A1L4A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C09 | doub | 1.21Å | 1.19Å | |
| O19 | C07 | doub | 1.22Å | 1.19Å | |
| C09 | C14 | sing | 1.51Å | 1.54Å | |
| C09 | C08 | sing | 1.47Å | 1.56Å | |
| C20 | C06 | sing | 1.51Å | 1.53Å | |
| C07 | C08 | sing | 1.47Å | 1.52Å | |
| C07 | C01 | sing | 1.48Å | 1.51Å | |
| C14 | C13 | sing | 1.54Å | 1.50Å | |
| C08 | C11 | doub | 1.37Å | 1.49Å | |
| C06 | C01 | doub | 1.40Å | 1.52Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.54Å | Aromatic |
| C01 | C02 | sing | 1.40Å | 1.51Å | Aromatic |
| O21 | C17 | doub | 1.22Å | 1.18Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | C11 | sing | 1.50Å | 1.51Å | |
| C11 | O18 | sing | 1.34Å | 1.40Å | |
| C05 | C17 | sing | 1.47Å | 1.49Å | |
| C05 | C04 | doub | 1.41Å | 1.48Å | Aromatic |
| C17 | N16 | sing | 1.35Å | 1.48Å | |
| C02 | C03 | doub | 1.37Å | 1.52Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.55Å | Aromatic |
| C04 | N15 | sing | 1.38Å | 1.47Å | |
| N16 | C23 | sing | 1.40Å | 1.45Å | |
| N16 | N15 | sing | 1.40Å | 1.49Å | |
| C28 | C27 | doub | 1.38Å | 1.51Å | Aromatic |
| C28 | C23 | sing | 1.39Å | 1.53Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.52Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.53Å | Aromatic |
| N15 | C22 | sing | 1.47Å | 1.45Å | |
| C30 | O29 | sing | 1.43Å | 1.40Å | |
| C26 | O29 | sing | 1.36Å | 1.40Å | |
| C26 | C25 | doub | 1.39Å | 1.54Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.53Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C28 | H9 | sing | 1.08Å | 1.08Å | |
| C02 | H10 | sing | 1.08Å | 1.08Å | |
| C03 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| O18 | H22 | sing | 0.97Å | 0.95Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C09 | C14 | 117.8° | 121.2° |
| O10 | C09 | C08 | 121.4° | 121.2° |
| O19 | C07 | C08 | 119.5° | 120.0° |
| O19 | C07 | C01 | 112.3° | 120.0° |
| C14 | C09 | C08 | 120.8° | 117.7° |
| C09 | C14 | C13 | 115.6° | 107.5° |
| C09 | C14 | H16 | 107.9° | 109.9° |
| C09 | C14 | H12 | 107.9° | 109.8° |
| C09 | C08 | C07 | 113.5° | 119.9° |
| C09 | C08 | C11 | 115.3° | 120.1° |
| C20 | C06 | C01 | 121.0° | 120.3° |
| C20 | C06 | C05 | 120.4° | 120.3° |
| C06 | C20 | H2 | 109.5° | 109.4° |
| C06 | C20 | H3 | 109.5° | 109.5° |
| C06 | C20 | H4 | 109.5° | 109.5° |
| C08 | C07 | C01 | 128.2° | 120.0° |
| C07 | C08 | C11 | 117.2° | 120.0° |
| C07 | C01 | C06 | 119.7° | 120.0° |
| C07 | C01 | C02 | 118.1° | 120.0° |
| C14 | C13 | C12 | 115.8° | 109.2° |
| C14 | C13 | H1 | 107.8° | 109.5° |
| C13 | C14 | H16 | 107.9° | 109.9° |
