A1L8F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C07 | sing | 1.44Å | 1.42Å | |
| O01 | C01 | sing | 1.35Å | 1.49Å | |
| C07 | O02 | sing | 1.44Å | 1.34Å | |
| C01 | C02 | sing | 1.39Å | 1.38Å | Aromatic |
| C01 | C03 | doub | 1.40Å | 1.34Å | Aromatic |
| O02 | C03 | sing | 1.35Å | 1.38Å | |
| C02 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.52Å | 1.52Å | |
| C12 | C09 | doub | 1.31Å | 1.32Å | |
| C13 | O03 | sing | 1.43Å | 1.44Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| O04 | C14 | sing | 1.43Å | 1.40Å | |
| C16 | O03 | sing | 1.43Å | 1.39Å | |
| C05 | C08 | sing | 1.52Å | 1.47Å | |
| C05 | C06 | sing | 1.38Å | 1.44Å | Aromatic |
| C09 | C08 | sing | 1.51Å | 1.44Å | |
| C09 | C10 | sing | 1.52Å | 1.43Å | |
| C04 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C17 | sing | 1.56Å | 1.46Å | |
| C14 | C15 | sing | 1.52Å | 1.49Å | |
| C06 | C11 | sing | 1.51Å | 1.56Å | |
| C10 | C15 | sing | 1.53Å | 1.47Å | |
| C10 | N01 | sing | 1.48Å | 1.51Å | |
| C17 | N01 | sing | 1.49Å | 1.49Å | |
| C11 | N01 | sing | 1.47Å | 1.50Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.08Å | 1.08Å | |
| C04 | H10 | sing | 1.08Å | 1.08Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| O04 | H19 | sing | 0.97Å | 0.95Å | |
| C07 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | O01 | C01 | 101.8° | 105.5° |
| O01 | C07 | O02 | 112.1° | 104.0° |
| O01 | C07 | H11 | 108.8° | 110.5° |
| O01 | C07 | H20 | 108.8° | 110.6° |
| O01 | C01 | C02 | 132.2° | 130.3° |
| O01 | C01 | C03 | 107.6° | 108.9° |
| C07 | O02 | C03 | 107.3° | 105.6° |
| O02 | C07 | H11 | 108.8° | 110.5° |
| O02 | C07 | H20 | 108.8° | 110.5° |
| C02 | C01 | C03 | 120.2° | 120.8° |
| C01 | C02 | C05 | 118.8° | 117.4° |
| C01 | C02 | H9 | 120.6° | 121.3° |
| C01 | C03 | O02 | 110.8° | 108.7° |
| C01 | C03 | C04 | 123.8° | 121.1° |
| O02 | C03 | C04 | 125.4° | 130.1° |
| C02 | C05 | C08 | 119.5° | 118.1° |
| C02 | C05 | C06 | 120.4° | 122.1° |
| C05 | C02 | H9 | 120.6° | 121.3° |
| C03 | C04 | C06 | 118.5° | 117.8° |
| C03 | C04 | H10 | 120.8° | 121.1° |
| C13 | C12 | C09 | 121.5° | 112.8° |
| C12 | C13 | O03 | 108.9° | 109.5° |
| C12 | C13 | C14 | 111.8° | 108.9° |
| C13 | C12 | H15 | 119.3° | 123.6° |
| C12 | C13 | H16 | 108.8° | 109.6° |
| C12 | C09 | C08 | 124.7° | 132.6° |
| C12 | C09 | C10 | 123.4° | 121.7° |
| C09 | C12 | H15 | 119.3° | 123.6° |
| O03 | C13 | C14 | 108.6° | 109.5° |
