AED
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | O9 | sing | 1.36Å | 1.37Å | |
| C4 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C10 | sing | 1.53Å | 1.53Å | |
| C5 | C2 | sing | 1.53Å | 1.54Å | |
| C6 | C2 | sing | 1.53Å | 1.55Å | |
| C6 | C11 | sing | 1.53Å | 1.54Å | |
| C7 | C13 | sing | 1.51Å | 1.51Å | |
| C7 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | N16 | sing | 1.47Å | 1.48Å | |
| C3 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C14 | C11 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N16 | HN16 | sing | 1.01Å | 1.00Å | |
| N16 | HN1A | sing | 1.01Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C4 | O9 | 118.0° | 120.1° |
| C8 | C4 | C1 | 121.8° | 119.9° |
| C4 | C8 | C12 | 118.8° | 119.9° |
| C4 | C8 | H8 | 120.6° | 120.1° |
| O9 | C4 | C1 | 120.3° | 120.1° |
| C4 | O9 | HO9 | 109.5° | 114.0° |
| C4 | C1 | C3 | 118.4° | 120.0° |
| C4 | C1 | C2 | 120.9° | 120.0° |
| C10 | C5 | C2 | 111.7° | 109.4° |
| C5 | C10 | C14 | 107.9° | 109.5° |
| C10 | C5 | H5 | 108.8° | 109.5° |
| C10 | C5 | H5A | 108.2° | 109.5° |
| C5 | C10 | H10 | 110.0° | 109.5° |
| C5 | C10 | H10A | 110.3° | 109.4° |
| C5 | C2 | C6 | 114.2° | 109.5° |
| C5 | C2 | C1 | 109.7° | 109.5° |
| C2 | C5 | H5 | 108.7° | 109.5° |
| C2 | C5 | H5A | 108.2° | 109.5° |
| C5 | C2 | H2 | 106.4° | 109.5° |
| C2 | C6 | C11 | 115.9° | 109.5° |
| C6 | C2 | C1 | 110.5° | 109.4° |
| C2 | C6 | H6 | 107.4° | 109.4° |
| C2 | C6 | H6A | 105.9° | 109.5° |
| C6 | C2 | H2 | 105.5° | 109.4° |
| C6 | C11 | C14 | 113.6° | 109.5° |
| C11 | C6 | H6 | 107.4° | 109.4° |
| C11 | C6 | H6A | 105.9° | 109.5° |
| C6 | C11 | H11 | 108.1° | 109.5° |
| C6 | C11 | H11A | 107.2° | 109.4° |
| C13 | C7 | C12 | 120.9° | 119.9° |
| C13 | C7 | C3 | 119.4° | 119.9° |
| C7 | C13 | C15 | 112.9° | 109.4° |
| C7 | C13 | H13 | 108.4° | 109.5° |
| C7 | C13 | H13A | 107.6° | 109.5° |
| C12 | C7 | C3 | 119.7° | 120.1° |
| C7 | C12 | C8 | 120.6° | 120.0° |
| C7 | C12 | H12 | 119.7° | 120.0° |
| C7 | C3 | C1 | 120.7° | 120.0° |
| C7 | C3 | H3 | 119.6° | 120.0° |
| C12 | C8 | H8 | 120.6° | 120.0° |
| C8 | C12 | H12 | 119.7° | 120.0° |
| C10 | C14 | C11 | 109.8° | 109.4° |
| C14 | C10 | H10 | 110.0° | 109.5° |
| C14 | C10 | H10A | 110.3° | 109.5° |
| C10 | C14 | H14 | 109.4° | 109.5° |
| C10 | C14 | H14A | 109.3° | 109.5° |
