A1IO7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | N5 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| N5 | C5 | sing | 1.47Å | 1.48Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| O6 | H8 | sing | 0.97Å | 0.95Å | |
| O4 | H9 | sing | 0.97Å | 0.95Å | |
| N5 | H10 | sing | 1.01Å | 1.00Å | |
| O2 | H12 | sing | 0.97Å | 0.95Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | C1 | 106.8° | 109.6° |
| O2 | C2 | C3 | 110.3° | 109.5° |
| O2 | C2 | H3 | 110.8° | 109.5° |
| C2 | O2 | H12 | 109.5° | 114.0° |
| C2 | C1 | N5 | 109.6° | 109.5° |
| C1 | C2 | C3 | 110.1° | 109.3° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| C2 | C1 | H5 | 109.4° | 109.5° |
| C1 | N5 | C5 | 114.0° | 111.2° |
| N5 | C1 | H4 | 109.5° | 109.5° |
| N5 | C1 | H5 | 109.5° | 109.4° |
| C1 | N5 | H10 | 108.3° | 111.0° |
| C2 | C3 | O3 | 112.0° | 109.6° |
| C2 | C3 | C4 | 108.9° | 109.2° |
| C2 | C3 | H2 | 108.6° | 109.6° |
| C3 | C2 | H3 | 109.3° | 109.5° |
| N5 | C5 | C4 | 109.2° | 109.5° |
| N5 | C5 | C6 | 107.9° | 109.5° |
| N5 | C5 | C12 | 110.8° | 109.5° |
| C5 | N5 | H10 | 108.3° | 111.0° |
| C16 | C15 | C14 | 112.6° | 109.5° |
| C16 | C15 | H20 | 108.7° | 109.5° |
| C16 | C15 | H21 | 108.7° | 109.5° |
| C15 | C16 | H22 | 109.5° | 109.5° |
| C15 | C16 | H23 | 109.5° | 109.5° |
| C15 | C16 | H24 | 109.5° | 109.5° |
| O6 | C6 | C5 | 108.6° | 109.5° |
| O6 | C6 | H6 | 109.7° | 109.4° |
| O6 | C6 | H7 | 109.7° | 109.5° |
| C6 | O6 | H8 | 109.5° | 114.0° |
| O3 | C3 | C4 | 108.6° | 109.5° |
| O3 | C3 | H2 | 109.9° | 109.5° |
| C3 | O3 | H13 | 109.5° | 114.0° |
| C3 | C4 | C5 | 111.0° | 109.3° |
| C3 | C4 | O4 | 108.9° | 109.5° |
| C3 | C4 | H1 | 108.5° | 109.5° |
| C4 | C3 | H2 | 108.7° | 109.5° |
| C4 | C5 | C6 | 107.6° | 109.4° |
| C4 | C5 | C12 | 110.4° | 109.5° |
| C5 | C4 | O4 | 110.3° | 109.5° |
| C5 | C4 | H1 | 108.4° | 109.5° |
| C6 | C5 | C12 | 110.9° | 109.5° |
| C5 | C6 | H6 | 109.7° | 109.5° |
| C5 | C6 | H7 | 109.7° | 109.5° |
| C5 | C12 | C13 | 116.2° | 109.4° |
| C5 | C12 | H14 | 107.8° | 109.5° |
| C5 | C12 | H15 | 107.8° | 109.5° |
| C14 | C13 | C12 | 109.3° | 109.5° |
| C13 | C14 | C15 | 113.1° | 109.5° |
| C14 | C13 | H16 | 109.5° | 109.4° |
| C14 | C13 | H17 | 109.5° | 109.4° |
| C13 | C14 | H18 | 108.6° | 109.5° |
| C13 | C14 | H19 | 108.6° | 109.5° |
| C13 | C12 | H14 | 107.7° | 109.4° |
