E2U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.38Å | 1.31Å | Aromatic |
| C15 | C10 | doub | 1.39Å | 1.52Å | Aromatic |
| O9 | C10 | sing | 1.36Å | 1.42Å | |
| O9 | C8 | sing | 1.36Å | 1.43Å | |
| C7 | N6 | doub | 1.32Å | 1.27Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.50Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.52Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.31Å | Aromatic |
| N6 | C5 | sing | 1.32Å | 1.49Å | Aromatic |
| C8 | C3 | doub | 1.40Å | 1.29Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.30Å | Aromatic |
| C13 | CL1 | sing | 1.74Å | 1.76Å | |
| C11 | C12 | doub | 1.38Å | 1.52Å | Aromatic |
| C11 | N2 | sing | 1.41Å | 1.43Å | |
| C3 | N2 | sing | 1.40Å | 1.43Å | |
| C3 | C4 | sing | 1.39Å | 1.50Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.32Å | Aromatic |
| N2 | C1 | sing | 1.46Å | 1.48Å | |
| C1 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C20 | sing | 1.53Å | 1.58Å | |
| C20 | C21 | sing | 1.53Å | 1.50Å | |
| C20 | C19 | sing | 1.53Å | 1.49Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C22 | N23 | sing | 1.47Å | 1.50Å | |
| C18 | N23 | sing | 1.47Å | 1.49Å | |
| N23 | C24 | sing | 1.47Å | 1.44Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | N26 | sing | 1.47Å | 1.45Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| N26 | H26 | sing | 1.01Å | 1.00Å | |
| N26 | H27 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C10 | 118.2° | 120.0° |
| C15 | C14 | C13 | 119.7° | 120.3° |
| C14 | C15 | H4 | 120.9° | 120.0° |
| C15 | C14 | H20 | 120.1° | 119.8° |
| C15 | C10 | O9 | 116.6° | 119.9° |
| C15 | C10 | C11 | 122.3° | 119.5° |
| C10 | C15 | H4 | 120.9° | 120.0° |
| C10 | O9 | C8 | 116.1° | 119.6° |
| O9 | C10 | C11 | 121.1° | 120.6° |
| O9 | C8 | C7 | 114.0° | 120.8° |
| O9 | C8 | C3 | 123.9° | 120.5° |
| N6 | C7 | C8 | 118.3° | 120.5° |
| C7 | N6 | C5 | 121.3° | 122.3° |
| N6 | C7 | H3 | 120.8° | 119.7° |
| C7 | C8 | C3 | 122.1° | 118.7° |
| C8 | C7 | H3 | 120.9° | 119.7° |
| C14 | C13 | C12 | 122.2° | 120.0° |
| C14 | C13 | CL1 | 122.6° | 120.0° |
| C13 | C14 | H20 | 120.2° | 119.9° |
| C10 | C11 | C12 | 118.9° | 120.2° |
| C10 | C11 | N2 | 121.8° | 119.3° |
| N6 | C5 | C4 | 120.3° | 120.8° |
| N6 | C5 | H2 | 119.8° | 119.6° |
| C8 | C3 | N2 | 120.0° | 119.5° |
| C8 | C3 | C4 | 119.3° | 119.0° |
| C12 | C13 | CL1 | 115.2° | 120.0° |
| C13 | C12 | C11 | 118.8° | 119.9° |
| C13 | C12 | H16 | 120.6° | 120.1° |
| C12 | C11 | N2 | 119.3° | 120.5° |
| C11 | C12 | H16 | 120.6° | 120.0° |
| C11 | N2 | C3 | 117.1° | 117.6° |
| C11 | N2 | C1 | 120.9° | 121.2° |
| N2 | C3 | C4 | 120.8° | 121.5° |
| C3 | N2 | C1 | 121.6° | 121.2° |
