A1L6Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N20 | C19 | sing | 1.37Å | 1.33Å | |
| N21 | C19 | sing | 1.37Å | 1.33Å | |
| C19 | N18 | doub | 1.30Å | 1.27Å | |
| C17 | N18 | sing | 1.47Å | 1.46Å | |
| C17 | C16 | sing | 1.53Å | 1.49Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| O24 | C22 | doub | 1.21Å | 1.25Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| O23 | C22 | sing | 1.34Å | 1.25Å | |
| C22 | C14 | sing | 1.51Å | 1.54Å | |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | N13 | sing | 1.46Å | 1.45Å | |
| C28 | C27 | doub | 1.38Å | 1.37Å | Aromatic |
| C25 | C7 | sing | 1.51Å | 1.52Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | C4 | sing | 1.51Å | 1.52Å | |
| N13 | C11 | sing | 1.35Å | 1.33Å | |
| C8 | O9 | sing | 1.43Å | 1.41Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | O12 | doub | 1.21Å | 1.22Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C6 | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| O9 | C10 | sing | 1.43Å | 1.42Å | |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H15 | sing | 1.08Å | 1.08Å | |
| C3 | H16 | sing | 1.08Å | 1.08Å | |
| N13 | H17 | sing | 0.97Å | 1.00Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| N20 | H22 | sing | 0.97Å | 1.00Å | |
| N20 | H23 | sing | 0.97Å | 1.00Å | |
| N21 | H24 | sing | 0.97Å | 1.00Å | |
| N21 | H25 | sing | 0.97Å | 1.00Å | |
| O23 | H26 | sing | 0.97Å | 0.95Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N20 | C19 | N21 | 118.1° | 120.0° |
| N20 | C19 | N18 | 119.7° | 120.0° |
| C19 | N20 | H22 | 120.0° | 120.0° |
| C19 | N20 | H23 | 120.0° | 120.0° |
| N21 | C19 | N18 | 122.3° | 120.0° |
| C19 | N21 | H24 | 120.0° | 120.0° |
| C19 | N21 | H25 | 120.0° | 120.0° |
| C19 | N18 | C17 | 121.3° | 120.0° |
| N18 | C17 | C16 | 109.6° | 109.5° |
| N18 | C17 | H10 | 109.5° | 109.5° |
| N18 | C17 | H11 | 109.5° | 109.4° |
| C17 | C16 | C15 | 112.8° | 109.4° |
| C16 | C17 | H10 | 109.5° | 109.5° |
| C16 | C17 | H11 | 109.5° | 109.4° |
| C17 | C16 | H19 | 108.6° | 109.5° |
| C17 | C16 | H20 | 108.6° | 109.4° |
| C16 | C15 | C14 | 113.7° | 109.4° |
| C16 | C15 | H8 | 108.4° | 109.4° |
| C16 | C15 | H9 | 108.4° | 109.5° |
| C15 | C16 | H19 | 108.6° | 109.5° |
| C15 | C16 | H20 | 108.7° | 109.5° |
| O24 | C22 | O23 | 125.6° | 120.0° |
| O24 | C22 | C14 | 117.1° | 120.0° |
| C15 | C14 | C22 | 111.6° | 109.5° |
| C15 | C14 | N13 | 111.5° | 109.5° |
| C14 | C15 | H8 | 108.4° | 109.5° |
| C14 | C15 | H9 | 108.4° | 109.5° |
| C15 | C14 | H18 | 107.7° | 109.5° |
| O23 | C22 | C14 | 117.3° | 120.0° |
