2EO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | N10 | sing | 1.47Å | 1.46Å | |
| O16 | C9 | doub | 1.22Å | 1.26Å | |
| N10 | C9 | sing | 1.35Å | 1.35Å | |
| N10 | N11 | sing | 1.39Å | 1.40Å | |
| C9 | C8 | sing | 1.47Å | 1.40Å | |
| N11 | C6 | doub | 1.30Å | 1.35Å | |
| C8 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.41Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.46Å | 1.41Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C7 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C1 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | N1 | sing | 1.35Å | 1.36Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| N1 | C18 | sing | 1.40Å | 1.38Å | |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C23 | C22 | doub | 1.37Å | 1.39Å | Aromatic |
| C20 | O24 | sing | 1.35Å | 1.33Å | Aromatic |
| C20 | C21 | doub | 1.41Å | 1.47Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.37Å | Aromatic |
| O24 | C25 | sing | 1.34Å | 1.39Å | Aromatic |
| C21 | C26 | sing | 1.46Å | 1.48Å | Aromatic |
| C25 | C26 | doub | 1.34Å | 1.48Å | Aromatic |
| C25 | C27 | sing | 1.51Å | 1.50Å | |
| C26 | C30 | sing | 1.51Å | 1.51Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | N10 | C9 | 121.6° | 119.1° |
| C17 | N10 | N11 | 117.4° | 119.2° |
| N10 | C17 | H3 | 109.5° | 109.5° |
| N10 | C17 | H4 | 109.5° | 109.4° |
| N10 | C17 | H5 | 109.4° | 109.5° |
| O16 | C9 | N10 | 120.1° | 120.7° |
| O16 | C9 | C8 | 120.5° | 120.6° |
| C9 | N10 | N11 | 121.0° | 121.8° |
| N10 | C9 | C8 | 119.4° | 118.7° |
| N10 | N11 | C6 | 121.1° | 122.7° |
| C9 | C8 | C15 | 119.6° | 121.9° |
| C9 | C8 | C7 | 120.0° | 118.2° |
| N11 | C6 | C7 | 119.4° | 120.0° |
| N11 | C6 | C5 | 116.4° | 120.0° |
| C15 | C8 | C7 | 120.4° | 119.9° |
| C8 | C15 | C14 | 119.6° | 119.5° |
| C8 | C15 | H6 | 120.2° | 120.3° |
| C8 | C7 | C6 | 119.1° | 118.6° |
| C8 | C7 | C12 | 119.4° | 119.6° |
| C15 | C14 | C13 | 120.2° | 120.8° |
| C14 | C15 | H6 | 120.2° | 120.3° |
| C15 | C14 | H7 | 119.9° | 119.6° |
| C7 | C6 | C5 | 124.1° | 120.0° |
| C6 | C7 | C12 | 121.6° | 121.8° |
| C6 | C5 | C1 | 108.4° | 109.5° |
| C6 | C5 | H1 | 109.7° | 109.4° |
| C6 | C5 | H2 | 109.7° | 109.5° |
| C7 | C12 | C13 | 120.0° | 119.6° |
| C7 | C12 | H9 | 120.0° | 120.2° |
| C14 | C13 | C12 | 120.3° | 120.7° |
| C13 | C14 | H7 | 119.9° | 119.6° |
| C14 | C13 | H8 | 119.9° | 119.6° |
| C5 | C1 | N1 | 119.5° | 120.0° |
| C5 | C1 | O1 | 113.6° | 120.0° |
| C1 | C5 | H1 | 109.7° | 109.5° |