| C3 | C4 | C5 | 118.8° | 118.7° |
| C3 | C4 | H1 | 120.6° | 120.7° |
| C5 | C4 | H1 | 120.6° | 120.7° |
| C4 | C5 | H2 | 119.9° | 119.6° |
| N2 | C1 | C17 | 122.8° | 109.5° |
| N2 | C1 | H14 | 106.0° | 109.5° |
| N2 | C1 | H15 | 106.0° | 109.5° |
| C1 | C17 | C20 | 101.3° | 109.5° |
| C1 | C17 | H5 | 111.4° | 109.5° |
| C1 | C17 | H6 | 111.5° | 109.5° |
| C17 | C1 | H14 | 106.1° | 109.5° |
| C17 | C1 | H15 | 106.1° | 109.4° |
| C17 | C20 | C21 | 111.6° | 109.5° |
| C17 | C20 | C19 | 110.5° | 109.5° |
| C20 | C17 | H5 | 111.5° | 109.5° |
| C20 | C17 | H6 | 111.5° | 109.5° |
| C17 | C20 | H7 | 107.6° | 109.5° |
| C21 | C20 | C19 | 109.7° | 109.2° |
| C20 | C21 | C22 | 108.2° | 109.3° |
| C21 | C20 | H7 | 108.5° | 109.5° |
| C20 | C21 | H8 | 109.8° | 109.5° |
| C20 | C21 | H9 | 109.8° | 109.5° |
| C20 | C19 | C18 | 109.8° | 109.3° |
| C19 | C20 | H7 | 108.7° | 109.6° |
| C20 | C19 | H21 | 109.4° | 109.5° |
| C20 | C19 | H22 | 109.4° | 109.5° |
| C21 | C22 | N23 | 111.4° | 109.5° |
| C22 | C21 | H8 | 109.8° | 109.5° |
| C22 | C21 | H9 | 109.8° | 109.5° |
| C21 | C22 | H10 | 109.0° | 109.4° |
| C21 | C22 | H11 | 109.0° | 109.4° |
| C19 | C18 | N23 | 110.8° | 109.5° |
| C19 | C18 | H18 | 109.1° | 109.4° |
| C19 | C18 | H19 | 109.1° | 109.4° |
| C18 | C19 | H21 | 109.4° | 109.5° |
| C18 | C19 | H22 | 109.4° | 109.5° |
| C22 | N23 | C18 | 112.3° | 111.2° |
| C22 | N23 | C24 | 111.6° | 111.0° |
| N23 | C22 | H10 | 109.0° | 109.5° |
| N23 | C22 | H11 | 109.0° | 109.5° |
| C18 | N23 | C24 | 112.9° | 111.0° |
| N23 | C18 | H18 | 109.1° | 109.5° |
| N23 | C18 | H19 | 109.1° | 109.5° |
| N23 | C24 | C25 | 113.4° | 109.5° |
| N23 | C24 | H12 | 108.5° | 109.5° |
| N23 | C24 | H13 | 108.5° | 109.5° |
| C24 | C25 | N26 | 114.4° | 109.5° |
| C25 | C24 | H12 | 108.5° | 109.5° |
| C25 | C24 | H13 | 108.5° | 109.5° |
| C24 | C25 | H23 | 108.2° | 109.5° |
| C24 | C25 | H24 | 108.2° | 109.5° |
| N26 | C25 | H23 | 108.2° | 109.5° |
| N26 | C25 | H24 | 108.2° | 109.5° |
| C25 | N26 | H26 | 109.5° | 111.0° |
| C25 | N26 | H27 | 109.5° | 111.0° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H8 | C21 | H9 | 109.5° | 109.6° |
| H10 | C22 | H11 | 109.5° | 109.4° |
| H12 | C24 | H13 | 109.5° | 109.4° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.5° |
| H26 | N26 | H27 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C10 | H4 | 180.0° | 179.8° |
| C14 | C15 | C10 | O9 | 179.7° | 179.7° |
| C15 | C14 | C13 | H20 | 180.0° | 179.9° |
| C14 | C15 | C10 | C11 | 0.7° | 0.2° |
| C15 | C14 | C13 | C12 | 0.6° | 0.0° |
| C15 | C14 | C13 | CL1 | 179.9° | 180.0° |
| C15 | C10 | O9 | C11 | 179.6° | 179.9° |
| C15 | C10 | O9 | C8 | 178.8° | 165.8° |