| C14 | C13 | H23 | 107.8° | 109.6° |
| C13 | C14 | H12 | 107.9° | 109.8° |
| C08 | C11 | C12 | 109.2° | 122.6° |
| C08 | C11 | O18 | 120.2° | 118.7° |
| C01 | C06 | C05 | 118.6° | 119.4° |
| C06 | C01 | C02 | 122.0° | 120.0° |
| C06 | C05 | C17 | 132.0° | 133.4° |
| C06 | C05 | C04 | 119.7° | 120.0° |
| C01 | C02 | C03 | 119.3° | 120.6° |
| C01 | C02 | H10 | 120.3° | 119.7° |
| O21 | C17 | C05 | 126.7° | 126.5° |
| O21 | C17 | N16 | 126.2° | 126.5° |
| C13 | C12 | C11 | 112.3° | 111.1° |
| C12 | C13 | H1 | 107.9° | 109.5° |
| C13 | C12 | H14 | 108.8° | 109.1° |
| C13 | C12 | H15 | 108.8° | 109.1° |
| C12 | C13 | H23 | 107.8° | 109.5° |
| C12 | C11 | O18 | 118.6° | 118.7° |
| C11 | C12 | H14 | 108.8° | 109.2° |
| C11 | C12 | H15 | 108.8° | 109.2° |
| C11 | O18 | H22 | 109.5° | 117.0° |
| C17 | C05 | C04 | 108.4° | 106.6° |
| C05 | C17 | N16 | 107.1° | 107.0° |
| C05 | C04 | C03 | 121.7° | 119.8° |
| C05 | C04 | N15 | 108.4° | 107.4° |
| C17 | N16 | C23 | 125.4° | 125.3° |
| C17 | N16 | N15 | 108.4° | 109.5° |
| C02 | C03 | C04 | 118.7° | 120.3° |
| C03 | C02 | H10 | 120.4° | 119.7° |
| C02 | C03 | H11 | 120.6° | 119.9° |
| C03 | C04 | N15 | 129.9° | 132.9° |
| C04 | C03 | H11 | 120.7° | 119.9° |
| C04 | N15 | N16 | 107.7° | 109.6° |
| C04 | N15 | C22 | 123.7° | 125.2° |
| C23 | N16 | N15 | 125.9° | 125.3° |
| N16 | C23 | C28 | 110.8° | 120.0° |
| N16 | C23 | C24 | 128.6° | 120.0° |
| N16 | N15 | C22 | 128.6° | 125.3° |
| C27 | C28 | C23 | 121.8° | 120.0° |
| C28 | C27 | C26 | 118.2° | 120.0° |
| C27 | C28 | H9 | 119.1° | 120.0° |
| C28 | C27 | H18 | 120.9° | 120.0° |
| C28 | C23 | C24 | 120.5° | 120.0° |
| C23 | C28 | H9 | 119.1° | 120.0° |
| C27 | C26 | O29 | 117.3° | 120.0° |
| C27 | C26 | C25 | 120.9° | 120.0° |
| C26 | C27 | H18 | 120.9° | 120.0° |
| C23 | C24 | C25 | 117.6° | 120.0° |
| C23 | C24 | H8 | 121.2° | 120.0° |
| N15 | C22 | H5 | 109.5° | 109.5° |
| N15 | C22 | H6 | 109.5° | 109.4° |
| N15 | C22 | H7 | 109.5° | 109.5° |
| C30 | O29 | C26 | 113.9° | 116.9° |
| O29 | C30 | H19 | 109.5° | 109.5° |
| O29 | C30 | H20 | 109.5° | 109.5° |
| O29 | C30 | H21 | 109.5° | 109.4° |
| O29 | C26 | C25 | 121.8° | 120.0° |
| C26 | C25 | C24 | 121.0° | 120.0° |
| C26 | C25 | H17 | 119.5° | 120.0° |
| C25 | C24 | H8 | 121.2° | 120.0° |
| C24 | C25 | H17 | 119.5° | 120.0° |
| H1 | C13 | H23 | 109.5° | 109.6° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H2 | C20 | H4 | 109.5° | 109.5° |
| H3 | C20 | H4 | 109.4° | 109.5° |
| H5 | C22 | H6 | 109.5° | 109.4° |
| H5 | C22 | H7 | 109.4° | 109.5° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.4° | 109.1° |
