AEL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | doub | 1.37Å | 1.35Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.41Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.37Å | Aromatic |
| C1 | C10 | doub | 1.41Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.37Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | C11 | sing | 1.47Å | 1.47Å | |
| C6 | C7 | doub | 1.41Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| O15 | C11 | doub | 1.22Å | 1.20Å | |
| C11 | N12 | sing | 1.35Å | 1.39Å | |
| C7 | C8 | sing | 1.39Å | 1.37Å | Aromatic |
| C7 | C13 | sing | 1.47Å | 1.47Å | |
| N12 | C13 | sing | 1.35Å | 1.39Å | |
| N12 | C16 | sing | 1.46Å | 1.45Å | |
| C13 | O14 | doub | 1.22Å | 1.20Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | sing | 1.51Å | 1.49Å | |
| N22 | C18 | doub | 1.30Å | 1.31Å | Aromatic |
| N22 | C21 | sing | 1.36Å | 1.38Å | Aromatic |
| C18 | N19 | sing | 1.36Å | 1.36Å | Aromatic |
| C21 | C26 | doub | 1.40Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.41Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.37Å | Aromatic |
| C32 | C27 | sing | 1.39Å | 1.36Å | Aromatic |
| N19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| N19 | C27 | sing | 1.40Å | 1.43Å | |
| C20 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | C33 | sing | 1.51Å | 1.51Å | |
| C25 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | N30 | sing | 1.32Å | 1.34Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| N30 | C29 | doub | 1.32Å | 1.32Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C28 | H14 | sing | 1.08Å | 1.08Å | |
| C29 | H15 | sing | 1.08Å | 1.08Å | |
| C31 | H16 | sing | 1.08Å | 1.08Å | |
| C32 | H17 | sing | 1.08Å | 1.08Å | |
| C33 | H18 | sing | 1.09Å | 1.10Å | |
| C33 | H19 | sing | 1.09Å | 1.10Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | C4 | 121.1° | 121.6° |
| C3 | C2 | C1 | 120.7° | 120.0° |
| C3 | C2 | H1 | 119.7° | 120.0° |
| C2 | C3 | H2 | 119.4° | 119.2° |
| C3 | C4 | C5 | 120.0° | 120.1° |
| C4 | C3 | H2 | 119.5° | 119.2° |
| C3 | C4 | H3 | 120.0° | 119.9° |
| C2 | C1 | C10 | 122.7° | 122.2° |
| C2 | C1 | C6 | 118.5° | 118.9° |
| C1 | C2 | H1 | 119.7° | 120.0° |
| C4 | C5 | C6 | 120.1° | 119.1° |
| C4 | C5 | C11 | 119.8° | 122.2° |
| C5 | C4 | H3 | 120.0° | 120.0° |
| C10 | C1 | C6 | 118.6° | 118.9° |
| C1 | C10 | C9 | 120.6° | 120.0° |
| C1 | C10 | H6 | 119.7° | 120.0° |
| C1 | C6 | C5 | 119.5° | 120.3° |
| C1 | C6 | C7 | 119.4° | 120.2° |
| C10 | C9 | C8 | 121.0° | 121.6° |
| C10 | C9 | H5 | 119.5° | 119.2° |
| C9 | C10 | H6 | 119.7° | 120.0° |
| C6 | C5 | C11 | 120.0° | 118.7° |