| C10 | C15 | C14 | C13 | 1.1° | 0.1° |
| C15 | C10 | C11 | C12 | 0.2° | 0.3° |
| C15 | C10 | C11 | N2 | 178.0° | 179.7° |
| C10 | C15 | C14 | H20 | 178.9° | 180.0° |
| C10 | O9 | C8 | C7 | 179.9° | 165.6° |
| C10 | O9 | C8 | C3 | 1.0° | 14.2° |
| O9 | C10 | C11 | C12 | 179.4° | 179.6° |
| O9 | C10 | C11 | N2 | 1.6° | 0.4° |
| O9 | C10 | C15 | H4 | 0.3° | 0.2° |
| O9 | C8 | C7 | N6 | 179.7° | 179.8° |
| O9 | C8 | C7 | C3 | 178.9° | 179.8° |
| C8 | O9 | C10 | C11 | 0.8° | 14.3° |
| O9 | C8 | C3 | N2 | 1.9° | 0.0° |
| O9 | C8 | C3 | C4 | 178.8° | 180.0° |
| O9 | C8 | C7 | H3 | 0.3° | 0.1° |
| N6 | C7 | C8 | H3 | 180.0° | 179.7° |
| N6 | C7 | C8 | C3 | 0.8° | 0.4° |
| C7 | N6 | C5 | C4 | 0.3° | 0.0° |
| C7 | N6 | C5 | H2 | 179.7° | 180.0° |
| C8 | C7 | N6 | C5 | 0.9° | 0.4° |
| C7 | C8 | C3 | N2 | 179.3° | 179.8° |
| C7 | C8 | C3 | C4 | 0.0° | 0.2° |
| C14 | C13 | C12 | CL1 | 179.3° | 180.0° |
| C14 | C13 | C12 | C11 | 0.3° | 0.0° |
| C13 | C14 | C15 | H4 | 178.9° | 180.0° |
| C14 | C13 | C12 | H16 | 179.7° | 179.9° |
| C10 | C11 | C12 | C13 | 0.7° | 0.2° |
| C10 | C11 | C12 | N2 | 177.9° | 180.0° |
| C10 | C11 | N2 | C3 | 2.3° | 13.4° |
| C10 | C11 | N2 | C1 | 175.1° | 166.6° |
| C11 | C10 | C15 | H4 | 179.3° | 179.9° |
| C10 | C11 | C12 | H16 | 179.3° | 179.8° |
| N6 | C5 | C4 | C3 | 0.5° | 0.2° |
| N6 | C5 | C4 | H2 | 180.0° | 180.0° |
| N6 | C5 | C4 | H1 | 179.5° | 179.9° |
| C5 | N6 | C7 | H3 | 179.1° | 180.0° |
| C8 | C3 | N2 | C11 | 2.4° | 13.6° |
| C8 | C3 | N2 | C4 | 179.3° | 180.0° |
| C8 | C3 | C4 | C5 | 0.6° | 0.1° |
| C8 | C3 | N2 | C1 | 175.1° | 166.5° |
| C8 | C3 | C4 | H1 | 179.4° | 179.9° |
| C3 | C8 | C7 | H3 | 179.2° | 179.9° |
| C13 | C12 | C11 | H16 | 180.0° | 180.0° |
| C13 | C12 | C11 | N2 | 178.5° | 179.8° |
| C12 | C13 | C14 | H20 | 179.4° | 179.9° |
| CL1 | C13 | C12 | C11 | 179.0° | 180.0° |
| CL1 | C13 | C12 | H16 | 1.0° | 0.0° |
| CL1 | C13 | C14 | H20 | 0.1° | 0.1° |
| C12 | C11 | N2 | C3 | 179.9° | 166.6° |
| C12 | C11 | N2 | C1 | 7.1° | 13.4° |
| C11 | N2 | C3 | C1 | 172.7° | 179.9° |
| C11 | N2 | C3 | C4 | 178.3° | 166.4° |
| C11 | N2 | C1 | C17 | 102.6° | 90.0° |
| C11 | N2 | C1 | H14 | 19.2° | 30.0° |
| C11 | N2 | C1 | H15 | 135.5° | 150.0° |
| N2 | C11 | C12 | H16 | 1.5° | 0.2° |
| N2 | C3 | C4 | C5 | 178.7° | 179.9° |
| C3 | N2 | C1 | C17 | 84.9° | 90.1° |
| N2 | C3 | C4 | H1 | 1.3° | 0.1° |
| C3 | N2 | C1 | H14 | 153.2° | 149.9° |
| C3 | N2 | C1 | H15 | 36.9° | 29.9° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C4 | C3 | N2 | C1 | 5.6° | 13.5° |
| C3 | C4 | C5 | H2 | 179.5° | 179.8° |
| N2 | C1 | C17 | H14 | 121.8° | 120.0° |
| N2 | C1 | C17 | H15 | 121.8° | 120.0° |