| H16 | C14 | H12 | 109.5° | 109.9° |
| H19 | C30 | H20 | 109.5° | 109.5° |
| H19 | C30 | H21 | 109.5° | 109.5° |
| H20 | C30 | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C09 | C14 | C08 | 179.5° | 179.9° |
| O10 | C09 | C08 | C07 | 38.0° | 11.7° |
| O10 | C09 | C14 | C13 | 163.0° | 137.3° |
| O10 | C09 | C08 | C11 | 177.2° | 168.1° |
| O10 | C09 | C14 | H16 | 42.1° | 103.2° |
| O10 | C09 | C14 | H12 | 76.1° | 17.8° |
| O19 | C07 | C08 | C09 | 25.3° | 110.1° |
| O19 | C07 | C08 | C01 | 177.3° | 179.9° |
| O19 | C07 | C08 | C11 | 163.6° | 69.7° |
| O19 | C07 | C01 | C06 | 95.3° | 6.0° |
| O19 | C07 | C01 | C02 | 79.4° | 174.0° |
| C14 | C09 | C08 | C07 | 141.5° | 168.2° |
| C09 | C14 | C13 | H16 | 120.9° | 119.5° |
| C09 | C14 | C13 | H12 | 120.9° | 119.4° |
| C14 | C09 | C08 | C11 | 2.3° | 11.9° |
| C09 | C14 | C13 | C12 | 4.3° | 63.3° |
| C09 | C14 | C13 | H1 | 125.2° | 176.9° |
| C09 | C14 | H16 | H12 | 117.2° | 121.0° |
| C09 | C14 | C13 | H23 | 116.6° | 56.7° |
| C09 | C08 | C07 | C11 | 138.3° | 179.9° |
| C09 | C08 | C07 | C01 | 157.5° | 69.9° |
| C08 | C09 | C14 | C13 | 17.5° | 42.8° |
| C09 | C08 | C11 | C12 | 42.3° | 0.7° |
| C09 | C08 | C11 | O18 | 175.4° | 179.4° |
| C08 | C09 | C14 | H16 | 138.4° | 76.7° |
| C08 | C09 | C14 | H12 | 103.4° | 162.2° |
| C20 | C06 | C01 | C07 | 4.0° | 0.0° |
| C20 | C06 | C01 | C05 | 179.2° | 179.9° |
| C20 | C06 | C01 | C02 | 178.5° | 180.0° |
| C20 | C06 | C05 | C17 | 0.3° | 0.0° |
| C20 | C06 | C05 | C04 | 179.8° | 179.9° |
| C06 | C20 | H2 | H3 | 120.0° | 120.0° |
| C06 | C20 | H2 | H4 | 120.0° | 120.0° |
| C06 | C20 | H3 | H4 | 120.0° | 120.1° |
| C08 | C07 | C01 | C06 | 82.1° | 174.1° |
| C08 | C07 | C01 | C02 | 103.2° | 5.9° |
| C07 | C08 | C11 | C12 | 179.9° | 179.4° |
| C07 | C08 | C11 | O18 | 37.8° | 0.4° |
| C01 | C07 | C08 | C11 | 19.1° | 110.2° |
| C07 | C01 | C06 | C02 | 174.5° | 180.0° |
| C07 | C01 | C06 | C05 | 176.7° | 180.0° |
| C07 | C01 | C02 | C03 | 176.8° | 179.9° |
| C07 | C01 | C02 | H10 | 3.2° | 0.0° |
| C14 | C13 | C12 | H1 | 120.9° | 119.9° |
| C14 | C13 | C12 | H23 | 120.9° | 120.0° |
| C14 | C13 | C12 | C11 | 45.7° | 53.5° |
| C14 | C13 | H1 | H23 | 117.1° | 120.2° |
| C14 | C13 | C12 | H14 | 74.8° | 173.9° |
| C14 | C13 | C12 | H15 | 166.1° | 67.0° |
| C13 | C14 | H16 | H12 | 117.2° | 121.0° |
| C08 | C11 | C12 | C13 | 65.0° | 22.1° |
| C08 | C11 | C12 | O18 | 143.0° | 179.9° |
| C08 | C11 | C12 | H14 | 55.5° | 142.5° |
| C08 | C11 | C12 | H15 | 174.6° | 98.3° |
| C08 | C11 | O18 | H22 | 180.0° | 5.0° |