| C5 | C6 | C7 | 121.0° | 119.5° |
| C5 | C11 | O15 | 123.0° | 119.8° |
| C5 | C11 | N12 | 117.0° | 120.4° |
| C6 | C7 | C8 | 120.2° | 119.1° |
| C6 | C7 | C13 | 119.9° | 118.6° |
| C9 | C8 | C7 | 120.2° | 120.2° |
| C9 | C8 | H4 | 119.9° | 119.9° |
| C8 | C9 | H5 | 119.5° | 119.2° |
| O15 | C11 | N12 | 120.1° | 119.8° |
| C11 | N12 | C13 | 125.1° | 122.4° |
| C11 | N12 | C16 | 117.1° | 118.8° |
| C8 | C7 | C13 | 119.8° | 122.3° |
| C7 | C8 | H4 | 119.9° | 120.0° |
| C7 | C13 | N12 | 116.9° | 120.4° |
| C7 | C13 | O14 | 122.7° | 119.8° |
| C13 | N12 | C16 | 117.7° | 118.8° |
| N12 | C13 | O14 | 120.4° | 119.8° |
| N12 | C16 | C17 | 112.4° | 109.5° |
| N12 | C16 | H7 | 108.7° | 109.5° |
| N12 | C16 | H8 | 108.7° | 109.4° |
| C16 | C17 | C18 | 110.0° | 109.5° |
| C17 | C16 | H7 | 108.7° | 109.5° |
| C17 | C16 | H8 | 108.7° | 109.5° |
| C16 | C17 | H9 | 109.3° | 109.4° |
| C16 | C17 | H10 | 109.3° | 109.5° |
| C17 | C18 | N22 | 124.9° | 125.0° |
| C17 | C18 | N19 | 122.1° | 125.0° |
| C18 | C17 | H9 | 109.3° | 109.5° |
| C18 | C17 | H10 | 109.3° | 109.5° |
| C18 | N22 | C21 | 104.8° | 109.7° |
| N22 | C18 | N19 | 113.0° | 110.1° |
| N22 | C21 | C26 | 130.6° | 133.6° |
| N22 | C21 | C20 | 110.4° | 107.0° |
| C18 | N19 | C20 | 106.5° | 107.3° |
| C18 | N19 | C27 | 129.6° | 126.4° |
| C26 | C21 | C20 | 118.9° | 119.5° |
| C21 | C26 | C25 | 120.6° | 119.7° |
| C21 | C26 | H13 | 119.7° | 120.1° |
| C21 | C20 | N19 | 105.3° | 106.0° |
| C21 | C20 | C23 | 122.3° | 120.0° |
| C26 | C25 | C33 | 120.6° | 119.7° |
| C26 | C25 | C24 | 118.8° | 120.6° |
| C25 | C26 | H13 | 119.7° | 120.1° |
| C31 | C32 | C27 | 118.6° | 119.1° |
| C32 | C31 | N30 | 123.7° | 120.8° |
| C32 | C31 | H16 | 118.2° | 119.6° |
| C31 | C32 | H17 | 120.7° | 120.5° |
| C32 | C27 | N19 | 121.0° | 120.9° |
| C32 | C27 | C28 | 118.6° | 118.3° |
| C27 | C32 | H17 | 120.7° | 120.5° |
| C20 | N19 | C27 | 123.5° | 126.4° |
| N19 | C20 | C23 | 132.1° | 134.1° |
| N19 | C27 | C28 | 120.3° | 120.8° |
| C20 | C23 | C24 | 117.7° | 119.8° |
| C20 | C23 | H11 | 121.1° | 120.1° |
| C33 | C25 | C24 | 120.6° | 119.7° |
| C25 | C33 | H18 | 109.5° | 109.5° |
| C25 | C33 | H19 | 109.5° | 109.5° |
| C25 | C33 | H20 | 109.5° | 109.5° |
| C25 | C24 | C23 | 121.8° | 120.4° |
| C25 | C24 | H12 | 119.1° | 119.8° |
| C31 | N30 | C29 | 116.8° | 121.9° |
| N30 | C31 | H16 | 118.2° | 119.6° |
| C27 | C28 | C29 | 119.1° | 119.1° |
| C27 | C28 | H14 | 120.5° | 120.5° |
| C24 | C23 | H11 | 121.2° | 120.0° |
| C23 | C24 | H12 | 119.1° | 119.8° |
| N30 | C29 | C28 | 123.2° | 120.8° |
| N30 | C29 | H15 | 118.4° | 119.6° |