| C22 | O23 | H26 | 109.5° | 117.0° |
| C22 | C14 | N13 | 109.7° | 109.4° |
| C22 | C14 | H18 | 107.5° | 109.5° |
| C30 | C29 | C28 | 120.3° | 120.0° |
| C29 | C30 | C25 | 120.7° | 120.0° |
| C30 | C29 | H28 | 119.8° | 120.0° |
| C29 | C30 | H29 | 119.7° | 120.0° |
| C29 | C28 | C27 | 119.7° | 120.0° |
| C29 | C28 | H13 | 120.2° | 120.0° |
| C28 | C29 | H28 | 119.9° | 120.0° |
| C30 | C25 | C7 | 120.1° | 120.0° |
| C30 | C25 | C26 | 118.3° | 120.0° |
| C25 | C30 | H29 | 119.6° | 120.0° |
| C14 | N13 | C11 | 122.9° | 120.0° |
| C14 | N13 | H17 | 118.6° | 120.0° |
| N13 | C14 | H18 | 108.6° | 109.5° |
| C28 | C27 | C26 | 120.2° | 120.0° |
| C27 | C28 | H13 | 120.1° | 120.0° |
| C28 | C27 | H27 | 119.9° | 120.0° |
| C7 | C25 | C26 | 121.4° | 120.0° |
| C25 | C7 | C8 | 112.6° | 109.5° |
| C25 | C7 | C4 | 110.2° | 109.5° |
| C25 | C7 | H3 | 105.8° | 109.5° |
| C25 | C26 | C27 | 120.8° | 120.0° |
| C25 | C26 | H12 | 119.6° | 120.0° |
| C8 | C7 | C4 | 115.7° | 109.5° |
| C7 | C8 | O9 | 107.9° | 109.5° |
| C8 | C7 | H3 | 105.9° | 109.5° |
| C7 | C8 | H4 | 109.9° | 109.5° |
| C7 | C8 | H5 | 109.9° | 109.5° |
| C7 | C4 | C5 | 121.2° | 120.0° |
| C7 | C4 | C3 | 120.5° | 120.1° |
| C4 | C7 | H3 | 105.8° | 109.5° |
| N13 | C11 | O12 | 122.9° | 120.0° |
| N13 | C11 | C10 | 116.7° | 120.0° |
| C11 | N13 | H17 | 118.6° | 120.0° |
| C8 | O9 | C10 | 116.0° | 114.0° |
| O9 | C8 | H4 | 109.9° | 109.5° |
| O9 | C8 | H5 | 109.9° | 109.5° |
| C4 | C5 | C6 | 120.8° | 120.0° |
| C5 | C4 | C3 | 118.2° | 119.9° |
| C4 | C5 | H1 | 119.6° | 120.0° |
| C5 | C6 | C1 | 120.2° | 120.0° |
| C6 | C5 | H1 | 119.6° | 120.0° |
| C5 | C6 | H2 | 119.9° | 120.0° |
| C27 | C26 | H12 | 119.6° | 120.0° |
| C26 | C27 | H27 | 119.9° | 120.0° |
| C4 | C3 | C2 | 120.7° | 120.1° |
| C4 | C3 | H16 | 119.6° | 119.9° |
| O12 | C11 | C10 | 120.4° | 120.0° |
| C11 | C10 | O9 | 115.7° | 109.5° |
| C11 | C10 | H6 | 107.9° | 109.5° |
| C11 | C10 | H7 | 107.9° | 109.5° |
| C6 | C1 | C2 | 119.7° | 120.0° |
| C1 | C6 | H2 | 119.9° | 120.0° |
| C6 | C1 | H14 | 120.1° | 120.0° |
| O9 | C10 | H6 | 107.9° | 109.4° |
| O9 | C10 | H7 | 107.9° | 109.5° |
| C3 | C2 | C1 | 120.3° | 120.0° |
| C3 | C2 | H15 | 119.9° | 120.0° |
| C2 | C3 | H16 | 119.6° | 120.0° |
| C2 | C1 | H14 | 120.1° | 120.0° |
| C1 | C2 | H15 | 119.8° | 120.0° |
| H4 | C8 | H5 | 109.5° | 109.4° |
| H6 | C10 | H7 | 109.4° | 109.4° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.4° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| H22 | N20 | H23 | 120.0° | 120.0° |
| H24 | N21 | H25 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N20 | C19 | N21 | N18 | 178.1° | 180.0° |