| C13 | C15 | N16 | 111.6° | 109.5° |
| C15 | C13 | H13 | 108.3° | 109.5° |
| C15 | C13 | H13A | 107.6° | 109.5° |
| C13 | C15 | H15 | 108.8° | 109.5° |
| C13 | C15 | H15A | 108.3° | 109.5° |
| N16 | C15 | H15 | 108.8° | 109.4° |
| N16 | C15 | H15A | 108.3° | 109.5° |
| C15 | N16 | HN16 | 109.5° | 111.0° |
| C15 | N16 | HN1A | 109.5° | 111.0° |
| C3 | C1 | C2 | 120.7° | 120.0° |
| C1 | C3 | H3 | 119.6° | 119.9° |
| C1 | C2 | H2 | 110.4° | 109.4° |
| C11 | C14 | H14 | 109.3° | 109.5° |
| C11 | C14 | H14A | 109.3° | 109.5° |
| C14 | C11 | H11 | 108.1° | 109.5° |
| C14 | C11 | H11A | 107.2° | 109.5° |
| H5 | C5 | H5A | 111.2° | 109.5° |
| H6 | C6 | H6A | 114.7° | 109.5° |
| H10 | C10 | H10A | 108.3° | 109.4° |
| H13 | C13 | H13A | 112.2° | 109.5° |
| H15 | C15 | H15A | 111.2° | 109.5° |
| HN16 | N16 | HN1A | 109.5° | 111.1° |
| H14 | C14 | H14A | 109.7° | 109.5° |
| H11 | C11 | H11A | 112.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C4 | O9 | C1 | 179.8° | 179.7° |
| C4 | C8 | C12 | C7 | 0.4° | 0.1° |
| C4 | C8 | C12 | H8 | 180.0° | 179.9° |
| C8 | C4 | C1 | C3 | 0.0° | 0.0° |
| C8 | C4 | C1 | C2 | 180.0° | 180.0° |
| C8 | C4 | O9 | HO9 | 42.1° | 89.9° |
| C4 | C8 | C12 | H12 | 179.6° | 180.0° |
| O9 | C4 | C8 | C12 | 179.9° | 180.0° |
| O9 | C4 | C1 | C3 | 179.8° | 179.7° |
| O9 | C4 | C1 | C2 | 0.3° | 0.3° |
| O9 | C4 | C8 | H8 | 0.1° | 0.0° |
| C4 | C1 | C2 | C5 | 99.0° | 120.0° |
| C4 | C1 | C2 | C6 | 134.3° | 120.0° |
| C4 | C1 | C3 | C7 | 0.2° | 0.6° |
| C1 | C4 | C8 | C12 | 0.3° | 0.2° |
| C4 | C1 | C3 | C2 | 180.0° | 180.0° |
| C1 | C4 | C8 | H8 | 179.7° | 179.7° |
| C1 | C4 | O9 | HO9 | 137.7° | 89.8° |
| C4 | C1 | C3 | H3 | 179.9° | 179.8° |
| C4 | C1 | C2 | H2 | 18.0° | 0.0° |
| C10 | C5 | C2 | H5 | 120.0° | 120.0° |
| C10 | C5 | C2 | H5A | 119.0° | 120.0° |
| C10 | C5 | C2 | C6 | 46.9° | 60.0° |
| C5 | C10 | C14 | H10 | 120.0° | 120.0° |
| C5 | C10 | C14 | H10A | 120.6° | 120.0° |
| C10 | C5 | C2 | C1 | 171.5° | 180.0° |
| C5 | C10 | C14 | C11 | 65.5° | 60.0° |
| C10 | C5 | H5 | H5A | 119.1° | 120.0° |
| C5 | C10 | H10 | H10A | 120.6° | 120.0° |
| C10 | C5 | C2 | H2 | 69.1° | 60.0° |
| C5 | C10 | C14 | H14 | 174.5° | 180.0° |
| C5 | C10 | C14 | H14A | 54.4° | 60.0° |
| C5 | C2 | C6 | C1 | 124.1° | 120.0° |
| C5 | C2 | C6 | H2 | 116.5° | 120.0° |
| C5 | C2 | C6 | C11 | 34.8° | 60.0° |
