
| C1 | C2 | H5 | 108.8° | 109.5° |
| C1 | N5 | C5 | 119.0° | 111.2° |
| N5 | C1 | H3 | 110.3° | 109.5° |
| N5 | C1 | H4 | 110.3° | 109.5° |
| C1 | N5 | H27 | 107.0° | 111.0° |
| C2 | C3 | O3 | 111.5° | 109.6° |
| C2 | C3 | C4 | 111.7° | 109.2° |
| C3 | C2 | H5 | 108.3° | 109.5° |
| C2 | C3 | H6 | 108.4° | 109.5° |
| N5 | C5 | C4 | 103.5° | 109.5° |
| N5 | C5 | C6 | 108.3° | 109.5° |
| N5 | C5 | C7 | 115.7° | 109.5° |
| C5 | N5 | H27 | 107.0° | 111.0° |
| O3 | C3 | C4 | 106.3° | 109.5° |
| C3 | O3 | H2 | 109.5° | 114.0° |
| O3 | C3 | H6 | 110.2° | 109.5° |
| C3 | C4 | C5 | 110.0° | 109.3° |
| C3 | C4 | O4 | 109.5° | 109.5° |
| C4 | C3 | H6 | 108.8° | 109.6° |
| C3 | C4 | H9 | 108.2° | 109.5° |
| O6 | C6 | C5 | 106.5° | 109.5° |
| C6 | O6 | H8 | 109.5° | 114.0° |
| O6 | C6 | H10 | 110.2° | 109.4° |
| O6 | C6 | H11 | 110.2° | 109.5° |
| C4 | C5 | C6 | 112.2° | 109.5° |
| C4 | C5 | C7 | 110.2° | 109.5° |
| C5 | C4 | O4 | 111.4° | 109.5° |
| C5 | C4 | H9 | 108.2° | 109.5° |
| C6 | C5 | C7 | 107.0° | 109.5° |
| C5 | C6 | H10 | 110.2° | 109.5° |
| C5 | C6 | H11 | 110.2° | 109.5° |
| C5 | C7 | C8 | 112.0° | 109.5° |
| C5 | C7 | H12 | 108.8° | 109.5° |
| C5 | C7 | H13 | 108.8° | 109.5° |
| C8 | C9 | C14 | 114.9° | 109.5° |
| C8 | C9 | C10 | 110.3° | 109.4° |
| C9 | C8 | C7 | 119.7° | 109.5° |
| C9 | C8 | H14 | 106.9° | 109.5° |
| C9 | C8 | H15 | 106.8° | 109.5° |
| C8 | C9 | H16 | 108.2° | 109.5° |
| C14 | C9 | C10 | 106.5° | 109.5° |
| C9 | C14 | C13 | 108.6° | 109.5° |
| C14 | C9 | H16 | 108.6° | 109.5° |
| C9 | C14 | H25 | 109.7° | 109.5° |
| C9 | C14 | H26 | 109.7° | 109.5° |
| C9 | C10 | C11 | 116.2° | 109.5° |
| C10 | C9 | H16 | 108.2° | 109.5° |
| C9 | C10 | H17 | 107.7° | 109.5° |
| C9 | C10 | H18 | 107.7° | 109.5° |
| C8 | C7 | H12 | 108.8° | 109.5° |
| C8 | C7 | H13 | 108.8° | 109.5° |
| C7 | C8 | H14 | 106.8° | 109.5° |
| C7 | C8 | H15 | 106.8° | 109.4° |
| C4 | O4 | H7 | 109.5° | 114.0° |
| O4 | C4 | H9 | 109.5° | 109.5° |
| C14 | C13 | C12 | 112.4° | 109.5° |
| C14 | C13 | H23 | 108.8° | 109.5° |
| C14 | C13 | H24 | 108.7° | 109.5° |
| C13 | C14 | H25 | 109.7° | 109.5° |
| C13 | C14 | H26 | 109.7° | 109.4° |
| C13 | C12 | C11 | 113.8° | 109.5° |
| C13 | C12 | H21 | 108.4° | 109.5° |
| C13 | C12 | H22 | 108.4° | 109.5° |
| C12 | C13 | H23 | 108.7° | 109.5° |