| C01 | C06 | C05 | C17 | 178.9° | 180.0° |
| C01 | C06 | C05 | C04 | 1.0° | 0.0° |
| C06 | C01 | C02 | C03 | 2.2° | 0.1° |
| C01 | C06 | C20 | H2 | 89.6° | 83.1° |
| C01 | C06 | C20 | H3 | 150.4° | 157.0° |
| C01 | C06 | C20 | H4 | 30.4° | 36.9° |
| C06 | C01 | C02 | H10 | 177.7° | 179.9° |
| C05 | C06 | C01 | C02 | 2.3° | 0.0° |
| C06 | C05 | C17 | O21 | 0.2° | 0.2° |
| C06 | C05 | C17 | C04 | 179.9° | 180.0° |
| C06 | C05 | C17 | N16 | 178.7° | 180.0° |
| C06 | C05 | C04 | C03 | 0.1° | 0.0° |
| C06 | C05 | C04 | N15 | 179.8° | 180.0° |
| C05 | C06 | C20 | H2 | 89.6° | 97.0° |
| C05 | C06 | C20 | H3 | 30.4° | 23.0° |
| C05 | C06 | C20 | H4 | 150.4° | 143.0° |
| C01 | C02 | C03 | H10 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 1.0° | 0.1° |
| C01 | C02 | C03 | H11 | 179.0° | 180.0° |
| O21 | C17 | C05 | N16 | 178.5° | 179.7° |
| O21 | C17 | C05 | C04 | 179.8° | 179.7° |
| O21 | C17 | N16 | C23 | 5.7° | 0.3° |
| O21 | C17 | N16 | N15 | 179.7° | 179.8° |
| C13 | C12 | C11 | H14 | 120.5° | 120.4° |
| C13 | C12 | C11 | H15 | 120.4° | 120.4° |
| C13 | C12 | C11 | O18 | 152.0° | 158.0° |
| C12 | C13 | H1 | H23 | 117.1° | 120.1° |
| C13 | C12 | H14 | H15 | 118.7° | 119.1° |
| C12 | C13 | C14 | H16 | 116.6° | 56.3° |
| C12 | C13 | C14 | H12 | 125.1° | 177.3° |
| C11 | C12 | C13 | H1 | 166.6° | 173.3° |
| C11 | C12 | H14 | H15 | 118.7° | 119.3° |
| C12 | C11 | O18 | H22 | 41.1° | 175.1° |
| C11 | C12 | C13 | H23 | 75.2° | 66.5° |
| O18 | C11 | C12 | H14 | 87.5° | 37.6° |
| O18 | C11 | C12 | H15 | 31.6° | 81.6° |
| C17 | C05 | C04 | C03 | 179.9° | 180.0° |
| C17 | C05 | C04 | N15 | 0.2° | 0.1° |
| C05 | C17 | N16 | C23 | 175.8° | 179.9° |
| C05 | C17 | N16 | N15 | 1.8° | 0.0° |
| C04 | C05 | C17 | N16 | 1.2° | 0.0° |
| C05 | C04 | C03 | C02 | 0.2° | 0.0° |
| C05 | C04 | C03 | N15 | 179.9° | 179.9° |
| C05 | C04 | N15 | N16 | 0.9° | 0.1° |
| C05 | C04 | N15 | C22 | 180.0° | 180.0° |
| C05 | C04 | C03 | H11 | 179.8° | 179.9° |
| C17 | N16 | N15 | C04 | 1.7° | 0.1° |
| C17 | N16 | C23 | N15 | 173.0° | 179.9° |
| C17 | N16 | C23 | C28 | 115.3° | 50.8° |
| C17 | N16 | C23 | C24 | 60.7° | 129.1° |
| C17 | N16 | N15 | C22 | 179.3° | 180.0° |
| C02 | C03 | C04 | H11 | 180.0° | 179.9° |
| C02 | C03 | C04 | N15 | 179.7° | 179.9° |
| C03 | C04 | N15 | N16 | 179.0° | 180.0° |
| C03 | C04 | N15 | C22 | 0.1° | 0.0° |
| C04 | C03 | C02 | H10 | 179.0° | 180.0° |
| C04 | N15 | N16 | C23 | 175.7° | 180.0° |
| C04 | N15 | N16 | C22 | 179.0° | 180.0° |
| C04 | N15 | C22 | H5 | 180.0° | 95.1° |
| C04 | N15 | C22 | H6 | 60.0° | 144.9° |