| N20 | C19 | N18 | C17 | 141.1° | 7.2° |
| C19 | N20 | H22 | H23 | 180.0° | 180.0° |
| N20 | C19 | N21 | H24 | 178.1° | 180.0° |
| N20 | C19 | N21 | H25 | 1.9° | 0.0° |
| N21 | C19 | N18 | C17 | 40.8° | 172.8° |
| N21 | C19 | N20 | H22 | 178.2° | 172.3° |
| N21 | C19 | N20 | H23 | 1.8° | 7.7° |
| C19 | N21 | H24 | H25 | 180.0° | 179.9° |
| C19 | N18 | C17 | C16 | 177.9° | 114.5° |
| C19 | N18 | C17 | H10 | 62.1° | 5.5° |
| C19 | N18 | C17 | H11 | 57.8° | 125.5° |
| N18 | C19 | N20 | H22 | 0.0° | 7.7° |
| N18 | C19 | N20 | H23 | 180.0° | 172.3° |
| N18 | C19 | N21 | H24 | 0.0° | 0.1° |
| N18 | C19 | N21 | H25 | 180.0° | 180.0° |
| N18 | C17 | C16 | H10 | 120.0° | 120.0° |
| N18 | C17 | C16 | H11 | 120.0° | 119.9° |
| N18 | C17 | C16 | C15 | 85.4° | 180.0° |
| N18 | C17 | H10 | H11 | 120.0° | 120.0° |
| N18 | C17 | C16 | H19 | 35.1° | 60.0° |
| N18 | C17 | C16 | H20 | 154.1° | 60.1° |
| C17 | C16 | C15 | H19 | 120.5° | 120.0° |
| C17 | C16 | C15 | H20 | 120.5° | 119.9° |
| C17 | C16 | C15 | C14 | 174.7° | 179.9° |
| C17 | C16 | C15 | H8 | 64.7° | 60.0° |
| C17 | C16 | C15 | H9 | 54.1° | 60.0° |
| C16 | C17 | H10 | H11 | 120.0° | 120.0° |
| C17 | C16 | H19 | H20 | 118.5° | 120.0° |
| C16 | C15 | C14 | H8 | 120.6° | 119.9° |
| C16 | C15 | C14 | H9 | 120.6° | 120.0° |
| C16 | C15 | C14 | C22 | 17.6° | 175.0° |
| C16 | C15 | C14 | N13 | 140.8° | 65.0° |
| C16 | C15 | H8 | H9 | 118.1° | 120.0° |
| C15 | C16 | C17 | H10 | 154.6° | 60.0° |
| C15 | C16 | C17 | H11 | 34.6° | 60.0° |
| C16 | C15 | C14 | H18 | 100.2° | 55.0° |
| C15 | C16 | H19 | H20 | 118.5° | 120.0° |
| O24 | C22 | C14 | C15 | 75.3° | 120.0° |
| O24 | C22 | O23 | C14 | 178.5° | 180.0° |
| O24 | C22 | C14 | N13 | 160.5° | 0.0° |
| O24 | C22 | C14 | H18 | 42.6° | 120.0° |
| O24 | C22 | O23 | H26 | 0.0° | 0.0° |
| C15 | C14 | C22 | O23 | 106.1° | 60.0° |
| C15 | C14 | C22 | N13 | 124.2° | 120.0° |
| C15 | C14 | C22 | H18 | 117.9° | 120.0° |
| C15 | C14 | N13 | H18 | 118.5° | 120.0° |
| C15 | C14 | N13 | C11 | 70.5° | 155.0° |
| C14 | C15 | H8 | H9 | 118.1° | 120.1° |
| C15 | C14 | N13 | H17 | 109.5° | 25.0° |
| C14 | C15 | C16 | H19 | 54.2° | 60.0° |
| C14 | C15 | C16 | H20 | 64.8° | 60.0° |
| O23 | C22 | C14 | N13 | 18.1° | 180.0° |
| O23 | C22 | C14 | H18 | 136.1° | 60.0° |
| C22 | C14 | N13 | H18 | 117.3° | 120.0° |
| C22 | C14 | N13 | C11 | 165.3° | 85.0° |
| C22 | C14 | C15 | H8 | 103.0° | 65.0° |
| C22 | C14 | C15 | H9 | 138.3° | 55.0° |
| C22 | C14 | N13 | H17 | 14.7° | 95.0° |
| C14 | C22 | O23 | H26 | 178.5° | 180.0° |