| N2 | C1 | C17 | C20 | 174.6° | 180.0° |
| N2 | C1 | C17 | H5 | 55.9° | 60.0° |
| N2 | C1 | C17 | H6 | 66.8° | 60.0° |
| N2 | C1 | H14 | H15 | 114.0° | 120.0° |
| C1 | C17 | C20 | H5 | 118.6° | 120.0° |
| C1 | C17 | C20 | H6 | 118.7° | 120.0° |
| C1 | C17 | C20 | C21 | 118.0° | 175.0° |
| C1 | C17 | C20 | C19 | 119.6° | 65.3° |
| C1 | C17 | H5 | H6 | 123.8° | 120.0° |
| C1 | C17 | C20 | H7 | 1.0° | 54.9° |
| C17 | C1 | H14 | H15 | 114.0° | 120.0° |
| C17 | C20 | C21 | C19 | 122.9° | 119.9° |
| C17 | C20 | C21 | H7 | 118.4° | 120.1° |
| C17 | C20 | C19 | H7 | 117.9° | 120.2° |
| C17 | C20 | C21 | C22 | 174.9° | 177.6° |
| C17 | C20 | C19 | C18 | 173.7° | 177.5° |
| C20 | C17 | H5 | H6 | 123.8° | 120.0° |
| C17 | C20 | C21 | H8 | 55.1° | 62.5° |
| C17 | C20 | C21 | H9 | 65.3° | 57.6° |
| C20 | C17 | C1 | H14 | 63.6° | 60.0° |
| C20 | C17 | C1 | H15 | 52.7° | 60.0° |
| C17 | C20 | C19 | H21 | 66.2° | 57.6° |
| C17 | C20 | C19 | H22 | 53.7° | 62.5° |
| C21 | C20 | C19 | H7 | 118.5° | 119.9° |
| C20 | C21 | C22 | H8 | 119.8° | 119.9° |
| C20 | C21 | C22 | H9 | 119.8° | 119.9° |
| C21 | C20 | C19 | C18 | 62.7° | 57.6° |
| C20 | C21 | C22 | N23 | 57.2° | 59.2° |
| C21 | C20 | C17 | H5 | 0.7° | 65.0° |
| C21 | C20 | C17 | H6 | 123.3° | 55.0° |
| C20 | C21 | H8 | H9 | 120.6° | 120.1° |
| C20 | C21 | C22 | H10 | 63.1° | 60.8° |
| C20 | C21 | C22 | H11 | 177.5° | 179.2° |
| C21 | C20 | C19 | H21 | 57.3° | 62.3° |
| C21 | C20 | C19 | H22 | 177.3° | 177.6° |
| C19 | C20 | C21 | C22 | 62.2° | 57.7° |
| C20 | C19 | C18 | H21 | 120.0° | 119.9° |
| C20 | C19 | C18 | H22 | 120.0° | 120.0° |
| C20 | C19 | C18 | N23 | 57.0° | 59.2° |
| C19 | C20 | C17 | H5 | 121.8° | 54.7° |
| C19 | C20 | C17 | H6 | 0.9° | 174.7° |
| C19 | C20 | C21 | H8 | 178.0° | 177.6° |
| C19 | C20 | C21 | H9 | 57.6° | 62.3° |
| C20 | C19 | C18 | H18 | 177.2° | 60.9° |
| C20 | C19 | C18 | H19 | 63.1° | 179.2° |
| C20 | C19 | H21 | H22 | 119.9° | 120.1° |
| C21 | C22 | N23 | H10 | 120.3° | 120.0° |
| C21 | C22 | N23 | H11 | 120.3° | 120.0° |
| C21 | C22 | N23 | C18 | 53.4° | 61.7° |
| C21 | C22 | N23 | C24 | 178.7° | 174.1° |
| C22 | C21 | C20 | H7 | 56.5° | 62.3° |
| C22 | C21 | H8 | H9 | 120.6° | 120.2° |
| C21 | C22 | H10 | H11 | 119.1° | 119.9° |
| C19 | C18 | N23 | C22 | 52.6° | 61.7° |
| C19 | C18 | N23 | H18 | 120.2° | 120.0° |
| C19 | C18 | N23 | H19 | 120.2° | 120.0° |
| C19 | C18 | N23 | C24 | 179.9° | 174.1° |
| C18 | C19 | C20 | H7 | 55.8° | 62.3° |
| C19 | C18 | H18 | H19 | 119.4° | 119.9° |
| C18 | C19 | H21 | H22 | 119.9° | 120.1° |
| C22 | N23 | C18 | C24 | 127.3° | 124.1° |
| C22 | N23 | C24 | C25 | 76.4° | 170.0° |