| C04 | N15 | C22 | H7 | 60.0° | 24.9° |
| N15 | C04 | C03 | H11 | 0.3° | 0.0° |
| N16 | C23 | C28 | C27 | 178.9° | 179.4° |
| N16 | C23 | C28 | C24 | 176.4° | 179.9° |
| C23 | N16 | N15 | C22 | 5.4° | 0.1° |
| N16 | C23 | C24 | C25 | 177.9° | 180.0° |
| N16 | C23 | C24 | H8 | 2.2° | 0.3° |
| N16 | C23 | C28 | H9 | 1.1° | 0.2° |
| N15 | N16 | C23 | C28 | 57.7° | 129.1° |
| N15 | N16 | C23 | C24 | 126.3° | 51.0° |
| N16 | N15 | C22 | H5 | 1.2° | 84.8° |
| N16 | N15 | C22 | H6 | 118.8° | 35.1° |
| N16 | N15 | C22 | H7 | 121.2° | 155.1° |
| C27 | C28 | C23 | H9 | 180.0° | 179.1° |
| C28 | C27 | C26 | H18 | 180.0° | 179.1° |
| C27 | C28 | C23 | C24 | 2.6° | 0.6° |
| C28 | C27 | C26 | O29 | 179.8° | 179.4° |
| C28 | C27 | C26 | C25 | 0.1° | 0.6° |
| C23 | C28 | C27 | C26 | 1.5° | 0.9° |
| C28 | C23 | C24 | C25 | 2.2° | 0.0° |
| C28 | C23 | C24 | H8 | 177.8° | 179.7° |
| C23 | C28 | C27 | H18 | 178.5° | 180.0° |
| C27 | C26 | O29 | C30 | 2.5° | 0.0° |
| C27 | C26 | O29 | C25 | 179.9° | 180.0° |
| C27 | C26 | C25 | C24 | 0.1° | 0.0° |
| C26 | C27 | C28 | H9 | 178.5° | 180.0° |
| C27 | C26 | C25 | H17 | 179.9° | 180.0° |
| C23 | C24 | C25 | C26 | 0.9° | 0.3° |
| C23 | C24 | C25 | H8 | 180.0° | 179.7° |
| C24 | C23 | C28 | H9 | 177.4° | 179.7° |
| C23 | C24 | C25 | H17 | 179.1° | 179.7° |
| N15 | C22 | H5 | H6 | 120.0° | 119.9° |
| N15 | C22 | H5 | H7 | 120.0° | 120.0° |
| N15 | C22 | H6 | H7 | 120.0° | 120.0° |
| C30 | O29 | C26 | C25 | 177.6° | 180.0° |
| O29 | C30 | H19 | H20 | 120.0° | 120.0° |
| O29 | C30 | H19 | H21 | 120.0° | 120.0° |
| O29 | C30 | H20 | H21 | 120.0° | 119.9° |
| O29 | C26 | C25 | C24 | 179.9° | 180.0° |
| O29 | C26 | C25 | H17 | 0.1° | 0.0° |
| O29 | C26 | C27 | H18 | 0.2° | 0.3° |
| C26 | O29 | C30 | H19 | 180.0° | 60.0° |
| C26 | O29 | C30 | H20 | 60.0° | 60.0° |
| C26 | O29 | C30 | H21 | 60.0° | 180.0° |
| C26 | C25 | C24 | H17 | 180.0° | 180.0° |
| C26 | C25 | C24 | H8 | 179.1° | 180.0° |
| C25 | C26 | C27 | H18 | 179.9° | 179.7° |
| H1 | C13 | C12 | H14 | 46.1° | 66.3° |
| H1 | C13 | C12 | H15 | 73.0° | 52.8° |
| H1 | C13 | C14 | H16 | 4.3° | 63.6° |
| H1 | C13 | C14 | H12 | 113.9° | 57.4° |
| H2 | C20 | H3 | H4 | 120.0° | 120.0° |
| H5 | C22 | H6 | H7 | 120.0° | 120.0° |
| H8 | C24 | C25 | H17 | 0.9° | 0.0° |
| H9 | C28 | C27 | H18 | 1.5° | 0.9° |
| H10 | C02 | C03 | H11 | 1.0° | 0.1° |
| H14 | C12 | C13 | H23 | 164.3° | 53.9° |
| H15 | C12 | C13 | H23 | 45.2° | 173.0° |
| H16 | C14 | C13 | H23 | 122.5° | 176.2° |
| H19 | C30 | H20 | H21 | 120.0° | 120.0° |
| H23 | C13 | C14 | H12 | 4.2° | 62.8° |