| C29 | C28 | H14 | 120.5° | 120.4° |
| C28 | C29 | H15 | 118.4° | 119.6° |
| H7 | C16 | H8 | 109.5° | 109.5° |
| H9 | C17 | H10 | 109.5° | 109.4° |
| H18 | C33 | H19 | 109.5° | 109.4° |
| H18 | C33 | H20 | 109.5° | 109.5° |
| H19 | C33 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.8° | 0.2° |
| C3 | C2 | C1 | C10 | 174.9° | 180.0° |
| C3 | C2 | C1 | C6 | 0.3° | 0.1° |
| C2 | C3 | C4 | H3 | 178.1° | 180.0° |
| C4 | C3 | C2 | C1 | 1.7° | 0.2° |
| C3 | C4 | C5 | H3 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C3 | C4 | C5 | C11 | 176.5° | 179.9° |
| C4 | C3 | C2 | H1 | 178.4° | 179.9° |
| C2 | C1 | C10 | C6 | 174.6° | 179.9° |
| C2 | C1 | C10 | C9 | 173.5° | 180.0° |
| C2 | C1 | C6 | C5 | 2.0° | 0.0° |
| C2 | C1 | C6 | C7 | 174.1° | 180.0° |
| C1 | C2 | C3 | H2 | 178.4° | 180.0° |
| C2 | C1 | C10 | H6 | 6.4° | 0.0° |
| C4 | C5 | C6 | C1 | 1.8° | 0.0° |
| C4 | C5 | C6 | C11 | 176.5° | 180.0° |
| C4 | C5 | C6 | C7 | 174.2° | 180.0° |
| C4 | C5 | C11 | O15 | 5.3° | 0.2° |
| C4 | C5 | C11 | N12 | 175.5° | 180.0° |
| C5 | C4 | C3 | H2 | 178.2° | 180.0° |
| C1 | C10 | C9 | H6 | 180.0° | 180.0° |
| C10 | C1 | C6 | C5 | 176.8° | 180.0° |
| C10 | C1 | C6 | C7 | 0.7° | 0.1° |
| C1 | C10 | C9 | C8 | 0.7° | 0.0° |
| C10 | C1 | C2 | H1 | 5.1° | 0.0° |
| C1 | C10 | C9 | H5 | 179.2° | 179.9° |
| C6 | C1 | C10 | C9 | 1.1° | 0.1° |
| C1 | C6 | C5 | C7 | 176.0° | 179.9° |
| C1 | C6 | C5 | C11 | 178.3° | 180.0° |
| C1 | C6 | C7 | C8 | 0.0° | 0.1° |
| C1 | C6 | C7 | C13 | 177.7° | 180.0° |
| C6 | C1 | C2 | H1 | 179.7° | 179.9° |
| C6 | C1 | C10 | H6 | 178.9° | 180.0° |
| C10 | C9 | C8 | H5 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.0° | 0.0° |
| C10 | C9 | C8 | H4 | 180.0° | 180.0° |
| C6 | C5 | C11 | O15 | 178.2° | 179.8° |
| C6 | C5 | C11 | N12 | 1.1° | 0.0° |
| C5 | C6 | C7 | C8 | 176.0° | 180.0° |
| C5 | C6 | C7 | C13 | 1.7° | 0.0° |
| C6 | C5 | C4 | H3 | 179.9° | 179.9° |
| C11 | C5 | C6 | C7 | 2.3° | 0.0° |
| C5 | C11 | O15 | N12 | 179.2° | 179.8° |
| C5 | C11 | N12 | C13 | 0.8° | 0.1° |
| C5 | C11 | N12 | C16 | 175.5° | 179.7° |
| C11 | C5 | C4 | H3 | 3.6° | 0.1° |
| C6 | C7 | C8 | C9 | 0.3° | 0.0° |
| C6 | C7 | C8 | C13 | 177.7° | 180.0° |
| C6 | C7 | C13 | N12 | 0.2° | 0.0° |
| C6 | C7 | C13 | O14 | 179.7° | 179.9° |
| C6 | C7 | C8 | H4 | 179.6° | 180.0° |
| C9 | C8 | C7 | H4 | 180.0° | 180.0° |
| C9 | C8 | C7 | C13 | 178.1° | 180.0° |
| C8 | C9 | C10 | H6 | 179.3° | 180.0° |
| O15 | C11 | N12 | C13 | 179.9° | 179.7° |
| O15 | C11 | N12 | C16 | 3.8° | 0.1° |
| C11 | N12 | C13 | C7 | 1.4° | 0.1° |
| C11 | N12 | C13 | C16 | 176.3° | 179.6° |