| C13 | O03 | C16 | 113.7° | 114.0° |
| O03 | C13 | H16 | 109.9° | 109.6° |
| C13 | C14 | O04 | 109.0° | 108.6° |
| C13 | C14 | C15 | 109.6° | 113.5° |
| C14 | C13 | H16 | 108.9° | 109.7° |
| C13 | C14 | H17 | 108.9° | 108.7° |
| O04 | C14 | C15 | 109.2° | 108.7° |
| O04 | C14 | H17 | 110.7° | 108.6° |
| C14 | O04 | H19 | 109.5° | 114.0° |
| O03 | C16 | H4 | 109.5° | 109.4° |
| O03 | C16 | H5 | 109.5° | 109.5° |
| O03 | C16 | H6 | 109.5° | 109.5° |
| C08 | C05 | C06 | 120.1° | 119.8° |
| C05 | C08 | C09 | 107.8° | 106.2° |
| C05 | C08 | C17 | 104.2° | 105.6° |
| C05 | C08 | H12 | 115.2° | 113.8° |
| C05 | C06 | C04 | 118.3° | 120.7° |
| C05 | C06 | C11 | 124.0° | 121.9° |
| C08 | C09 | C10 | 111.9° | 105.7° |
| C09 | C08 | C17 | 96.6° | 101.1° |
| C09 | C08 | H12 | 115.7° | 114.6° |
| C09 | C10 | C15 | 107.6° | 107.6° |
| C09 | C10 | N01 | 98.8° | 106.3° |
| C09 | C10 | H1 | 112.9° | 111.1° |
| C04 | C06 | C11 | 117.7° | 117.4° |
| C06 | C04 | H10 | 120.8° | 121.2° |
| C08 | C17 | N01 | 103.7° | 101.3° |
| C08 | C17 | H7 | 110.9° | 111.0° |
| C08 | C17 | H8 | 110.9° | 111.1° |
| C17 | C08 | H12 | 115.3° | 114.2° |
| C14 | C15 | C10 | 107.9° | 111.9° |
| C14 | C15 | H2 | 109.9° | 109.0° |
| C14 | C15 | H3 | 109.8° | 108.9° |
| C15 | C14 | H17 | 109.4° | 108.8° |
| C06 | C11 | N01 | 102.1° | 111.1° |
| C06 | C11 | H13 | 111.3° | 109.1° |
| C06 | C11 | H14 | 111.3° | 109.2° |
| C15 | C10 | N01 | 112.8° | 111.0° |
| C15 | C10 | H1 | 112.3° | 110.4° |
| C10 | C15 | H2 | 109.9° | 109.0° |
| C10 | C15 | H3 | 109.9° | 109.0° |
| C10 | N01 | C17 | 107.1° | 106.3° |
| C10 | N01 | C11 | 108.0° | 110.6° |
| N01 | C10 | H1 | 111.7° | 110.4° |
| C17 | N01 | C11 | 108.3° | 107.9° |
| N01 | C17 | H7 | 110.9° | 111.1° |
| N01 | C17 | H8 | 110.9° | 111.1° |
| N01 | C11 | H13 | 111.3° | 109.1° |
| N01 | C11 | H14 | 111.3° | 109.2° |
| H2 | C15 | H3 | 109.5° | 109.0° |
| H4 | C16 | H5 | 109.5° | 109.5° |
| H4 | C16 | H6 | 109.4° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H7 | C17 | H8 | 109.5° | 110.9° |
| H11 | C07 | H20 | 109.5° | 110.5° |
| H13 | C11 | H14 | 109.5° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C07 | O02 | H11 | 120.4° | 118.6° |
| O01 | C07 | O02 | H20 | 120.4° | 118.7° |
| C07 | O01 | C01 | C02 | 176.3° | 163.5° |
| C07 | O01 | C01 | C03 | 3.8° | 16.5° |
| O01 | C07 | O02 | C03 | 7.0° | 26.0° |
| O01 | C07 | H11 | H20 | 118.8° | 122.7° |