| C30 | C29 | C28 | H28 | 180.0° | 179.7° |
| C29 | C30 | C25 | H29 | 180.0° | 179.7° |
| C30 | C29 | C28 | C27 | 0.0° | 0.3° |
| C29 | C30 | C25 | C7 | 174.4° | 180.0° |
| C29 | C30 | C25 | C26 | 0.3° | 0.0° |
| C30 | C29 | C28 | H13 | 180.0° | 179.7° |
| C28 | C29 | C30 | C25 | 0.3° | 0.3° |
| C29 | C28 | C27 | H13 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 0.1° | 0.0° |
| C29 | C28 | C27 | H27 | 179.9° | 180.0° |
| C28 | C29 | C30 | H29 | 179.7° | 180.0° |
| C30 | C25 | C7 | C26 | 174.6° | 180.0° |
| C30 | C25 | C7 | C8 | 147.9° | 51.3° |
| C30 | C25 | C7 | C4 | 81.3° | 68.7° |
| C30 | C25 | C26 | C27 | 0.2° | 0.3° |
| C30 | C25 | C7 | H3 | 32.7° | 171.3° |
| C30 | C25 | C26 | H12 | 179.8° | 180.0° |
| C25 | C30 | C29 | H28 | 179.7° | 180.0° |
| C14 | N13 | C11 | H17 | 180.0° | 180.0° |
| C14 | N13 | C11 | O12 | 2.3° | 0.0° |
| C14 | N13 | C11 | C10 | 175.8° | 180.0° |
| N13 | C14 | C15 | H8 | 20.2° | 54.9° |
| N13 | C14 | C15 | H9 | 98.6° | 175.0° |
| C28 | C27 | C26 | C25 | 0.0° | 0.3° |
| C28 | C27 | C26 | H27 | 180.0° | 180.0° |
| C28 | C27 | C26 | H12 | 179.9° | 180.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C25 | C7 | C8 | C4 | 127.9° | 120.0° |
| C25 | C7 | C8 | H3 | 115.2° | 120.0° |
| C25 | C7 | C4 | H3 | 114.0° | 120.0° |
| C25 | C7 | C8 | O9 | 76.9° | 65.0° |
| C25 | C7 | C4 | C5 | 118.6° | 116.4° |
| C7 | C25 | C26 | C27 | 174.5° | 179.7° |
| C25 | C7 | C4 | C3 | 57.9° | 63.9° |
| C25 | C7 | C8 | H4 | 42.9° | 175.0° |
| C25 | C7 | C8 | H5 | 163.3° | 55.0° |
| C7 | C25 | C26 | H12 | 5.5° | 0.0° |
| C7 | C25 | C30 | H29 | 5.6° | 0.3° |
| C26 | C25 | C7 | C8 | 37.5° | 128.7° |
| C26 | C25 | C7 | C4 | 93.3° | 111.3° |
| C25 | C26 | C27 | H12 | 180.0° | 179.7° |
| C26 | C25 | C7 | H3 | 152.7° | 8.7° |
| C25 | C26 | C27 | H27 | 180.0° | 179.7° |
| C26 | C25 | C30 | H29 | 179.7° | 179.7° |
| C8 | C7 | C4 | H3 | 116.9° | 120.0° |
| C7 | C8 | O9 | H4 | 119.7° | 120.0° |
| C7 | C8 | O9 | H5 | 119.8° | 120.0° |
| C8 | C7 | C4 | C5 | 112.3° | 123.6° |
| C8 | C7 | C4 | C3 | 71.2° | 56.1° |
| C7 | C8 | O9 | C10 | 173.9° | 180.0° |
| C7 | C8 | H4 | H5 | 120.7° | 120.0° |
| C4 | C7 | C8 | O9 | 51.0° | 175.0° |
| C7 | C4 | C5 | C3 | 176.6° | 179.7° |
| C7 | C4 | C5 | C6 | 176.5° | 179.7° |
| C7 | C4 | C3 | C2 | 176.5° | 179.8° |
| C7 | C4 | C5 | H1 | 3.5° | 0.2° |
| C4 | C7 | C8 | H4 | 170.8° | 55.0° |
| C4 | C7 | C8 | H5 | 68.8° | 65.0° |
| C7 | C4 | C3 | H16 | 3.5° | 0.3° |
| N13 | C11 | O12 | C10 | 178.0° | 180.0° |
| N13 | C11 | C10 | O9 | 73.8° | 180.0° |
| N13 | C11 | C10 | H6 | 165.3° | 60.0° |