| C1 | C5 | H2 | 109.7° | 109.4° |
| C12 | C13 | H8 | 119.8° | 119.7° |
| C13 | C12 | H9 | 120.0° | 120.2° |
| N1 | C1 | O1 | 126.8° | 120.0° |
| C1 | N1 | C18 | 124.2° | 120.0° |
| C1 | N1 | H10 | 117.9° | 120.0° |
| N1 | C18 | C19 | 122.9° | 119.8° |
| N1 | C18 | C23 | 118.2° | 119.7° |
| C18 | N1 | H10 | 117.9° | 120.0° |
| C19 | C18 | C23 | 118.9° | 120.5° |
| C18 | C19 | C20 | 117.8° | 119.8° |
| C18 | C19 | H11 | 121.1° | 120.1° |
| C18 | C23 | C22 | 125.5° | 120.3° |
| C18 | C23 | H13 | 117.3° | 119.8° |
| C19 | C20 | O24 | 129.7° | 133.3° |
| C19 | C20 | C21 | 120.4° | 119.3° |
| C20 | C19 | H11 | 121.1° | 120.1° |
| C23 | C22 | C21 | 116.0° | 119.9° |
| C23 | C22 | H12 | 122.0° | 120.0° |
| C22 | C23 | H13 | 117.3° | 119.8° |
| O24 | C20 | C21 | 109.9° | 107.4° |
| C20 | O24 | C25 | 111.6° | 111.0° |
| C20 | C21 | C22 | 121.5° | 120.2° |
| C20 | C21 | C26 | 105.6° | 105.2° |
| C22 | C21 | C26 | 133.0° | 134.7° |
| C21 | C22 | H12 | 122.0° | 120.1° |
| O24 | C25 | C26 | 108.2° | 109.7° |
| O24 | C25 | C27 | 131.5° | 126.8° |
| C21 | C26 | C25 | 104.8° | 106.7° |
| C21 | C26 | C30 | 129.5° | 128.4° |
| C26 | C25 | C27 | 120.3° | 123.5° |
| C25 | C26 | C30 | 125.7° | 124.9° |
| C25 | C27 | C28 | 108.0° | 108.6° |
| C25 | C27 | H14 | 109.8° | 109.7° |
| C25 | C27 | H15 | 109.8° | 109.6° |
| C26 | C30 | C29 | 108.9° | 108.5° |
| C26 | C30 | H20 | 109.6° | 109.6° |
| C26 | C30 | H21 | 109.6° | 109.7° |
| C27 | C28 | C29 | 112.2° | 109.5° |
| C28 | C27 | H14 | 109.8° | 109.6° |
| C28 | C27 | H15 | 109.8° | 109.6° |
| C27 | C28 | H16 | 108.8° | 109.5° |
| C27 | C28 | H17 | 108.8° | 109.4° |
| C30 | C29 | C28 | 113.1° | 109.3° |
| C30 | C29 | H18 | 108.6° | 109.5° |
| C30 | C29 | H19 | 108.6° | 109.5° |
| C29 | C30 | H20 | 109.6° | 109.6° |
| C29 | C30 | H21 | 109.6° | 109.7° |
| C29 | C28 | H16 | 108.8° | 109.5° |
| C29 | C28 | H17 | 108.8° | 109.5° |
| C28 | C29 | H18 | 108.6° | 109.5° |
| C28 | C29 | H19 | 108.6° | 109.5° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H3 | C17 | H4 | 109.5° | 109.4° |
| H3 | C17 | H5 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H14 | C27 | H15 | 109.5° | 109.8° |
| H16 | C28 | H17 | 109.5° | 109.5° |
| H18 | C29 | H19 | 109.5° | 109.5° |
| H20 | C30 | H21 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | N10 | C9 | O16 | 1.0° | 0.1° |
| C17 | N10 | C9 | N11 | 179.1° | 180.0° |
| C17 | N10 | C9 | C8 | 178.8° | 179.7° |
| C17 | N10 | N11 | C6 | 179.2° | 180.0° |
| N10 | C17 | H3 | H4 | 120.0° | 119.9° |
