AI7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C5 | doub | 1.24Å | 1.34Å | |
| C3 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| C3 | C14 | sing | 1.39Å | 1.43Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.43Å | Aromatic |
| C5 | C14 | sing | 1.45Å | 1.50Å | |
| C5 | O17 | sing | 1.36Å | 1.23Å | |
| C14 | C1 | doub | 1.39Å | 1.43Å | Aromatic |
| C7 | C11 | doub | 1.39Å | 1.44Å | Aromatic |
| C1 | C11 | sing | 1.39Å | 1.43Å | Aromatic |
| C11 | O16 | sing | 1.37Å | 1.38Å | |
| O16 | C8 | sing | 1.42Å | 1.41Å | |
| C8 | C6 | sing | 1.52Å | 1.52Å | |
| C6 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C4 | C12 | sing | 1.53Å | 1.54Å | |
| C4 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.52Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.08Å | |
| C3 | H3 | sing | 1.09Å | 1.08Å | |
| C4 | H41 | sing | 1.10Å | 1.10Å | |
| C4 | H42 | sing | 1.10Å | 1.10Å | |
| C6 | H61 | sing | 1.10Å | 1.10Å | |
| C6 | H62 | sing | 1.10Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.08Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.10Å | 1.10Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C12 | H121 | sing | 1.10Å | 1.10Å | |
| C12 | H122 | sing | 1.10Å | 1.10Å | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C13 | H132 | sing | 1.10Å | 1.10Å | |
| O17 | HO17 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C5 | C14 | 122.8° | 125.4° |
| O15 | C5 | O17 | 115.9° | 122.1° |
| C2 | C3 | C14 | 119.6° | 120.0° |
| C3 | C2 | C7 | 120.3° | 120.0° |
| C3 | C2 | H2 | 119.9° | 120.0° |
| C2 | C3 | H3 | 120.2° | 119.4° |
| C3 | C14 | C5 | 120.0° | 120.0° |
| C3 | C14 | C1 | 119.0° | 120.0° |
| C14 | C3 | H3 | 120.2° | 120.6° |
| C2 | C7 | C11 | 122.0° | 119.6° |
| C7 | C2 | H2 | 119.9° | 120.0° |
| C2 | C7 | H7 | 119.0° | 119.6° |
| C14 | C5 | O17 | 121.3° | 112.4° |
| C5 | C14 | C1 | 120.9° | 120.0° |
| C5 | O17 | HO17 | 109.5° | 113.1° |
| C14 | C1 | C11 | 123.0° | 119.6° |
| C14 | C1 | H1 | 118.5° | 120.3° |
| C7 | C11 | C1 | 116.2° | 120.7° |
| C7 | C11 | O16 | 126.7° | 119.6° |
| C11 | C7 | H7 | 119.0° | 120.8° |
| C1 | C11 | O16 | 117.1° | 119.7° |
| C11 | C1 | H1 | 118.5° | 120.1° |
| C11 | O16 | C8 | 121.2° | 116.8° |
| O16 | C8 | C6 | 108.0° | 108.9° |
| O16 | C8 | H81 | 110.0° | 108.6° |
| O16 | C8 | H82 | 110.3° | 108.5° |
| C8 | C6 | C13 | 110.9° | 111.7° |
| C8 | C6 | H61 | 109.0° | 109.3° |
| C8 | C6 | H62 | 108.7° | 109.3° |
| C6 | C8 | H81 | 109.9° | 110.9° |
| C6 | C8 | H82 | 110.2° | 110.9° |
| C6 | C13 | C12 | 112.6° | 111.2° |
| C13 | C6 | H61 | 109.0° | 110.3° |
| C13 | C6 | H62 | 108.7° | 110.3° |
| C6 | C13 | H131 | 108.4° | 109.1° |
| C6 | C13 | H132 | 107.7° | 109.5° |
| C13 | C12 | C4 | 111.9° | 113.4° |
| C13 | C12 | H121 | 108.7° | 109.8° |
| C13 | C12 | H122 | 108.1° | 109.0° |
| C12 | C13 | H131 | 108.5° | 110.1° |
| C12 | C13 | H132 | 107.8° | 109.6° |
| C12 | C4 | C10 | 111.9° | 113.4° |
| C12 | C4 | H41 | 108.7° | 109.6° |
| C12 | C4 | H42 | 108.2° | 108.2° |