| C13 | C12 | H15 | 107.7° | 109.4° |
| C12 | C13 | H16 | 109.5° | 109.5° |
| C12 | C13 | H17 | 109.5° | 109.5° |
| O4 | C4 | H1 | 109.8° | 109.5° |
| C4 | O4 | H9 | 109.5° | 114.0° |
| C15 | C14 | H18 | 108.5° | 109.5° |
| C15 | C14 | H19 | 108.5° | 109.5° |
| C14 | C15 | H20 | 108.7° | 109.5° |
| C14 | C15 | H21 | 108.7° | 109.5° |
| H4 | C1 | H5 | 109.4° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.4° | 109.5° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.4° |
| H22 | C16 | H24 | 109.5° | 109.5° |
| H23 | C16 | H24 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | C1 | C3 | 119.8° | 120.0° |
| O2 | C2 | C1 | H3 | 120.0° | 120.1° |
| O2 | C2 | C1 | N5 | 177.5° | 179.1° |
| O2 | C2 | C3 | H3 | 122.1° | 120.1° |
| O2 | C2 | C3 | O3 | 63.7° | 62.4° |
| O2 | C2 | C3 | C4 | 176.1° | 177.6° |
| O2 | C2 | C3 | H2 | 57.8° | 57.7° |
| O2 | C2 | C1 | H4 | 62.4° | 60.8° |
| O2 | C2 | C1 | H5 | 57.5° | 59.2° |
| C2 | C1 | N5 | H4 | 120.0° | 120.0° |
| C2 | C1 | N5 | H5 | 120.0° | 120.0° |
| C1 | C2 | C3 | H3 | 120.3° | 119.9° |
| C2 | C1 | N5 | C5 | 58.0° | 61.7° |
| C1 | C2 | C3 | O3 | 178.7° | 177.6° |
| C1 | C2 | C3 | C4 | 58.5° | 57.6° |
| C1 | C2 | C3 | H2 | 59.8° | 62.3° |
| C2 | C1 | H4 | H5 | 119.9° | 120.0° |
| C2 | C1 | N5 | H10 | 62.7° | 62.4° |
| C1 | C2 | O2 | H12 | 180.0° | 60.1° |
| N5 | C1 | C2 | C3 | 57.8° | 59.2° |
| C1 | N5 | C5 | H10 | 120.7° | 124.1° |
| C1 | N5 | C5 | C4 | 56.7° | 61.7° |
| C1 | N5 | C5 | C6 | 173.4° | 178.3° |
| C1 | N5 | C5 | C12 | 65.0° | 58.3° |
| N5 | C1 | C2 | H3 | 62.4° | 60.8° |
| N5 | C1 | H4 | H5 | 120.0° | 119.9° |
| C2 | C3 | O3 | C4 | 120.4° | 119.7° |
| C2 | C3 | O3 | H2 | 120.8° | 120.2° |
| C2 | C3 | C4 | H2 | 118.2° | 120.0° |
| C2 | C3 | C4 | C5 | 58.0° | 57.6° |
| C2 | C3 | C4 | O4 | 179.6° | 177.6° |
| C2 | C3 | C4 | H1 | 61.0° | 62.3° |
| C3 | C2 | C1 | H4 | 177.8° | 179.2° |
| C3 | C2 | C1 | H5 | 62.3° | 60.8° |
| C3 | C2 | O2 | H12 | 60.4° | 180.0° |
| C2 | C3 | O3 | H13 | 180.0° | 60.3° |
| N5 | C5 | C6 | O6 | 53.1° | 53.4° |
| N5 | C5 | C4 | C3 | 56.1° | 59.2° |
| N5 | C5 | C4 | C6 | 116.8° | 120.0° |
| N5 | C5 | C4 | C12 | 122.0° | 120.1° |
| N5 | C5 | C6 | C12 | 121.5° | 120.0° |
| N5 | C5 | C12 | C13 | 53.6° | 54.2° |
| N5 | C5 | C4 | O4 | 176.8° | 179.1° |
| N5 | C5 | C4 | H1 | 63.0° | 60.8° |
| C5 | N5 | C1 | H4 | 178.0° | 178.2° |