| N10 | C17 | H3 | H5 | 120.0° | 120.1° |
| N10 | C17 | H4 | H5 | 120.0° | 120.0° |
| O16 | C9 | N10 | C8 | 179.8° | 179.6° |
| O16 | C9 | N10 | N11 | 179.9° | 180.0° |
| O16 | C9 | C8 | C15 | 0.2° | 0.4° |
| O16 | C9 | C8 | C7 | 180.0° | 179.7° |
| C9 | N10 | N11 | C6 | 0.1° | 0.0° |
| N10 | C9 | C8 | C15 | 179.6° | 180.0° |
| N10 | C9 | C8 | C7 | 0.2° | 0.6° |
| C9 | N10 | C17 | H3 | 179.1° | 90.0° |
| C9 | N10 | C17 | H4 | 59.1° | 150.0° |
| C9 | N10 | C17 | H5 | 60.9° | 30.0° |
| N11 | N10 | C9 | C8 | 0.3° | 0.3° |
| N10 | N11 | C6 | C7 | 0.4° | 0.1° |
| N10 | N11 | C6 | C5 | 180.0° | 179.7° |
| N11 | N10 | C17 | H3 | 0.0° | 90.0° |
| N11 | N10 | C17 | H4 | 120.0° | 29.9° |
| N11 | N10 | C17 | H5 | 120.0° | 150.0° |
| C9 | C8 | C15 | C7 | 179.9° | 179.4° |
| C9 | C8 | C15 | C14 | 179.7° | 179.4° |
| C9 | C8 | C7 | C6 | 0.1° | 0.6° |
| C9 | C8 | C7 | C12 | 179.7° | 179.5° |
| C9 | C8 | C15 | H6 | 0.2° | 0.6° |
| N11 | C6 | C7 | C8 | 0.5° | 0.3° |
| N11 | C6 | C7 | C5 | 179.6° | 179.8° |
| N11 | C6 | C7 | C12 | 179.9° | 179.8° |
| N11 | C6 | C5 | C1 | 96.5° | 0.3° |
| N11 | C6 | C5 | H1 | 23.3° | 119.8° |
| N11 | C6 | C5 | H2 | 143.7° | 120.2° |
| C8 | C15 | C14 | H6 | 180.0° | 180.0° |
| C15 | C8 | C7 | C6 | 180.0° | 180.0° |
| C15 | C8 | C7 | C12 | 0.4° | 0.1° |
| C8 | C15 | C14 | C13 | 0.2° | 0.1° |
| C8 | C15 | C14 | H7 | 179.8° | 180.0° |
| C7 | C8 | C15 | C14 | 0.4° | 0.0° |
| C8 | C7 | C6 | C12 | 179.6° | 179.9° |
| C8 | C7 | C6 | C5 | 180.0° | 180.0° |
| C8 | C7 | C12 | C13 | 0.2° | 0.1° |
| C7 | C8 | C15 | H6 | 179.6° | 180.0° |
| C8 | C7 | C12 | H9 | 179.8° | 180.0° |
| C15 | C14 | C13 | H7 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.0° | 0.0° |
| C15 | C14 | C13 | H8 | 180.0° | 180.0° |
| C7 | C6 | C5 | C1 | 83.1° | 180.0° |
| C6 | C7 | C12 | C13 | 179.8° | 179.9° |
| C7 | C6 | C5 | H1 | 157.1° | 60.0° |
| C7 | C6 | C5 | H2 | 36.8° | 60.0° |
| C6 | C7 | C12 | H9 | 0.2° | 0.1° |
| C5 | C6 | C7 | C12 | 0.4° | 0.0° |
| C6 | C5 | C1 | H1 | 119.8° | 120.0° |
| C6 | C5 | C1 | H2 | 119.8° | 120.0° |
| C6 | C5 | C1 | N1 | 109.9° | 180.0° |
| C6 | C5 | C1 | O1 | 70.3° | 0.3° |
| C6 | C5 | H1 | H2 | 120.5° | 120.0° |
| C7 | C12 | C13 | C14 | 0.0° | 0.1° |
| C7 | C12 | C13 | H9 | 180.0° | 179.9° |
| C7 | C12 | C13 | H8 | 180.0° | 179.9° |
| C14 | C13 | C12 | H8 | 180.0° | 180.0° |
| C13 | C14 | C15 | H6 | 179.8° | 180.0° |
| C14 | C13 | C12 | H9 | 180.0° | 179.9° |
| C5 | C1 | N1 | O1 | 179.8° | 179.6° |
| C5 | C1 | N1 | C18 | 166.1° | 174.5° |