| C01 | O01 | C07 | O02 | 6.6° | 25.9° |
| O01 | C01 | C02 | C03 | 179.9° | 180.0° |
| O01 | C01 | C03 | O02 | 0.1° | 0.0° |
| O01 | C01 | C02 | C05 | 179.9° | 179.9° |
| O01 | C01 | C03 | C04 | 179.9° | 180.0° |
| O01 | C01 | C02 | H9 | 0.1° | 0.1° |
| C01 | O01 | C07 | H11 | 113.8° | 144.6° |
| C01 | O01 | C07 | H20 | 127.0° | 92.7° |
| C07 | O02 | C03 | C01 | 4.2° | 16.5° |
| C07 | O02 | C03 | C04 | 175.9° | 163.5° |
| O02 | C07 | H11 | H20 | 118.8° | 122.6° |
| C02 | C01 | C03 | O02 | 179.9° | 179.9° |
| C01 | C02 | C05 | H9 | 180.0° | 180.0° |
| C02 | C01 | C03 | C04 | 0.0° | 0.0° |
| C01 | C02 | C05 | C08 | 179.9° | 179.6° |
| C01 | C02 | C05 | C06 | 0.1° | 0.2° |
| C01 | C03 | O02 | C04 | 179.9° | 180.0° |
| C03 | C01 | C02 | C05 | 0.0° | 0.0° |
| C01 | C03 | C04 | C06 | 0.1° | 0.0° |
| C03 | C01 | C02 | H9 | 180.0° | 180.0° |
| C01 | C03 | C04 | H10 | 179.9° | 180.0° |
| O02 | C03 | C04 | C06 | 180.0° | 180.0° |
| O02 | C03 | C04 | H10 | 0.0° | 0.0° |
| C03 | O02 | C07 | H11 | 113.4° | 144.6° |
| C03 | O02 | C07 | H20 | 127.4° | 92.8° |
| C02 | C05 | C08 | C06 | 179.7° | 179.8° |
| C02 | C05 | C08 | C09 | 106.2° | 103.5° |
| C02 | C05 | C06 | C04 | 0.2° | 0.2° |
| C02 | C05 | C08 | C17 | 151.9° | 149.6° |
| C02 | C05 | C06 | C11 | 179.8° | 179.4° |
| C02 | C05 | C08 | H12 | 24.7° | 23.5° |
| C03 | C04 | C06 | C05 | 0.2° | 0.1° |
| C03 | C04 | C06 | H10 | 180.0° | 180.0° |
| C03 | C04 | C06 | C11 | 179.8° | 179.5° |
| C13 | C12 | C09 | H15 | 180.0° | 180.0° |
| C12 | C13 | O03 | C14 | 121.9° | 119.4° |
| C12 | C13 | O03 | H16 | 119.1° | 120.2° |
| C12 | C13 | C14 | H16 | 120.3° | 119.9° |
| C12 | C13 | C14 | O04 | 86.1° | 172.7° |
| C12 | C13 | O03 | C16 | 167.5° | 90.0° |
| C13 | C12 | C09 | C08 | 179.1° | 178.6° |
| C13 | C12 | C09 | C10 | 0.5° | 0.0° |
| C12 | C13 | C14 | C15 | 33.4° | 51.7° |
| C12 | C13 | C14 | H17 | 153.0° | 69.4° |
| C09 | C12 | C13 | O03 | 119.5° | 171.5° |
| C09 | C12 | C13 | C14 | 0.4° | 51.7° |
| C12 | C09 | C08 | C05 | 121.0° | 103.3° |
| C12 | C09 | C08 | C10 | 178.7° | 178.8° |
| C12 | C09 | C08 | C17 | 131.8° | 146.7° |
| C12 | C09 | C10 | C15 | 31.5° | 50.6° |
| C12 | C09 | C10 | N01 | 148.9° | 169.7° |
| C12 | C09 | C10 | H1 | 93.0° | 70.2° |
| C12 | C09 | C08 | H12 | 9.6° | 23.3° |
| C09 | C12 | C13 | H16 | 120.7° | 68.2° |
| O03 | C13 | C14 | H16 | 119.6° | 120.4° |
| O03 | C13 | C14 | O04 | 153.8° | 67.5° |
| O03 | C13 | C14 | C15 | 86.7° | 171.5° |