| C12 | C13 | H24 | 108.7° | 109.4° |
| C10 | C11 | C12 | 116.9° | 109.5° |
| C11 | C10 | H17 | 107.8° | 109.5° |
| C11 | C10 | H18 | 107.7° | 109.5° |
| C10 | C11 | H19 | 107.6° | 109.5° |
| C10 | C11 | H20 | 107.6° | 109.5° |
| C12 | C11 | H19 | 107.6° | 109.4° |
| C12 | C11 | H20 | 107.6° | 109.4° |
| C11 | C12 | H21 | 108.4° | 109.4° |
| C11 | C12 | H22 | 108.4° | 109.5° |
| H3 | C1 | H4 | 109.4° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H12 | C7 | H13 | 109.5° | 109.5° |
| H14 | C8 | H15 | 109.5° | 109.5° |
| H17 | C10 | H18 | 109.5° | 109.5° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H21 | C12 | H22 | 109.5° | 109.5° |
| H23 | C13 | H24 | 109.4° | 109.4° |
| H25 | C14 | H26 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | C1 | C3 | 121.6° | 120.0° |
| O2 | C2 | C1 | H5 | 119.0° | 120.0° |
| O2 | C2 | C1 | N5 | 172.7° | 179.1° |
| O2 | C2 | C3 | H5 | 121.1° | 120.0° |
| O2 | C2 | C3 | O3 | 67.0° | 62.5° |
| O2 | C2 | C3 | C4 | 174.2° | 177.6° |
| O2 | C2 | C1 | H3 | 67.8° | 60.9° |
| O2 | C2 | C1 | H4 | 53.2° | 59.2° |
| O2 | C2 | C3 | H6 | 54.4° | 57.6° |
| C2 | C1 | N5 | H3 | 119.5° | 120.0° |
| C2 | C1 | N5 | H4 | 119.5° | 120.0° |
| C1 | C2 | C3 | H5 | 119.7° | 120.0° |
| C2 | C1 | N5 | C5 | 60.5° | 61.8° |
| C1 | C2 | C3 | O3 | 173.7° | 177.6° |
| C1 | C2 | C3 | C4 | 54.9° | 57.6° |
| C1 | C2 | O2 | H1 | 180.0° | 60.0° |
| C2 | C1 | H3 | H4 | 121.5° | 120.0° |
| C1 | C2 | C3 | H6 | 64.9° | 62.3° |
| C2 | C1 | N5 | H27 | 60.8° | 62.4° |
| N5 | C1 | C2 | C3 | 51.1° | 59.2° |
| C1 | N5 | C5 | H27 | 121.3° | 124.2° |
| C1 | N5 | C5 | C4 | 63.8° | 61.8° |
| C1 | N5 | C5 | C6 | 176.9° | 178.2° |
| C1 | N5 | C5 | C7 | 56.9° | 58.2° |
| N5 | C1 | H3 | H4 | 121.5° | 120.0° |
| N5 | C1 | C2 | H5 | 68.2° | 60.8° |
| C2 | C3 | O3 | C4 | 121.9° | 119.7° |
| C2 | C3 | O3 | H6 | 120.4° | 120.1° |
| C2 | C3 | C4 | H6 | 119.5° | 119.9° |
| C2 | C3 | C4 | C5 | 59.0° | 57.6° |
| C2 | C3 | C4 | O4 | 178.3° | 177.5° |
| C3 | C2 | O2 | H1 | 58.1° | 179.9° |
| C2 | C3 | O3 | H2 | 180.0° | 59.9° |
| C3 | C2 | C1 | H3 | 170.6° | 179.2° |
| C3 | C2 | C1 | H4 | 68.4° | 60.8° |
| C2 | C3 | C4 | H9 | 59.0° | 62.3° |
| N5 | C5 | C4 | C3 | 58.3° | 59.2° |
| N5 | C5 | C6 | O6 | 57.5° | 53.4° |
| N5 | C5 | C4 | C6 | 116.6° | 120.0° |