| N13 | C11 | C10 | H7 | 47.1° | 60.0° |
| C11 | N13 | C14 | H18 | 48.0° | 35.0° |
| C8 | O9 | C10 | C11 | 35.7° | 180.0° |
| O9 | C8 | C7 | H3 | 167.9° | 55.0° |
| O9 | C8 | H4 | H5 | 120.8° | 120.0° |
| C8 | O9 | C10 | H6 | 156.7° | 60.0° |
| C8 | O9 | C10 | H7 | 85.2° | 59.9° |
| C4 | C5 | C6 | H1 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.0° | 0.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C5 | C4 | C7 | H3 | 4.6° | 3.6° |
| C5 | C4 | C3 | H16 | 179.9° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C5 | C6 | C1 | H2 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.1° | 0.0° |
| C5 | C6 | C1 | H14 | 180.0° | 180.0° |
| C26 | C27 | C28 | H13 | 179.9° | 180.0° |
| C4 | C3 | C2 | H16 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 0.0° | 0.1° |
| C3 | C4 | C5 | H1 | 180.0° | 180.0° |
| C3 | C4 | C7 | H3 | 171.9° | 176.1° |
| C4 | C3 | C2 | H15 | 180.0° | 180.0° |
| O12 | C11 | C10 | O9 | 108.0° | 0.0° |
| O12 | C11 | C10 | H6 | 12.9° | 120.0° |
| O12 | C11 | C10 | H7 | 131.1° | 120.0° |
| O12 | C11 | N13 | H17 | 177.7° | 180.0° |
| C11 | C10 | O9 | H6 | 120.9° | 120.0° |
| C11 | C10 | O9 | H7 | 120.9° | 120.1° |
| C11 | C10 | H6 | H7 | 117.2° | 120.0° |
| C10 | C11 | N13 | H17 | 4.2° | 0.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.1° |
| C6 | C1 | C2 | H14 | 180.0° | 180.0° |
| C1 | C6 | C5 | H1 | 180.0° | 180.0° |
| C6 | C1 | C2 | H15 | 180.0° | 180.0° |
| C10 | O9 | C8 | H4 | 66.4° | 60.0° |
| C10 | O9 | C8 | H5 | 54.1° | 60.0° |
| O9 | C10 | H6 | H7 | 117.1° | 119.9° |
| C3 | C2 | C1 | H15 | 180.0° | 179.9° |
| C3 | C2 | C1 | H14 | 180.0° | 179.9° |
| C2 | C1 | C6 | H2 | 179.9° | 180.0° |
| C1 | C2 | C3 | H16 | 180.0° | 180.0° |
| H1 | C5 | C6 | H2 | 0.0° | 0.0° |
| H2 | C6 | C1 | H14 | 0.0° | 0.0° |
| H3 | C7 | C8 | H4 | 72.4° | 65.0° |
| H3 | C7 | C8 | H5 | 48.1° | 175.0° |
| H8 | C15 | C14 | H18 | 139.2° | 175.0° |
| H8 | C15 | C16 | H19 | 174.8° | 180.0° |
| H8 | C15 | C16 | H20 | 55.8° | 59.9° |
| H9 | C15 | C14 | H18 | 20.5° | 65.0° |
| H9 | C15 | C16 | H19 | 66.4° | 60.0° |
| H9 | C15 | C16 | H20 | 174.6° | 179.9° |
| H10 | C17 | C16 | H19 | 84.9° | 180.0° |
| H10 | C17 | C16 | H20 | 34.1° | 60.0° |
| H11 | C17 | C16 | H19 | 155.1° | 60.0° |
| H11 | C17 | C16 | H20 | 85.9° | 180.0° |
| H12 | C26 | C27 | H27 | 0.0° | 0.0° |
| H13 | C28 | C27 | H27 | 0.1° | 0.1° |
| H13 | C28 | C29 | H28 | 0.0° | 0.1° |
| H14 | C1 | C2 | H15 | 0.0° | 0.0° |
| H15 | C2 | C3 | H16 | 0.0° | 0.1° |
| H17 | N13 | C14 | H18 | 132.0° | 145.0° |
| H28 | C29 | C30 | H29 | 0.3° | 0.3° |