| C13 | O03 | C16 | H4 | 180.0° | 60.0° |
| C13 | O03 | C16 | H5 | 60.0° | 180.0° |
| C13 | O03 | C16 | H6 | 60.0° | 60.0° |
| O03 | C13 | C12 | H15 | 60.5° | 8.5° |
| O03 | C13 | C14 | H17 | 32.9° | 50.4° |
| C13 | C14 | O04 | C15 | 119.7° | 123.9° |
| C13 | C14 | O04 | H17 | 119.8° | 118.0° |
| C14 | C13 | O03 | C16 | 70.6° | 150.6° |
| C13 | C14 | C15 | H17 | 119.4° | 121.0° |
| C13 | C14 | C15 | C10 | 67.1° | 2.0° |
| C13 | C14 | C15 | H2 | 52.7° | 118.7° |
| C13 | C14 | C15 | H3 | 173.2° | 122.5° |
| C14 | C13 | C12 | H15 | 179.5° | 128.3° |
| C13 | C14 | O04 | H19 | 180.0° | 60.0° |
| O04 | C14 | C15 | H17 | 121.3° | 118.0° |
| O04 | C14 | C15 | C10 | 52.3° | 122.9° |
| O04 | C14 | C15 | H2 | 172.1° | 2.2° |
| O04 | C14 | C15 | H3 | 67.5° | 116.5° |
| O04 | C14 | C13 | H16 | 34.1° | 52.8° |
| O03 | C16 | H4 | H5 | 120.0° | 120.0° |
| O03 | C16 | H4 | H6 | 120.0° | 120.0° |
| O03 | C16 | H5 | H6 | 120.0° | 120.0° |
| C16 | O03 | C13 | H16 | 48.4° | 30.2° |
| C05 | C08 | C09 | C17 | 107.2° | 110.1° |
| C05 | C08 | C09 | H12 | 130.6° | 126.6° |
| C05 | C08 | C09 | C10 | 60.3° | 77.9° |
| C08 | C05 | C06 | C04 | 180.0° | 179.6° |
| C05 | C08 | C17 | H12 | 127.2° | 125.9° |
| C08 | C05 | C06 | C11 | 0.5° | 0.8° |
| C05 | C08 | C17 | N01 | 68.2° | 67.3° |
| C05 | C08 | C17 | H7 | 50.9° | 50.7° |
| C05 | C08 | C17 | H8 | 172.8° | 174.6° |
| C08 | C05 | C02 | H9 | 0.1° | 0.3° |
| C06 | C05 | C08 | C09 | 73.5° | 76.2° |
| C05 | C06 | C04 | C11 | 179.6° | 179.7° |
| C06 | C05 | C08 | C17 | 28.4° | 30.6° |
| C05 | C06 | C11 | N01 | 12.0° | 8.8° |
| C06 | C05 | C02 | H9 | 179.9° | 179.9° |
| C05 | C06 | C04 | H10 | 179.8° | 179.8° |
| C06 | C05 | C08 | H12 | 155.6° | 156.7° |
| C05 | C06 | C11 | H13 | 130.8° | 129.2° |
| C05 | C06 | C11 | H14 | 106.8° | 111.7° |
| C09 | C08 | C17 | H12 | 122.5° | 123.6° |
| C08 | C09 | C10 | C15 | 147.2° | 128.3° |
| C08 | C09 | C10 | N01 | 29.8° | 9.3° |
| C09 | C08 | C17 | N01 | 42.1° | 43.2° |
| C08 | C09 | C10 | H1 | 88.3° | 110.8° |
| C09 | C08 | C17 | H7 | 161.2° | 161.2° |
| C09 | C08 | C17 | H8 | 76.9° | 74.8° |
| C08 | C09 | C12 | H15 | 0.9° | 1.4° |
| C10 | C09 | C08 | C17 | 46.9° | 32.1° |
| C09 | C10 | C15 | C14 | 64.6° | 45.6° |
| C09 | C10 | C15 | N01 | 107.9° | 115.9° |
| C09 | C10 | C15 | H1 | 124.9° | 121.3° |
| C09 | C10 | N01 | H1 | 119.0° | 120.5° |
| C09 | C10 | N01 | C17 | 0.3° | 18.9° |