| N5 | C5 | C4 | C7 | 124.4° | 120.0° |
| N5 | C5 | C6 | C7 | 125.4° | 120.0° |
| N5 | C5 | C7 | C8 | 61.8° | 54.2° |
| N5 | C5 | C4 | O4 | 179.9° | 179.1° |
| C5 | N5 | C1 | H3 | 180.0° | 178.3° |
| C5 | N5 | C1 | H4 | 59.0° | 58.2° |
| N5 | C5 | C4 | H9 | 59.7° | 60.8° |
| N5 | C5 | C6 | H10 | 177.0° | 66.6° |
| N5 | C5 | C6 | H11 | 62.0° | 173.4° |
| N5 | C5 | C7 | H12 | 58.6° | 65.8° |
| N5 | C5 | C7 | H13 | 177.8° | 174.2° |
| O3 | C3 | C4 | H6 | 118.7° | 120.1° |
| O3 | C3 | C4 | C5 | 179.2° | 177.6° |
| O3 | C3 | C4 | O4 | 56.5° | 62.5° |
| O3 | C3 | C2 | H5 | 54.0° | 57.6° |
| O3 | C3 | C4 | H9 | 62.8° | 57.6° |
| C3 | C4 | C5 | O4 | 121.6° | 120.0° |
| C3 | C4 | C5 | H9 | 118.0° | 120.0° |
| C3 | C4 | C5 | C6 | 174.9° | 179.2° |
| C3 | C4 | C5 | C7 | 66.1° | 60.8° |
| C3 | C4 | O4 | H9 | 118.5° | 120.1° |
| C4 | C3 | O3 | H2 | 58.1° | 179.6° |
| C4 | C3 | C2 | H5 | 64.8° | 62.4° |
| C3 | C4 | O4 | H7 | 180.0° | 60.0° |
| O6 | C6 | C5 | C4 | 56.1° | 173.5° |
| O6 | C6 | C5 | H10 | 119.5° | 120.0° |
| O6 | C6 | C5 | H11 | 119.5° | 120.0° |
| O6 | C6 | C5 | C7 | 177.1° | 66.6° |
| O6 | C6 | H10 | H11 | 121.4° | 120.0° |
| C4 | C5 | C6 | C7 | 121.0° | 120.0° |
| C4 | C5 | C7 | C8 | 178.8° | 174.2° |
| C5 | C4 | O4 | H9 | 119.6° | 120.1° |
| C5 | C4 | C3 | H6 | 60.6° | 62.3° |
| C5 | C4 | O4 | H7 | 58.1° | 179.8° |
| C4 | C5 | C6 | H10 | 63.4° | 53.5° |
| C4 | C5 | C6 | H11 | 175.7° | 66.6° |
| C4 | C5 | C7 | H12 | 58.4° | 54.2° |
| C4 | C5 | C7 | H13 | 60.8° | 65.8° |
| C4 | C5 | N5 | H27 | 57.5° | 62.4° |
| C6 | C5 | C7 | C8 | 59.0° | 65.8° |
| C6 | C5 | C4 | O4 | 63.5° | 60.8° |
| C5 | C6 | O6 | H8 | 180.0° | 180.0° |
| C6 | C5 | C4 | H9 | 56.9° | 59.2° |
| C5 | C6 | H10 | H11 | 121.4° | 120.0° |
| C6 | C5 | C7 | H12 | 179.4° | 174.2° |
| C6 | C5 | C7 | H13 | 61.4° | 54.2° |
| C6 | C5 | N5 | H27 | 61.8° | 57.6° |
| C5 | C7 | C8 | C9 | 151.7° | 174.5° |
| C5 | C7 | C8 | H12 | 120.4° | 120.0° |
| C5 | C7 | C8 | H13 | 120.4° | 120.0° |
| C7 | C5 | C4 | O4 | 55.6° | 59.1° |
| C7 | C5 | C4 | H9 | 176.0° | 179.2° |
| C7 | C5 | C6 | H10 | 57.6° | 173.4° |
| C7 | C5 | C6 | H11 | 63.4° | 53.4° |
| C5 | C7 | H12 | H13 | 118.8° | 120.0° |
| C5 | C7 | C8 | H14 | 30.2° | 65.5° |
| C5 | C7 | C8 | H15 | 86.9° | 54.5° |
| C7 | C5 | N5 | H27 | 178.2° | 177.6° |