| C11 | N12 | C13 | O14 | 178.4° | 180.0° |
| C11 | N12 | C16 | C17 | 128.0° | 90.0° |
| C11 | N12 | C16 | H7 | 111.6° | 150.0° |
| C11 | N12 | C16 | H8 | 7.5° | 30.0° |
| C8 | C7 | C13 | N12 | 177.9° | 179.9° |
| C8 | C7 | C13 | O14 | 2.0° | 0.0° |
| C7 | C8 | C9 | H5 | 180.0° | 180.0° |
| C7 | C13 | N12 | O14 | 179.8° | 179.9° |
| C7 | C13 | N12 | C16 | 174.9° | 179.7° |
| C13 | C7 | C8 | H4 | 1.9° | 0.0° |
| C13 | N12 | C16 | C17 | 55.4° | 90.4° |
| C13 | N12 | C16 | H7 | 65.0° | 29.7° |
| C13 | N12 | C16 | H8 | 175.9° | 149.7° |
| C16 | N12 | C13 | O14 | 5.3° | 0.4° |
| N12 | C16 | C17 | H7 | 120.4° | 120.0° |
| N12 | C16 | C17 | H8 | 120.4° | 120.0° |
| N12 | C16 | C17 | C18 | 174.4° | 180.0° |
| N12 | C16 | H7 | H8 | 118.6° | 120.0° |
| N12 | C16 | C17 | H9 | 54.3° | 60.0° |
| N12 | C16 | C17 | H10 | 65.5° | 59.9° |
| C16 | C17 | C18 | H9 | 120.1° | 120.0° |
| C16 | C17 | C18 | H10 | 120.1° | 120.0° |
| C16 | C17 | C18 | N22 | 84.0° | 90.3° |
| C16 | C17 | C18 | N19 | 95.8° | 90.1° |
| C17 | C16 | H7 | H8 | 118.7° | 120.0° |
| C16 | C17 | H9 | H10 | 119.8° | 120.0° |
| C17 | C18 | N22 | N19 | 179.9° | 179.7° |
| C17 | C18 | N22 | C21 | 179.9° | 179.7° |
| C17 | C18 | N19 | C20 | 179.7° | 180.0° |
| C17 | C18 | N19 | C27 | 7.6° | 0.0° |
| C18 | C17 | C16 | H7 | 65.2° | 60.0° |
| C18 | C17 | C16 | H8 | 53.9° | 60.0° |
| C18 | C17 | H9 | H10 | 119.7° | 120.1° |
| C18 | N22 | C21 | C26 | 175.6° | 179.8° |
| C18 | N22 | C21 | C20 | 0.2° | 0.2° |
| N22 | C18 | N19 | C20 | 0.2° | 0.3° |
| N22 | C18 | N19 | C27 | 172.5° | 179.7° |
| N22 | C18 | C17 | H9 | 155.9° | 29.7° |
| N22 | C18 | C17 | H10 | 36.1° | 149.7° |
| C21 | N22 | C18 | N19 | 0.0° | 0.0° |
| N22 | C21 | C26 | C20 | 175.4° | 180.0° |
| N22 | C21 | C26 | C25 | 174.6° | 179.0° |
| N22 | C21 | C20 | N19 | 0.3° | 0.4° |
| N22 | C21 | C20 | C23 | 175.5° | 179.9° |
| N22 | C21 | C26 | H13 | 5.5° | 0.1° |
| C18 | N19 | C20 | C21 | 0.3° | 0.4° |
| C18 | N19 | C27 | C32 | 78.3° | 65.3° |
| C18 | N19 | C20 | C27 | 173.2° | 180.0° |
| C18 | N19 | C20 | C23 | 174.9° | 179.9° |
| C18 | N19 | C27 | C28 | 105.2° | 115.0° |
| N19 | C18 | C17 | H9 | 24.2° | 150.0° |
| N19 | C18 | C17 | H10 | 144.1° | 30.0° |
| C21 | C26 | C25 | H13 | 180.0° | 179.1° |
| C26 | C21 | C20 | N19 | 176.0° | 179.6° |
| C26 | C21 | C20 | C23 | 0.8° | 0.1° |
| C21 | C26 | C25 | C33 | 177.5° | 179.5° |
| C21 | C26 | C25 | C24 | 0.3° | 1.4° |
| C20 | C21 | C26 | C25 | 0.9° | 1.0° |
| C21 | C20 | N19 | C23 | 174.6° | 179.7° |
| C21 | C20 | N19 | C27 | 173.0° | 179.6° |
| C21 | C20 | C23 | C24 | 0.5° | 0.4° |
| C21 | C20 | C23 | H11 | 179.5° | 179.6° |