| C09 | C10 | N01 | C11 | 116.7° | 97.9° |
| C09 | C10 | C15 | H2 | 55.1° | 166.3° |
| C09 | C10 | C15 | H3 | 175.6° | 74.8° |
| C10 | C09 | C08 | H12 | 169.1° | 155.5° |
| C10 | C09 | C12 | H15 | 179.5° | 179.9° |
| C04 | C06 | C11 | N01 | 168.4° | 171.5° |
| C04 | C06 | C11 | H13 | 49.7° | 51.2° |
| C04 | C06 | C11 | H14 | 72.7° | 68.0° |
| C08 | C17 | N01 | C10 | 27.5° | 38.7° |
| C08 | C17 | N01 | H7 | 119.1° | 118.0° |
| C08 | C17 | N01 | H8 | 119.1° | 118.0° |
| C08 | C17 | N01 | C11 | 88.7° | 80.0° |
| C08 | C17 | H7 | H8 | 122.7° | 124.0° |
| C14 | C15 | C10 | H2 | 119.8° | 120.7° |
| C14 | C15 | C10 | H3 | 119.7° | 120.5° |
| C14 | C15 | C10 | N01 | 172.5° | 161.6° |
| C14 | C15 | C10 | H1 | 60.3° | 75.7° |
| C14 | C15 | H2 | H3 | 120.7° | 118.7° |
| C15 | C14 | C13 | H16 | 153.6° | 68.1° |
| C15 | C14 | O04 | H19 | 60.3° | 176.1° |
| C06 | C11 | N01 | C10 | 63.5° | 66.8° |
| C06 | C11 | N01 | C17 | 52.1° | 49.0° |
| C06 | C11 | N01 | H13 | 118.8° | 120.4° |
| C06 | C11 | N01 | H14 | 118.8° | 120.5° |
| C11 | C06 | C04 | H10 | 0.2° | 0.5° |
| C06 | C11 | H13 | H14 | 123.4° | 119.2° |
| C15 | C10 | N01 | H1 | 127.6° | 122.7° |
| C15 | C10 | N01 | C17 | 113.6° | 97.8° |
| C15 | C10 | N01 | C11 | 130.0° | 145.4° |
| C10 | C15 | H2 | H3 | 120.7° | 118.9° |
| C10 | C15 | C14 | H17 | 173.6° | 119.1° |
| C10 | N01 | C17 | C11 | 116.2° | 118.7° |
| N01 | C10 | C15 | H2 | 52.7° | 77.8° |
| N01 | C10 | C15 | H3 | 67.8° | 41.1° |
| C10 | N01 | C17 | H7 | 146.5° | 156.7° |
| C10 | N01 | C17 | H8 | 91.6° | 79.4° |
| C10 | N01 | C11 | H13 | 55.3° | 53.6° |
| C10 | N01 | C11 | H14 | 177.7° | 172.7° |
| C17 | N01 | C10 | H1 | 118.7° | 139.5° |
| N01 | C17 | H7 | H8 | 122.6° | 124.0° |
| N01 | C17 | C08 | H12 | 164.6° | 166.8° |
| C17 | N01 | C11 | H13 | 170.9° | 169.4° |
| C17 | N01 | C11 | H14 | 66.7° | 71.5° |
| C11 | N01 | C10 | H1 | 2.4° | 22.6° |
| C11 | N01 | C17 | H7 | 30.4° | 38.0° |
| C11 | N01 | C17 | H8 | 152.2° | 162.0° |
| N01 | C11 | H13 | H14 | 123.5° | 119.2° |
| H1 | C10 | C15 | H2 | 180.0° | 45.0° |
| H1 | C10 | C15 | H3 | 59.5° | 163.9° |
| H2 | C15 | C14 | H17 | 66.7° | 120.2° |
| H3 | C15 | C14 | H17 | 53.8° | 1.5° |
| H4 | C16 | H5 | H6 | 120.0° | 120.0° |
| H7 | C17 | C08 | H12 | 76.3° | 75.2° |
| H8 | C17 | C08 | H12 | 45.6° | 48.8° |
| H15 | C12 | C13 | H16 | 59.3° | 111.7° |
| H16 | C13 | C14 | H17 | 86.8° | 170.8° |
| H17 | C14 | O04 | H19 | 60.2° | 58.0° |