| C8 | C9 | C14 | C10 | 122.4° | 120.0° |
| C8 | C9 | C14 | H16 | 121.3° | 120.0° |
| C8 | C9 | C10 | H16 | 118.2° | 120.0° |
| C9 | C8 | C7 | H14 | 121.4° | 120.0° |
| C9 | C8 | C7 | H15 | 121.4° | 120.0° |
| C8 | C9 | C14 | C13 | 170.8° | 180.0° |
| C8 | C9 | C10 | C11 | 178.3° | 180.0° |
| C9 | C8 | C7 | H12 | 31.3° | 54.5° |
| C9 | C8 | C7 | H13 | 88.0° | 65.5° |
| C9 | C8 | H14 | H15 | 115.4° | 120.0° |
| C8 | C9 | C10 | H17 | 57.3° | 60.0° |
| C8 | C9 | C10 | H18 | 60.8° | 60.0° |
| C8 | C9 | C14 | H25 | 51.0° | 60.0° |
| C8 | C9 | C14 | H26 | 69.3° | 60.0° |
| C14 | C9 | C10 | H16 | 116.6° | 120.0° |
| C14 | C9 | C8 | C7 | 12.5° | 175.0° |
| C9 | C14 | C13 | H25 | 119.9° | 120.1° |
| C9 | C14 | C13 | H26 | 119.9° | 120.0° |
| C9 | C14 | C13 | C12 | 64.3° | 60.0° |
| C14 | C9 | C10 | C11 | 53.0° | 60.0° |
| C14 | C9 | C8 | H14 | 134.0° | 55.0° |
| C14 | C9 | C8 | H15 | 108.9° | 65.0° |
| C14 | C9 | C10 | H17 | 68.0° | 60.0° |
| C14 | C9 | C10 | H18 | 173.9° | 180.0° |
| C9 | C14 | C13 | H23 | 56.2° | 180.0° |
| C9 | C14 | C13 | H24 | 175.3° | 60.0° |
| C9 | C14 | H25 | H26 | 120.4° | 120.0° |
| C10 | C9 | C8 | C7 | 132.9° | 65.0° |
| C10 | C9 | C14 | C13 | 66.8° | 60.0° |
| C9 | C10 | C11 | H17 | 121.0° | 120.0° |
| C9 | C10 | C11 | H18 | 121.0° | 120.0° |
| C9 | C10 | C11 | C12 | 34.2° | 60.0° |
| C10 | C9 | C8 | H14 | 105.7° | 175.0° |
| C10 | C9 | C8 | H15 | 11.4° | 55.0° |
| C9 | C10 | H17 | H18 | 116.9° | 120.0° |
| C9 | C10 | C11 | H19 | 155.3° | 180.0° |
| C9 | C10 | C11 | H20 | 86.9° | 60.0° |
| C10 | C9 | C14 | H25 | 173.4° | 179.9° |
| C10 | C9 | C14 | H26 | 53.1° | 60.0° |
| C8 | C7 | H12 | H13 | 118.9° | 120.0° |
| C7 | C8 | H14 | H15 | 115.4° | 120.0° |
| C7 | C8 | C9 | H16 | 109.0° | 55.0° |
| O4 | C4 | C3 | H6 | 62.1° | 57.6° |
| C14 | C13 | C12 | H23 | 120.5° | 120.0° |
| C14 | C13 | C12 | H24 | 120.4° | 120.0° |
| C14 | C13 | C12 | C11 | 42.5° | 60.0° |
| C13 | C14 | C9 | H16 | 49.5° | 60.0° |
| C14 | C13 | C12 | H21 | 163.2° | 60.0° |
| C14 | C13 | C12 | H22 | 78.1° | 180.0° |
| C14 | C13 | H23 | H24 | 118.6° | 120.0° |
| C13 | C14 | H25 | H26 | 120.4° | 119.9° |
| C13 | C12 | C11 | C10 | 27.9° | 60.0° |
| C13 | C12 | C11 | H21 | 120.6° | 120.0° |
| C13 | C12 | C11 | H22 | 120.6° | 120.0° |
| C13 | C12 | C11 | H19 | 149.0° | 180.0° |