| C4 | C12 | H121 | 108.7° | 109.6° |
| C4 | C12 | H122 | 108.1° | 108.1° |
| C4 | C10 | C9 | 111.5° | 111.4° |
| C10 | C4 | H41 | 108.7° | 109.7° |
| C10 | C4 | H42 | 108.2° | 109.0° |
| C4 | C10 | H101 | 108.8° | 109.9° |
| C4 | C10 | H102 | 108.3° | 110.4° |
| C10 | C9 | H91 | 109.5° | 111.0° |
| C10 | C9 | H92 | 109.5° | 110.2° |
| C10 | C9 | H93 | 109.5° | 111.0° |
| C9 | C10 | H101 | 108.8° | 109.2° |
| C9 | C10 | H102 | 108.3° | 108.6° |
| H41 | C4 | H42 | 111.4° | 106.7° |
| H61 | C6 | H62 | 110.5° | 105.8° |
| H81 | C8 | H82 | 108.4° | 109.0° |
| H91 | C9 | H92 | 109.5° | 108.1° |
| H91 | C9 | H93 | 109.4° | 108.3° |
| H92 | C9 | H93 | 109.5° | 108.0° |
| H101 | C10 | H102 | 111.1° | 107.4° |
| H121 | C12 | H122 | 111.4° | 106.8° |
| H131 | C13 | H132 | 111.9° | 107.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C5 | C14 | C3 | 0.2° | 180.0° |
| O15 | C5 | C14 | O17 | 179.9° | 179.9° |
| O15 | C5 | C14 | C1 | 179.8° | 0.0° |
| O15 | C5 | O17 | HO17 | 0.0° | 0.0° |
| C2 | C3 | C14 | H3 | 180.0° | 180.0° |
| C3 | C2 | C7 | H2 | 180.0° | 180.0° |
| C2 | C3 | C14 | C5 | 180.0° | 180.0° |
| C2 | C3 | C14 | C1 | 0.0° | 0.0° |
| C3 | C2 | C7 | C11 | 0.0° | 0.0° |
| C3 | C2 | C7 | H7 | 180.0° | 180.0° |
| C14 | C3 | C2 | C7 | 0.0° | 0.0° |
| C3 | C14 | C5 | C1 | 180.0° | 180.0° |
| C3 | C14 | C5 | O17 | 179.9° | 0.0° |
| C3 | C14 | C1 | C11 | 0.1° | 0.0° |
| C3 | C14 | C1 | H1 | 179.9° | 180.0° |
| C14 | C3 | C2 | H2 | 180.0° | 180.0° |
| C2 | C7 | C11 | H7 | 180.0° | 180.0° |
| C2 | C7 | C11 | C1 | 0.0° | 0.0° |
| C2 | C7 | C11 | O16 | 180.0° | 179.9° |
| C7 | C2 | C3 | H3 | 180.0° | 180.0° |
| C5 | C14 | C1 | C11 | 179.9° | 180.0° |
| C5 | C14 | C1 | H1 | 0.1° | 0.0° |
| C5 | C14 | C3 | H3 | 0.1° | 0.0° |
| C14 | C5 | O17 | HO17 | 179.9° | 179.9° |
| O17 | C5 | C14 | C1 | 0.1° | 179.9° |
| C14 | C1 | C11 | C7 | 0.1° | 0.0° |
| C14 | C1 | C11 | H1 | 180.0° | 180.0° |
| C14 | C1 | C11 | O16 | 179.9° | 179.9° |
| C1 | C14 | C3 | H3 | 180.0° | 180.0° |
| C7 | C11 | C1 | O16 | 180.0° | 179.9° |
| C7 | C11 | O16 | C8 | 8.9° | 30.0° |
| C7 | C11 | C1 | H1 | 179.9° | 180.0° |
| C11 | C7 | C2 | H2 | 180.0° | 180.0° |
| C1 | C11 | O16 | C8 | 171.1° | 150.0° |
| C1 | C11 | C7 | H7 | 180.0° | 180.0° |
| C11 | O16 | C8 | C6 | 176.0° | 150.8° |
| O16 | C11 | C1 | H1 | 0.1° | 0.1° |
| O16 | C11 | C7 | H7 | 0.0° | 0.1° |
| C11 | O16 | C8 | H81 | 56.0° | 30.0° |
| C11 | O16 | C8 | H82 | 63.4° | 88.4° |
| O16 | C8 | C6 | H81 | 120.0° | 119.4° |
| O16 | C8 | C6 | H82 | 120.6° | 119.3° |
| O16 | C8 | C6 | C13 | 99.8° | 179.4° |
| O16 | C8 | C6 | H61 | 20.2° | 58.3° |
| O16 | C8 | C6 | H62 | 140.7° | 57.1° |
| O16 | C8 | H81 | H82 | 120.6° | 118.1° |
| C8 | C6 | C13 | H61 | 120.0° | 121.7° |
| C8 | C6 | C13 | H62 | 119.4° | 121.7° |
| C8 | C6 | C13 | C12 | 158.3° | 178.3° |
| C8 | C6 | H61 | H62 | 119.4° | 117.6° |
| C6 | C8 | H81 | H82 | 120.5° | 122.4° |
| C8 | C6 | C13 | H131 | 38.3° | 56.7° |
| C8 | C6 | C13 | H132 | 83.1° | 60.4° |
| C6 | C13 | C12 | H131 | 120.0° | 121.0° |