| C1 | C5 | H1 | H2 | 120.5° | 120.0° |
| C5 | C1 | N1 | H10 | 13.9° | 5.6° |
| C12 | C13 | C14 | H7 | 180.0° | 179.9° |
| C1 | N1 | C18 | H10 | 180.0° | 179.9° |
| C1 | N1 | C18 | C19 | 167.1° | 146.6° |
| C1 | N1 | C18 | C23 | 13.2° | 33.8° |
| N1 | C1 | C5 | H1 | 9.9° | 60.0° |
| N1 | C1 | C5 | H2 | 130.2° | 60.1° |
| O1 | C1 | N1 | C18 | 14.1° | 5.2° |
| O1 | C1 | C5 | H1 | 169.9° | 119.7° |
| O1 | C1 | C5 | H2 | 49.6° | 120.3° |
| O1 | C1 | N1 | H10 | 165.9° | 174.8° |
| N1 | C18 | C19 | C23 | 179.7° | 179.7° |
| N1 | C18 | C19 | C20 | 179.4° | 180.0° |
| N1 | C18 | C23 | C22 | 179.2° | 179.8° |
| N1 | C18 | C19 | H11 | 0.6° | 0.1° |
| N1 | C18 | C23 | H13 | 0.8° | 0.0° |
| C18 | C19 | C20 | H11 | 180.0° | 179.9° |
| C19 | C18 | C23 | C22 | 1.1° | 0.6° |
| C18 | C19 | C20 | O24 | 179.6° | 179.9° |
| C18 | C19 | C20 | C21 | 0.4° | 0.1° |
| C19 | C18 | N1 | H10 | 12.9° | 33.4° |
| C19 | C18 | C23 | H13 | 178.9° | 179.6° |
| C23 | C18 | C19 | C20 | 0.9° | 0.3° |
| C18 | C23 | C22 | H13 | 180.0° | 179.8° |
| C18 | C23 | C22 | C21 | 0.7° | 0.5° |
| C23 | C18 | N1 | H10 | 166.8° | 146.3° |
| C23 | C18 | C19 | H11 | 179.1° | 179.8° |
| C18 | C23 | C22 | H12 | 179.3° | 179.7° |
| C19 | C20 | O24 | C21 | 179.9° | 180.0° |
| C19 | C20 | C21 | C22 | 0.0° | 0.0° |
| C19 | C20 | O24 | C25 | 179.6° | 180.0° |
| C19 | C20 | C21 | C26 | 179.9° | 180.0° |
| C23 | C22 | C21 | C20 | 0.1° | 0.2° |
| C23 | C22 | C21 | H12 | 180.0° | 179.8° |
| C23 | C22 | C21 | C26 | 179.7° | 179.8° |
| O24 | C20 | C21 | C22 | 180.0° | 180.0° |
| O24 | C20 | C21 | C26 | 0.1° | 0.0° |
| C20 | O24 | C25 | C26 | 0.4° | 0.1° |
| C20 | O24 | C25 | C27 | 179.7° | 179.9° |
| O24 | C20 | C19 | H11 | 0.3° | 0.1° |
| C20 | C21 | C22 | C26 | 179.9° | 180.0° |
| C21 | C20 | O24 | C25 | 0.3° | 0.0° |
| C20 | C21 | C26 | C25 | 0.2° | 0.1° |
| C20 | C21 | C26 | C30 | 179.7° | 179.9° |
| C21 | C20 | C19 | H11 | 179.6° | 180.0° |
| C20 | C21 | C22 | H12 | 179.9° | 180.0° |
| C22 | C21 | C26 | C25 | 179.7° | 180.0° |
| C22 | C21 | C26 | C30 | 0.2° | 0.1° |
| C21 | C22 | C23 | H13 | 179.3° | 179.7° |
| O24 | C25 | C26 | C21 | 0.3° | 0.1° |
| O24 | C25 | C26 | C27 | 179.3° | 180.0° |
| O24 | C25 | C26 | C30 | 179.9° | 179.9° |
| O24 | C25 | C27 | C28 | 157.3° | 163.0° |
| O24 | C25 | C27 | H14 | 83.0° | 77.3° |
| O24 | C25 | C27 | H15 | 37.5° | 43.3° |
| C21 | C26 | C25 | C30 | 179.5° | 180.0° |
| C21 | C26 | C25 | C27 | 179.7° | 179.9° |
| C21 | C26 | C30 | C29 | 172.0° | 163.8° |