| C5 | N5 | C1 | H5 | 62.0° | 58.3° |
| N5 | C5 | C6 | H6 | 173.0° | 173.4° |
| N5 | C5 | C6 | H7 | 66.7° | 66.6° |
| N5 | C5 | C12 | H14 | 67.4° | 65.7° |
| N5 | C5 | C12 | H15 | 174.6° | 174.2° |
| C16 | C15 | C14 | C13 | 82.2° | 180.0° |
| C16 | C15 | C14 | H20 | 120.5° | 120.0° |
| C16 | C15 | C14 | H21 | 120.5° | 120.0° |
| C16 | C15 | C14 | H18 | 38.3° | 60.0° |
| C16 | C15 | C14 | H19 | 157.2° | 60.0° |
| C16 | C15 | H20 | H21 | 118.6° | 120.0° |
| C15 | C16 | H22 | H23 | 120.0° | 120.0° |
| C15 | C16 | H22 | H24 | 120.0° | 120.0° |
| C15 | C16 | H23 | H24 | 120.0° | 120.0° |
| O6 | C6 | C5 | C4 | 64.5° | 173.5° |
| O6 | C6 | C5 | H6 | 119.9° | 119.9° |
| O6 | C6 | C5 | H7 | 119.9° | 120.0° |
| O6 | C6 | C5 | C12 | 174.6° | 66.6° |
| O6 | C6 | H6 | H7 | 120.4° | 120.0° |
| O3 | C3 | C4 | H2 | 119.6° | 120.1° |
| O3 | C3 | C4 | C5 | 179.8° | 177.6° |
| O3 | C3 | C4 | O4 | 58.2° | 62.4° |
| O3 | C3 | C4 | H1 | 61.2° | 57.6° |
| O3 | C3 | C2 | H3 | 58.3° | 57.6° |
| C3 | C4 | C5 | O4 | 120.7° | 120.0° |
| C3 | C4 | C5 | H1 | 119.0° | 120.0° |
| C3 | C4 | C5 | C6 | 172.9° | 179.2° |
| C3 | C4 | C5 | C12 | 65.9° | 60.9° |
| C3 | C4 | O4 | H1 | 118.6° | 120.1° |
| C4 | C3 | C2 | H3 | 61.8° | 62.3° |
| C3 | C4 | O4 | H9 | 180.0° | 60.2° |
| C4 | C3 | O3 | H13 | 59.6° | 180.0° |
| C4 | C5 | C6 | C12 | 120.8° | 119.9° |
| C4 | C5 | C12 | C13 | 174.6° | 174.3° |
| C5 | C4 | O4 | H1 | 119.4° | 120.1° |
| C5 | C4 | C3 | H2 | 60.2° | 62.3° |
| C4 | C5 | C6 | H6 | 55.3° | 66.6° |
| C4 | C5 | C6 | H7 | 175.6° | 53.5° |
| C5 | C4 | O4 | H9 | 58.0° | 180.0° |
| C4 | C5 | N5 | H10 | 64.0° | 62.4° |
| C4 | C5 | C12 | H14 | 53.6° | 54.3° |
| C4 | C5 | C12 | H15 | 64.4° | 65.8° |
| C6 | C5 | C12 | C13 | 66.2° | 65.8° |
| C6 | C5 | C4 | O4 | 66.4° | 60.9° |
| C6 | C5 | C4 | H1 | 53.8° | 59.2° |
| C5 | C6 | H6 | H7 | 120.4° | 120.0° |
| C5 | C6 | O6 | H8 | 180.0° | 180.0° |
| C6 | C5 | N5 | H10 | 52.7° | 57.6° |
| C6 | C5 | C12 | H14 | 172.8° | 174.3° |
| C6 | C5 | C12 | H15 | 54.8° | 54.2° |
| C5 | C12 | C13 | C14 | 159.9° | 174.4° |
| C5 | C12 | C13 | H14 | 121.0° | 119.9° |
| C5 | C12 | C13 | H15 | 121.0° | 120.0° |
| C12 | C5 | C4 | O4 | 54.8° | 59.1° |
| C12 | C5 | C4 | H1 | 175.0° | 179.2° |
| C12 | C5 | C6 | H6 | 65.5° | 53.4° |
| C12 | C5 | C6 | H7 | 54.8° | 173.4° |
| C12 | C5 | N5 | H10 | 174.3° | 177.6° |
