AI2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | B2 | sing | 1.38Å | 1.41Å | |
| O1 | C8 | sing | 1.44Å | 1.33Å | |
| B2 | O9 | sing | 1.37Å | 1.51Å | |
| B2 | O10 | sing | 1.37Å | 1.46Å | |
| B2 | O3 | sing | 1.39Å | 1.51Å | |
| O9 | H9 | sing | 0.97Å | 0.95Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| O3 | C4 | sing | 1.44Å | 1.47Å | |
| C4 | C11 | sing | 1.53Å | 1.49Å | |
| C4 | O5 | sing | 1.44Å | 1.46Å | |
| C4 | C8 | sing | 1.55Å | 1.63Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| O5 | C6 | sing | 1.44Å | 1.42Å | |
| C6 | C7 | sing | 1.55Å | 1.51Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | O12 | sing | 1.43Å | 1.39Å | |
| C7 | C8 | sing | 1.54Å | 1.56Å | |
| C7 | H7 | sing | 1.09Å | 1.11Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| C8 | O13 | sing | 1.43Å | 1.44Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| B2 | O1 | C8 | 110.2° | 104.8° |
| O1 | B2 | O9 | 112.4° | 110.0° |
| O1 | B2 | O10 | 108.4° | 110.1° |
| O1 | B2 | O3 | 106.1° | 106.7° |
| O1 | C8 | C4 | 109.4° | 103.2° |
| O1 | C8 | C7 | 118.3° | 108.9° |
| O1 | C8 | O13 | 116.1° | 113.6° |
| O9 | B2 | O10 | 109.9° | 110.2° |
| O9 | B2 | O3 | 105.7° | 109.6° |
| B2 | O9 | H9 | 112.4° | 106.9° |
| O10 | B2 | O3 | 114.3° | 110.2° |
| B2 | O10 | H10 | 108.4° | 106.8° |
| B2 | O3 | C4 | 110.2° | 104.8° |
| O3 | C4 | C11 | 103.6° | 112.5° |
| O3 | C4 | O5 | 109.7° | 108.4° |
| O3 | C4 | C8 | 98.9° | 103.6° |
| C11 | C4 | O5 | 113.2° | 112.3° |
| C11 | C4 | C8 | 120.7° | 112.5° |
| C4 | C11 | H111 | 114.5° | 109.5° |
| C4 | C11 | H112 | 103.6° | 109.6° |
| C4 | C11 | H113 | 114.5° | 109.5° |
| O5 | C4 | C8 | 109.1° | 106.9° |
| C4 | O5 | C6 | 106.4° | 107.3° |
| C4 | C8 | C7 | 95.8° | 104.1° |
| C4 | C8 | O13 | 108.1° | 113.2° |
| H111 | C11 | H112 | 114.4° | 109.5° |
| H111 | C11 | H113 | 96.0° | 109.4° |
| H112 | C11 | H113 | 114.4° | 109.4° |
| O5 | C6 | C7 | 106.6° | 103.5° |
| O5 | C6 | H61 | 113.3° | 110.6° |
| O5 | C6 | H62 | 113.3° | 110.6° |
| C7 | C6 | H61 | 113.3° | 110.6° |
| C7 | C6 | H62 | 113.3° | 110.6° |
| C6 | C7 | O12 | 111.8° | 110.8° |
| C6 | C7 | C8 | 102.3° | 102.2° |
| C6 | C7 | H7 | 116.4° | 110.8° |
| H61 | C6 | H62 | 97.2° | 110.7° |
| O12 | C7 | C8 | 118.5° | 111.1° |
| O12 | C7 | H7 | 99.3° | 110.7° |
| C7 | O12 | H12 | 111.8° | 106.8° |
| C8 | C7 | H7 | 109.3° | 110.9° |
| C7 | C8 | O13 | 107.1° | 113.0° |
| C8 | O13 | H13 | 116.1° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | B2 | O9 | O10 | 120.9° | 121.5° |
| O1 | B2 | O9 | O3 | 115.3° | 117.1° |
| O1 | B2 | O10 | O3 | 118.1° | 117.4° |
| O1 | B2 | O9 | H9 | 180.0° | 180.0° |
| O1 | B2 | O10 | H10 | 180.0° | 180.0° |
| O1 | B2 | O3 | C4 | 9.5° | 40.0° |
| B2 | O1 | C8 | C4 | 24.2° | 25.4° |
| B2 | O1 | C8 | C7 | 132.2° | 135.6° |
| B2 | O1 | C8 | O13 | 98.4° | 97.6° |
| C8 | O1 | B2 | O9 | 93.8° | 77.3° |
| C8 | O1 | B2 | O10 | 144.5° | 161.1° |
| C8 | O1 | B2 | O3 | 21.3° | 41.6° |
| O1 | C8 | C4 | O3 | 16.6° | 2.0° |
| O1 | C8 | C4 | C11 | 128.4° | 123.8° |
| O1 | C8 | C4 | O5 | 97.9° | 112.4° |