| C26 | C21 | C22 | H12 | 0.3° | 0.0° |
| C21 | C26 | C30 | H20 | 68.1° | 76.6° |
| C21 | C26 | C30 | H21 | 52.1° | 44.0° |
| C26 | C25 | C27 | C28 | 21.9° | 16.9° |
| C25 | C26 | C30 | C29 | 7.5° | 16.2° |
| C26 | C25 | C27 | H14 | 97.9° | 102.7° |
| C26 | C25 | C27 | H15 | 141.7° | 136.7° |
| C25 | C26 | C30 | H20 | 112.5° | 103.5° |
| C25 | C26 | C30 | H21 | 127.4° | 136.0° |
| C27 | C25 | C26 | C30 | 0.8° | 0.1° |
| C25 | C27 | C28 | H14 | 119.8° | 119.7° |
| C25 | C27 | C28 | H15 | 119.8° | 119.8° |
| C25 | C27 | C28 | C29 | 54.3° | 50.3° |
| C25 | C27 | H14 | H15 | 120.7° | 120.5° |
| C25 | C27 | C28 | H16 | 174.7° | 170.3° |
| C25 | C27 | C28 | H17 | 66.1° | 69.7° |
| C26 | C30 | C29 | H20 | 119.9° | 119.7° |
| C26 | C30 | C29 | H21 | 119.9° | 119.7° |
| C26 | C30 | C29 | C28 | 39.4° | 49.3° |
| C26 | C30 | C29 | H18 | 159.9° | 70.6° |
| C26 | C30 | C29 | H19 | 81.2° | 169.2° |
| C26 | C30 | H20 | H21 | 120.3° | 120.5° |
| C27 | C28 | C29 | C30 | 67.3° | 69.8° |
| C27 | C28 | C29 | H16 | 120.4° | 120.1° |
| C27 | C28 | C29 | H17 | 120.4° | 119.9° |
| C28 | C27 | H14 | H15 | 120.7° | 120.4° |
| C27 | C28 | H16 | H17 | 118.8° | 119.9° |
| C27 | C28 | C29 | H18 | 172.2° | 50.1° |
| C27 | C28 | C29 | H19 | 53.3° | 170.2° |
| C30 | C29 | C28 | H18 | 120.5° | 120.0° |
| C30 | C29 | C28 | H19 | 120.5° | 120.0° |
| C30 | C29 | C28 | H16 | 172.3° | 170.1° |
| C30 | C29 | C28 | H17 | 53.1° | 50.1° |
| C30 | C29 | H18 | H19 | 118.3° | 120.1° |
| C29 | C30 | H20 | H21 | 120.3° | 120.6° |
| C29 | C28 | C27 | H14 | 65.4° | 69.5° |
| C29 | C28 | C27 | H15 | 174.1° | 170.0° |
| C29 | C28 | H16 | H17 | 118.7° | 120.0° |
| C28 | C29 | H18 | H19 | 118.4° | 120.0° |
| C28 | C29 | C30 | H20 | 80.6° | 70.4° |
| C28 | C29 | C30 | H21 | 159.3° | 169.0° |
| H3 | C17 | H4 | H5 | 120.0° | 120.0° |
| H6 | C15 | C14 | H7 | 0.2° | 0.0° |
| H7 | C14 | C13 | H8 | 0.0° | 0.0° |
| H8 | C13 | C12 | H9 | 0.0° | 0.1° |
| H12 | C22 | C23 | H13 | 0.7° | 0.1° |
| H14 | C27 | C28 | H16 | 55.0° | 50.6° |
| H14 | C27 | C28 | H17 | 174.1° | 170.5° |
| H15 | C27 | C28 | H16 | 65.5° | 69.9° |
| H15 | C27 | C28 | H17 | 53.7° | 50.0° |
| H16 | C28 | C29 | H18 | 51.8° | 69.9° |
| H16 | C28 | C29 | H19 | 67.1° | 50.1° |
| H17 | C28 | C29 | H18 | 67.4° | 170.1° |
| H17 | C28 | C29 | H19 | 173.7° | 69.9° |
| H18 | C29 | C30 | H20 | 40.0° | 169.7° |
| H18 | C29 | C30 | H21 | 80.2° | 49.1° |
| H19 | C29 | C30 | H20 | 158.9° | 49.6° |
| H19 | C29 | C30 | H21 | 38.7° | 71.0° |