| C5 | C12 | H14 | H15 | 116.9° | 120.1° |
| C5 | C12 | C13 | H16 | 39.9° | 65.6° |
| C5 | C12 | C13 | H17 | 80.1° | 54.4° |
| C14 | C13 | C12 | H16 | 120.0° | 120.0° |
| C14 | C13 | C12 | H17 | 120.0° | 120.0° |
| C13 | C14 | C15 | H18 | 120.5° | 120.0° |
| C13 | C14 | C15 | H19 | 120.6° | 120.0° |
| C14 | C13 | C12 | H14 | 38.9° | 54.4° |
| C14 | C13 | C12 | H15 | 79.1° | 65.6° |
| C14 | C13 | H16 | H17 | 120.1° | 119.9° |
| C13 | C14 | H18 | H19 | 118.4° | 120.0° |
| C13 | C14 | C15 | H20 | 38.3° | 60.0° |
| C13 | C14 | C15 | H21 | 157.3° | 60.0° |
| C12 | C13 | C14 | C15 | 151.0° | 180.0° |
| C13 | C12 | H14 | H15 | 116.9° | 120.0° |
| C12 | C13 | H16 | H17 | 120.1° | 120.1° |
| C12 | C13 | C14 | H18 | 88.5° | 60.0° |
| C12 | C13 | C14 | H19 | 30.4° | 60.0° |
| O4 | C4 | C3 | H2 | 61.3° | 57.6° |
| C15 | C14 | C13 | H16 | 89.0° | 60.0° |
| C15 | C14 | C13 | H17 | 31.0° | 60.0° |
| C15 | C14 | H18 | H19 | 118.3° | 120.0° |
| C14 | C15 | H20 | H21 | 118.5° | 120.0° |
| C14 | C15 | C16 | H22 | 180.0° | 180.0° |
| C14 | C15 | C16 | H23 | 60.0° | 60.0° |
| C14 | C15 | C16 | H24 | 60.0° | 60.0° |
| H1 | C4 | C3 | H2 | 179.3° | 177.7° |
| H1 | C4 | O4 | H9 | 61.4° | 59.9° |
| H2 | C3 | C2 | H3 | 179.9° | 177.8° |
| H2 | C3 | O3 | H13 | 59.2° | 59.9° |
| H3 | C2 | C1 | H4 | 57.6° | 59.3° |
| H3 | C2 | C1 | H5 | 177.5° | 179.2° |
| H3 | C2 | O2 | H12 | 60.8° | 60.0° |
| H4 | C1 | N5 | H10 | 57.3° | 57.7° |
| H5 | C1 | N5 | H10 | 177.3° | 177.6° |
| H6 | C6 | O6 | H8 | 60.2° | 60.1° |
| H7 | C6 | O6 | H8 | 60.1° | 60.0° |
| H14 | C12 | C13 | H16 | 81.1° | 174.4° |
| H14 | C12 | C13 | H17 | 158.9° | 65.5° |
| H15 | C12 | C13 | H16 | 160.9° | 54.4° |
| H15 | C12 | C13 | H17 | 40.9° | 174.4° |
| H16 | C13 | C14 | H18 | 31.5° | 180.0° |
| H16 | C13 | C14 | H19 | 150.4° | 60.0° |
| H17 | C13 | C14 | H18 | 151.5° | 60.0° |
| H17 | C13 | C14 | H19 | 89.5° | 180.0° |
| H18 | C14 | C15 | H20 | 158.8° | 180.0° |
| H18 | C14 | C15 | H21 | 82.1° | 60.0° |
| H19 | C14 | C15 | H20 | 82.3° | 60.0° |
| H19 | C14 | C15 | H21 | 36.8° | 180.0° |
| H20 | C15 | C16 | H22 | 59.6° | 60.0° |
| H20 | C15 | C16 | H23 | 60.4° | 180.0° |
| H20 | C15 | C16 | H24 | 179.6° | 60.0° |
| H21 | C15 | C16 | H22 | 59.5° | 60.0° |
| H21 | C15 | C16 | H23 | 179.5° | 60.0° |
| H21 | C15 | C16 | H24 | 60.5° | 180.0° |
| H22 | C16 | H23 | H24 | 120.0° | 120.0° |