| C13 | C12 | C11 | H20 | 93.2° | 60.0° |
| C13 | C12 | H21 | H22 | 118.0° | 120.0° |
| C12 | C13 | H23 | H24 | 118.7° | 119.9° |
| C12 | C13 | C14 | H25 | 175.9° | 180.0° |
| C12 | C13 | C14 | H26 | 55.6° | 60.0° |
| C10 | C11 | C12 | H19 | 121.1° | 120.0° |
| C10 | C11 | C12 | H20 | 121.1° | 120.0° |
| C11 | C10 | C9 | H16 | 63.6° | 60.0° |
| C11 | C10 | H17 | H18 | 116.9° | 120.0° |
| C10 | C11 | H19 | H20 | 116.6° | 120.1° |
| C10 | C11 | C12 | H21 | 148.5° | 60.0° |
| C10 | C11 | C12 | H22 | 92.8° | 180.0° |
| C12 | C11 | C10 | H17 | 86.7° | 60.0° |
| C12 | C11 | C10 | H18 | 155.2° | 180.0° |
| C12 | C11 | H19 | H20 | 116.6° | 119.9° |
| C11 | C12 | H21 | H22 | 118.1° | 120.0° |
| C11 | C12 | C13 | H23 | 77.9° | 180.0° |
| C11 | C12 | C13 | H24 | 163.0° | 60.1° |
| H1 | O2 | C2 | H5 | 61.8° | 60.1° |
| H2 | O3 | C3 | H6 | 59.6° | 60.2° |
| H3 | C1 | C2 | H5 | 51.2° | 59.2° |
| H3 | C1 | N5 | H27 | 58.6° | 57.6° |
| H4 | C1 | C2 | H5 | 172.3° | 179.2° |
| H4 | C1 | N5 | H27 | 179.6° | 177.7° |
| H5 | C2 | C3 | H6 | 175.5° | 177.7° |
| H6 | C3 | C4 | H9 | 178.5° | 177.7° |
| H7 | O4 | C4 | H9 | 61.5° | 60.1° |
| H8 | O6 | C6 | H10 | 60.5° | 60.0° |
| H8 | O6 | C6 | H11 | 60.5° | 60.0° |
| H12 | C7 | C8 | H14 | 90.1° | 174.5° |
| H12 | C7 | C8 | H15 | 152.7° | 65.5° |
| H13 | C7 | C8 | H14 | 150.6° | 54.5° |
| H13 | C7 | C8 | H15 | 33.5° | 174.5° |
| H14 | C8 | C9 | H16 | 12.4° | 65.0° |
| H15 | C8 | C9 | H16 | 129.6° | 175.0° |
| H16 | C9 | C10 | H17 | 175.4° | 180.0° |
| H16 | C9 | C10 | H18 | 57.4° | 60.0° |
| H16 | C9 | C14 | H25 | 70.3° | 60.0° |
| H16 | C9 | C14 | H26 | 169.4° | NaN° |
| H17 | C10 | C11 | H19 | 34.3° | 60.0° |
| H17 | C10 | C11 | H20 | 152.2° | 180.0° |
| H18 | C10 | C11 | H19 | 83.8° | 60.0° |
| H18 | C10 | C11 | H20 | 34.1° | 60.0° |
| H19 | C11 | C12 | H21 | 90.4° | 60.0° |
| H19 | C11 | C12 | H22 | 28.3° | 60.0° |
| H20 | C11 | C12 | H21 | 27.4° | 180.0° |
| H20 | C11 | C12 | H22 | 146.2° | 60.0° |
| H21 | C12 | C13 | H23 | 42.7° | 60.1° |
| H21 | C12 | C13 | H24 | 76.4° | 180.0° |
| H22 | C12 | C13 | H23 | 161.4° | 60.0° |
| H22 | C12 | C13 | H24 | 42.3° | 60.0° |
| H23 | C13 | C14 | H25 | 63.7° | 59.9° |
| H23 | C13 | C14 | H26 | 176.1° | 60.0° |
| H24 | C13 | C14 | H25 | 55.4° | 60.0° |
| H24 | C13 | C14 | H26 | 64.8° | 180.0° |