| C6 | C13 | C12 | H132 | 118.6° | 121.3° |
| C6 | C13 | C12 | C4 | 85.9° | 179.0° |
| C13 | C6 | H61 | H62 | 119.4° | 119.3° |
| C13 | C6 | C8 | H81 | 140.1° | 60.0° |
| C13 | C6 | C8 | H82 | 20.7° | 61.3° |
| C6 | C13 | C12 | H121 | 154.1° | 58.1° |
| C6 | C13 | C12 | H122 | 33.1° | 58.6° |
| C6 | C13 | H131 | H132 | 118.7° | 118.6° |
| C13 | C12 | C4 | H121 | 120.0° | 123.0° |
| C13 | C12 | C4 | H122 | 119.0° | 121.0° |
| C13 | C12 | C4 | C10 | 179.9° | 177.0° |
| C13 | C12 | C4 | H41 | 60.1° | 60.0° |
| C13 | C12 | C4 | H42 | 60.9° | 55.9° |
| C12 | C13 | C6 | H61 | 81.7° | 60.0° |
| C12 | C13 | C6 | H62 | 38.8° | 56.6° |
| C13 | C12 | H121 | H122 | 119.0° | 118.0° |
| C12 | C13 | H131 | H132 | 118.8° | 119.2° |
| C12 | C4 | C10 | H41 | 120.0° | 122.9° |
| C12 | C4 | C10 | H42 | 119.0° | 120.6° |
| C12 | C4 | C10 | C9 | 179.8° | 177.1° |
| C12 | C4 | H41 | H42 | 119.0° | 116.9° |
| C12 | C4 | C10 | H101 | 59.8° | 56.0° |
| C12 | C4 | C10 | H102 | 61.1° | 62.3° |
| C4 | C12 | H121 | H122 | 119.0° | 116.8° |
| C4 | C12 | C13 | H131 | 34.1° | 60.0° |
| C4 | C12 | C13 | H132 | 155.5° | 57.8° |
| C4 | C10 | C9 | H101 | 120.0° | 121.5° |
| C4 | C10 | C9 | H102 | 119.1° | 121.7° |
| C10 | C4 | H41 | H42 | 119.0° | 118.0° |
| C4 | C10 | C9 | H91 | 173.8° | 59.9° |
| C4 | C10 | C9 | H92 | 66.2° | 179.7° |
| C4 | C10 | C9 | H93 | 53.8° | 60.7° |
| C4 | C10 | H101 | H102 | 119.2° | 120.1° |
| C10 | C4 | C12 | H121 | 59.9° | 60.0° |
| C10 | C4 | C12 | H122 | 61.1° | 56.0° |
| C9 | C10 | C4 | H41 | 60.3° | 60.0° |
| C9 | C10 | C4 | H42 | 60.8° | 56.5° |
| C10 | C9 | H91 | H92 | 120.0° | 121.0° |
| C10 | C9 | H91 | H93 | 120.0° | 122.1° |
| C10 | C9 | H92 | H93 | 120.0° | 121.4° |
| C9 | C10 | H101 | H102 | 119.2° | 117.5° |
| H2 | C2 | C3 | H3 | 0.0° | 0.0° |
| H2 | C2 | C7 | H7 | 0.0° | 0.0° |
| H41 | C4 | C10 | H101 | 179.7° | 179.0° |
| H41 | C4 | C10 | H102 | 58.9° | 60.7° |
| H41 | C4 | C12 | H121 | 179.9° | 63.0° |
| H41 | C4 | C12 | H122 | 58.9° | 179.0° |
| H42 | C4 | C10 | H101 | 59.2° | 64.6° |
| H42 | C4 | C10 | H102 | 179.9° | 177.2° |
| H42 | C4 | C12 | H121 | 59.1° | 178.9° |
| H42 | C4 | C12 | H122 | 179.9° | 65.1° |
| H61 | C6 | C8 | H81 | 99.9° | 177.7° |
| H61 | C6 | C8 | H82 | 140.7° | 61.0° |
| H61 | C6 | C13 | H131 | 158.3° | 178.5° |
| H61 | C6 | C13 | H132 | 36.9° | 61.3° |
| H62 | C6 | C8 | H81 | 20.7° | 62.3° |
| H62 | C6 | C8 | H82 | 98.7° | 176.4° |
| H62 | C6 | C13 | H131 | 81.2° | 65.0° |
| H62 | C6 | C13 | H132 | 157.5° | 177.9° |
| H91 | C9 | H92 | H93 | 120.0° | 117.0° |
| H91 | C9 | C10 | H101 | 53.8° | 178.6° |
| H91 | C9 | C10 | H102 | 67.1° | 61.8° |
| H92 | C9 | C10 | H101 | 173.8° | 58.8° |
| H92 | C9 | C10 | H102 | 52.9° | 58.0° |
| H93 | C9 | C10 | H101 | 66.2° | 60.8° |
| H93 | C9 | C10 | H102 | 172.9° | 177.6° |
| H121 | C12 | C13 | H131 | 85.9° | 62.9° |
| H121 | C12 | C13 | H132 | 35.5° | 179.3° |
| H122 | C12 | C13 | H131 | 153.1° | 179.6° |
| H122 | C12 | C13 | H132 | 85.5° | 62.7° |