| C2 | C5 | C10 | C14 | 62.2° | 60.0° |
| C5 | C2 | C1 | C3 | 81.0° | 60.0° |
| C5 | C2 | C1 | H2 | 117.0° | 120.0° |
| C2 | C5 | H5 | H5A | 119.1° | 120.1° |
| C5 | C2 | C6 | H6 | 85.2° | 60.0° |
| C5 | C2 | C6 | H6A | 151.9° | 180.0° |
| C2 | C5 | C10 | H10 | 57.8° | 60.1° |
| C2 | C5 | C10 | H10A | 177.1° | 180.0° |
| C2 | C6 | C11 | H6 | 120.0° | 119.9° |
| C2 | C6 | C11 | H6A | 117.1° | 120.1° |
| C6 | C2 | C1 | C3 | 45.7° | 60.1° |
| C6 | C2 | C1 | H2 | 116.3° | 119.9° |
| C2 | C6 | C11 | C14 | 38.5° | 60.0° |
| C6 | C2 | C5 | H5 | 73.1° | 60.0° |
| C6 | C2 | C5 | H5A | 165.9° | 180.0° |
| C2 | C6 | H6 | H6A | 117.4° | 120.1° |
| C2 | C6 | C11 | H11 | 158.5° | 180.0° |
| C2 | C6 | C11 | H11A | 79.7° | 60.1° |
| C6 | C11 | C14 | C10 | 53.9° | 60.0° |
| C11 | C6 | C2 | C1 | 159.0° | 180.0° |
| C6 | C11 | C14 | H11 | 120.0° | 120.0° |
| C6 | C11 | C14 | H11A | 118.2° | 120.0° |
| C11 | C6 | H6 | H6A | 117.4° | 120.0° |
| C11 | C6 | C2 | H2 | 81.7° | 60.1° |
| C6 | C11 | C14 | H14 | 173.9° | 180.0° |
| C6 | C11 | C14 | H14A | 66.0° | 60.0° |
| C6 | C11 | H11 | H11A | 118.3° | 120.0° |
| C13 | C7 | C12 | C3 | 179.7° | 179.4° |
| C13 | C7 | C12 | C8 | 180.0° | 180.0° |
| C7 | C13 | C15 | H13 | 120.0° | 120.0° |
| C7 | C13 | C15 | H13A | 118.5° | 120.0° |
| C7 | C13 | C15 | N16 | 177.4° | 180.0° |
| C13 | C7 | C3 | C1 | 179.7° | 179.7° |
| C7 | C13 | H13 | H13A | 118.6° | 120.0° |
| C7 | C13 | C15 | H15 | 57.4° | 60.0° |
| C7 | C13 | C15 | H15A | 63.6° | 60.0° |
| C13 | C7 | C12 | H12 | 0.0° | 0.0° |
| C13 | C7 | C3 | H3 | 0.3° | 0.1° |
| C7 | C12 | C8 | H12 | 180.0° | 180.0° |
| C12 | C7 | C13 | C15 | 45.5° | 90.1° |
| C12 | C7 | C3 | C1 | 0.0° | 0.9° |
| C7 | C12 | C8 | H8 | 179.6° | 180.0° |
| C12 | C7 | C13 | H13 | 74.5° | 150.0° |
| C12 | C7 | C13 | H13A | 164.0° | 30.0° |
| C12 | C7 | C3 | H3 | 180.0° | 179.5° |
| C3 | C7 | C12 | C8 | 0.3° | 0.6° |
| C3 | C7 | C13 | C15 | 134.8° | 90.5° |
| C7 | C3 | C1 | H3 | 180.0° | 179.7° |
| C7 | C3 | C1 | C2 | 179.8° | 179.5° |
| C3 | C7 | C13 | H13 | 105.2° | 29.4° |
| C3 | C7 | C13 | H13A | 16.3° | 149.4° |
| C3 | C7 | C12 | H12 | 179.7° | 179.4° |
| C10 | C14 | C11 | H14 | 120.0° | 120.0° |
| C10 | C14 | C11 | H14A | 119.9° | 120.0° |
| C14 | C10 | C5 | H5 | 57.7° | 60.0° |
| C14 | C10 | C5 | H5A | 178.7° | 180.0° |