| C20 | C21 | C26 | H13 | 179.1° | 179.9° |
| C26 | C25 | C33 | C24 | 177.8° | 179.1° |
| C26 | C25 | C24 | C23 | 1.6° | 0.9° |
| C26 | C25 | C24 | H12 | 178.4° | 179.0° |
| C26 | C25 | C33 | H18 | 88.9° | 89.1° |
| C26 | C25 | C33 | H19 | 151.1° | 30.9° |
| C26 | C25 | C33 | H20 | 31.1° | 150.9° |
| C31 | C32 | C27 | H17 | 180.0° | 179.6° |
| C31 | C32 | C27 | N19 | 176.7° | 179.8° |
| C32 | C31 | N30 | H16 | 180.0° | 179.8° |
| C31 | C32 | C27 | C28 | 0.2° | 0.5° |
| C32 | C31 | N30 | C29 | 0.0° | 0.3° |
| C32 | C27 | N19 | C20 | 110.1° | 114.7° |
| C32 | C27 | N19 | C28 | 176.4° | 179.7° |
| C27 | C32 | C31 | N30 | 0.2° | 0.5° |
| C32 | C27 | C28 | C29 | 0.0° | 0.3° |
| C32 | C27 | C28 | H14 | 179.9° | 179.8° |
| C27 | C32 | C31 | H16 | 179.8° | 179.7° |
| C20 | N19 | C27 | C28 | 66.4° | 65.0° |
| N19 | C20 | C23 | C24 | 173.3° | 179.9° |
| N19 | C20 | C23 | H11 | 6.7° | 0.0° |
| C27 | N19 | C20 | C23 | 1.6° | 0.1° |
| N19 | C27 | C28 | C29 | 176.6° | 180.0° |
| N19 | C27 | C28 | H14 | 3.4° | 0.1° |
| N19 | C27 | C32 | H17 | 3.3° | 0.3° |
| C20 | C23 | C24 | C25 | 1.7° | 0.0° |
| C20 | C23 | C24 | H11 | 180.0° | 180.0° |
| C20 | C23 | C24 | H12 | 178.3° | 180.0° |
| C33 | C25 | C24 | C23 | 176.2° | 180.0° |
| C33 | C25 | C24 | H12 | 3.8° | 0.1° |
| C33 | C25 | C26 | H13 | 2.4° | 0.4° |
| C25 | C33 | H18 | H19 | 120.0° | 120.0° |
| C25 | C33 | H18 | H20 | 120.0° | 120.1° |
| C25 | C33 | H19 | H20 | 120.0° | 120.1° |
| C25 | C24 | C23 | H12 | 180.0° | 180.0° |
| C25 | C24 | C23 | H11 | 178.3° | 180.0° |
| C24 | C25 | C26 | H13 | 179.8° | 179.5° |
| C24 | C25 | C33 | H18 | 88.9° | 90.0° |
| C24 | C25 | C33 | H19 | 31.1° | 150.0° |
| C24 | C25 | C33 | H20 | 151.1° | 30.0° |
| C31 | N30 | C29 | C28 | 0.2° | 0.0° |
| C31 | N30 | C29 | H15 | 179.8° | 180.0° |
| N30 | C31 | C32 | H17 | 179.8° | 180.0° |
| C27 | C28 | C29 | N30 | 0.1° | 0.0° |
| C27 | C28 | C29 | H14 | 180.0° | 179.9° |
| C27 | C28 | C29 | H15 | 179.9° | 179.9° |
| C28 | C27 | C32 | H17 | 179.8° | 180.0° |
| N30 | C29 | C28 | H15 | 180.0° | 180.0° |
| N30 | C29 | C28 | H14 | 179.9° | 180.0° |
| C29 | N30 | C31 | H16 | 180.0° | 179.9° |
| H1 | C2 | C3 | H2 | 1.6° | 0.0° |
| H2 | C3 | C4 | H3 | 1.8° | 0.1° |
| H4 | C8 | C9 | H5 | 0.0° | 0.1° |
| H5 | C9 | C10 | H6 | 0.7° | 0.0° |
| H7 | C16 | C17 | H9 | 174.7° | 60.0° |
| H7 | C16 | C17 | H10 | 54.9° | 180.0° |
| H8 | C16 | C17 | H9 | 66.1° | 180.0° |
| H8 | C16 | C17 | H10 | 174.0° | 60.0° |
| H11 | C23 | C24 | H12 | 1.7° | 0.1° |
| H14 | C28 | C29 | H15 | 0.1° | 0.0° |
| H16 | C31 | C32 | H17 | 0.2° | 0.2° |
| H18 | C33 | H19 | H20 | 120.0° | 120.0° |