| O1 | C8 | C4 | C7 | 122.7° | 113.7° |
| O1 | C8 | C4 | O13 | 127.2° | 123.2° |
| O1 | C8 | C7 | C6 | 76.3° | 131.1° |
| O1 | C8 | C7 | O12 | 160.3° | 110.6° |
| O1 | C8 | C7 | O13 | 133.5° | 127.2° |
| O1 | C8 | C7 | H7 | 47.6° | 12.9° |
| O1 | C8 | O13 | H13 | 180.0° | 63.7° |
| O9 | B2 | O10 | O3 | 118.6° | 121.1° |
| O9 | B2 | O10 | H10 | 56.7° | 58.5° |
| O9 | B2 | O3 | C4 | 110.1° | 79.1° |
| O10 | B2 | O9 | H9 | 59.1° | 58.5° |
| O10 | B2 | O3 | C4 | 128.9° | 159.5° |
| O3 | B2 | O9 | H9 | 64.7° | 62.9° |
| O3 | B2 | O10 | H10 | 61.9° | 62.6° |
| B2 | O3 | C4 | C11 | 128.3° | 99.9° |
| B2 | O3 | C4 | O5 | 110.6° | 135.2° |
| B2 | O3 | C4 | C8 | 3.5° | 21.9° |
| O3 | C4 | C11 | O5 | 118.8° | 122.7° |
| O3 | C4 | C11 | C8 | 109.2° | 116.6° |
| O3 | C4 | O5 | C8 | 107.4° | 111.1° |
| O3 | C4 | C11 | H111 | 54.7° | 61.6° |
| O3 | C4 | C11 | H112 | 180.0° | 178.3° |
| O3 | C4 | C11 | H113 | 54.7° | 58.3° |
| O3 | C4 | O5 | C6 | 106.7° | 137.2° |
| O3 | C4 | C8 | C7 | 139.3° | 115.8° |
| O3 | C4 | C8 | O13 | 110.6° | 121.2° |
| C11 | C4 | O5 | C8 | 137.5° | 123.9° |
| C4 | C11 | H111 | H112 | 119.4° | 120.1° |
| C4 | C11 | H111 | H113 | 120.4° | 120.0° |
| C4 | C11 | H112 | H113 | 125.3° | 120.0° |
| C11 | C4 | O5 | C6 | 138.2° | 97.8° |
| C11 | C4 | C8 | C7 | 108.9° | 122.4° |
| C11 | C4 | C8 | O13 | 1.2° | 0.6° |
| O5 | C4 | C11 | H111 | 64.0° | 61.1° |
| O5 | C4 | C11 | H112 | 61.2° | 59.0° |
| O5 | C4 | C11 | H113 | 173.5° | 179.0° |
| C4 | O5 | C6 | C7 | 27.9° | 40.1° |
| C4 | O5 | C6 | H61 | 97.4° | 78.3° |
| C4 | O5 | C6 | H62 | 153.1° | 158.6° |
| O5 | C4 | C8 | C7 | 24.8° | 1.3° |
| O5 | C4 | C8 | O13 | 134.8° | 124.4° |
| C8 | C4 | C11 | H111 | 164.0° | 178.2° |
| C8 | C4 | C11 | H112 | 70.8° | 61.7° |
| C8 | C4 | C11 | H113 | 54.5° | 58.3° |
| C8 | C4 | O5 | C6 | 0.7° | 26.0° |
| C4 | C8 | C7 | C6 | 39.4° | 21.5° |
| C4 | C8 | C7 | O12 | 84.0° | 139.8° |
| C4 | C8 | C7 | O13 | 110.9° | 123.2° |
| C4 | C8 | C7 | H7 | 163.3° | 96.6° |
| C4 | C8 | O13 | H13 | 56.7° | 179.0° |
| H111 | C11 | H112 | H113 | 109.4° | 119.9° |
| O5 | C6 | C7 | H61 | 125.3° | 118.5° |
| O5 | C6 | C7 | H62 | 125.3° | 118.5° |
| O5 | C6 | H61 | H62 | 119.2° | 123.0° |
| O5 | C6 | C7 | O12 | 82.8° | 155.9° |
| O5 | C6 | C7 | C8 | 44.9° | 37.4° |
| O5 | C6 | C7 | H7 | 164.0° | 80.7° |
| C7 | C6 | H61 | H62 | 119.2° | 123.0° |
| C6 | C7 | O12 | C8 | 118.6° | 112.9° |
| C6 | C7 | O12 | H7 | 123.4° | 123.4° |
| C6 | C7 | C8 | H7 | 123.9° | 118.2° |
| C6 | C7 | O12 | H12 | 180.0° | 61.4° |
| C6 | C7 | C8 | O13 | 150.3° | 101.7° |
| H61 | C6 | C7 | O12 | 151.9° | 37.4° |
| H61 | C6 | C7 | C8 | 80.4° | 81.0° |
| H61 | C6 | C7 | H7 | 38.7° | 160.8° |
| H62 | C6 | C7 | O12 | 42.4° | 85.6° |
| H62 | C6 | C7 | C8 | 170.2° | 155.9° |
| H62 | C6 | C7 | H7 | 70.7° | 37.8° |
| O12 | C7 | C8 | H7 | 112.7° | 123.6° |
| O12 | C7 | C8 | O13 | 26.9° | 16.5° |
| C8 | C7 | O12 | H12 | 61.4° | 174.3° |
| C7 | C8 | O13 | H13 | 45.4° | 61.0° |
| H7 | C7 | O12 | H12 | 56.6° | 62.0° |
| H7 | C7 | C8 | O13 | 85.8° | 140.1° |