| C14 | C10 | H10 | H10A | 120.6° | 120.0° |
| C10 | C14 | H14 | H14A | 119.9° | 120.0° |
| C10 | C14 | C11 | H11 | 173.9° | 180.0° |
| C10 | C14 | C11 | H11A | 64.3° | 60.0° |
| C13 | C15 | N16 | H15 | 120.0° | 119.9° |
| C13 | C15 | N16 | H15A | 119.1° | 120.1° |
| C15 | C13 | H13 | H13A | 118.6° | 120.0° |
| C13 | C15 | H15 | H15A | 119.1° | 120.0° |
| C13 | C15 | N16 | HN16 | 1.7° | 56.0° |
| C13 | C15 | N16 | HN1A | 121.7° | 180.0° |
| N16 | C15 | C13 | H13 | 62.6° | 60.1° |
| N16 | C15 | C13 | H13A | 58.9° | 59.9° |
| N16 | C15 | H15 | H15A | 119.1° | 120.0° |
| C15 | N16 | HN16 | HN1A | 120.0° | 124.0° |
| C3 | C1 | C2 | H2 | 162.0° | 180.0° |
| C1 | C2 | C5 | H5 | 51.5° | 60.0° |
| C1 | C2 | C5 | H5A | 69.5° | 60.0° |
| C1 | C2 | C6 | H6 | 39.0° | 60.1° |
| C1 | C2 | C6 | H6A | 84.0° | 59.9° |
| C2 | C1 | C3 | H3 | 0.2° | 0.2° |
| C14 | C11 | C6 | H6 | 81.5° | 60.0° |
| C14 | C11 | C6 | H6A | 155.6° | 180.0° |
| C11 | C14 | C10 | H10 | 54.5° | 60.0° |
| C11 | C14 | C10 | H10A | 173.9° | 180.0° |
| C11 | C14 | H14 | H14A | 119.8° | 120.1° |
| C14 | C11 | H11 | H11A | 118.3° | 120.0° |
| H5 | C5 | C10 | H10 | 177.7° | 180.0° |
| H5 | C5 | C10 | H10A | 62.9° | 60.0° |
| H5 | C5 | C2 | H2 | 170.9° | 180.0° |
| H5A | C5 | C10 | H10 | 61.3° | 60.0° |
| H5A | C5 | C10 | H10A | 58.1° | 60.0° |
| H5A | C5 | C2 | H2 | 50.0° | 59.9° |
| H6 | C6 | C2 | H2 | 158.3° | 180.0° |
| H6 | C6 | C11 | H11 | 38.5° | 60.0° |
| H6 | C6 | C11 | H11A | 160.3° | 180.0° |
| H6A | C6 | C2 | H2 | 35.4° | 60.0° |
| H6A | C6 | C11 | H11 | 84.4° | 60.0° |
| H6A | C6 | C11 | H11A | 37.4° | 60.0° |
| H8 | C8 | C12 | H12 | 0.4° | 0.0° |
| H10 | C10 | C14 | H14 | 65.5° | 60.0° |
| H10 | C10 | C14 | H14A | 174.3° | 180.0° |
| H10A | C10 | C14 | H14 | 53.9° | 60.0° |
| H10A | C10 | C14 | H14A | 66.3° | 60.0° |
| H13 | C13 | C15 | H15 | 177.4° | 180.0° |
| H13 | C13 | C15 | H15A | 56.5° | 60.0° |
| H13A | C13 | C15 | H15 | 61.1° | 60.0° |
| H13A | C13 | C15 | H15A | 177.9° | NaN° |
| H15 | C15 | N16 | HN16 | 118.2° | 64.0° |
| H15 | C15 | N16 | HN1A | 1.8° | 60.0° |
| H15A | C15 | N16 | HN16 | 120.8° | 176.0° |
| H15A | C15 | N16 | HN1A | 119.2° | 60.0° |
| H14 | C14 | C11 | H11 | 66.1° | 60.0° |
| H14 | C14 | C11 | H11A | 55.7° | 60.0° |
| H14A | C14 | C11 | H11 | 54.0° | 60.0° |
| H14A | C14 | C11 | H11A | 175.8° | 180.0° |