| N23 | C22 | C21 | H8 | 177.0° | 179.1° |
| N23 | C22 | C21 | H9 | 62.6° | 60.7° |
| N23 | C22 | H10 | H11 | 119.2° | 120.0° |
| C22 | N23 | C24 | H12 | 44.2° | 70.0° |
| C22 | N23 | C24 | H13 | 163.0° | 50.0° |
| C22 | N23 | C18 | H18 | 172.8° | 58.3° |
| C22 | N23 | C18 | H19 | 67.6° | 178.3° |
| C18 | N23 | C24 | C25 | 51.2° | 65.8° |
| C18 | N23 | C22 | H10 | 66.9° | 58.3° |
| C18 | N23 | C22 | H11 | 173.6° | 178.3° |
| C18 | N23 | C24 | H12 | 171.8° | 54.3° |
| C18 | N23 | C24 | H13 | 69.4° | 174.2° |
| N23 | C18 | H18 | H19 | 119.4° | 120.0° |
| N23 | C18 | C19 | H21 | 63.0° | 60.8° |
| N23 | C18 | C19 | H22 | 177.1° | 179.1° |
| N23 | C24 | C25 | H12 | 120.6° | 120.0° |
| N23 | C24 | C25 | H13 | 120.6° | 120.0° |
| N23 | C24 | C25 | N26 | 156.8° | 180.0° |
| C24 | N23 | C22 | H10 | 61.0° | 65.8° |
| C24 | N23 | C22 | H11 | 58.5° | 54.1° |
| N23 | C24 | H12 | H13 | 118.2° | 119.9° |
| C24 | N23 | C18 | H18 | 59.9° | 65.9° |
| C24 | N23 | C18 | H19 | 59.7° | 54.1° |
| N23 | C24 | C25 | H23 | 82.5° | 60.0° |
| N23 | C24 | C25 | H24 | 36.1° | 60.0° |
| C24 | C25 | N26 | H23 | 120.8° | 120.0° |
| C24 | C25 | N26 | H24 | 120.7° | 120.0° |
| C25 | C24 | H12 | H13 | 118.2° | 120.0° |
| C24 | C25 | H23 | H24 | 117.7° | 120.0° |
| C24 | C25 | N26 | H26 | 180.0° | 56.0° |
| C24 | C25 | N26 | H27 | 60.0° | 180.0° |
| N26 | C25 | C24 | H12 | 36.2° | 60.0° |
| N26 | C25 | C24 | H13 | 82.6° | 59.9° |
| N26 | C25 | H23 | H24 | 117.8° | 120.0° |
| C25 | N26 | H26 | H27 | 120.0° | 124.0° |
| H1 | C4 | C5 | H2 | 0.5° | 0.0° |
| H4 | C15 | C14 | H20 | 1.1° | 0.1° |
| H5 | C17 | C20 | H7 | 119.6° | 174.9° |
| H5 | C17 | C1 | H14 | 177.7° | 180.0° |
| H5 | C17 | C1 | H15 | 66.0° | 60.0° |
| H6 | C17 | C20 | H7 | 117.7° | 65.1° |
| H6 | C17 | C1 | H14 | 55.1° | 60.0° |
| H6 | C17 | C1 | H15 | 171.4° | 180.0° |
| H7 | C20 | C21 | H8 | 63.3° | 57.6° |
| H7 | C20 | C21 | H9 | 176.3° | 177.7° |
| H7 | C20 | C19 | H21 | 175.8° | 177.8° |
| H7 | C20 | C19 | H22 | 64.2° | 57.6° |
| H8 | C21 | C22 | H10 | 56.7° | 59.0° |
| H8 | C21 | C22 | H11 | 62.7° | 60.9° |
| H9 | C21 | C22 | H10 | 177.1° | 179.2° |
| H9 | C21 | C22 | H11 | 57.7° | 59.3° |
| H12 | C24 | C25 | H23 | 157.0° | 180.0° |
| H12 | C24 | C25 | H24 | 84.5° | 60.0° |
| H13 | C24 | C25 | H23 | 38.1° | 60.0° |
| H13 | C24 | C25 | H24 | 156.6° | 180.0° |
| H18 | C18 | C19 | H21 | 57.2° | 179.2° |
| H18 | C18 | C19 | H22 | 62.7° | 59.1° |
| H19 | C18 | C19 | H21 | 176.8° | 59.2° |
| H19 | C18 | C19 | H22 | 56.9° | 60.9° |
| H23 | C25 | N26 | H26 | 59.3° | 63.9° |
| H23 | C25 | N26 | H27 | 179.3° | 60.0° |
| H24 | C25 | N26 | H26 | 59.3° | 176.0° |
| H24 | C25 | N26 | H27 | 60.7° | 60.0° |
