OE1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | N4 | sing | 1.47Å | 1.49Å | |
| N4 | C5 | sing | 1.47Å | 1.48Å | |
| N4 | S8 | sing | 1.66Å | 1.72Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| S8 | O9 | doub | 1.42Å | 1.45Å | |
| S8 | O10 | doub | 1.42Å | 1.45Å | |
| S8 | C11 | sing | 1.76Å | 1.79Å | |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C16 | doub | 1.37Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.41Å | 1.38Å | Aromatic |
| C14 | N19 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | N17 | sing | 1.36Å | 1.37Å | Aromatic |
| N17 | C18 | doub | 1.31Å | 1.32Å | Aromatic |
| C18 | N19 | sing | 1.37Å | 1.36Å | Aromatic |
| C18 | C21 | sing | 1.48Å | 1.45Å | |
| C21 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C26 | doub | 1.40Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C7 | H73C | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| N19 | H19 | sing | 0.97Å | 1.00Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 111.0° | 109.5° |
| C2 | C1 | H11C | 109.5° | 109.4° |
| C2 | C1 | H12C | 109.5° | 109.4° |
| C2 | C1 | H13C | 109.4° | 109.5° |
| C1 | C2 | H21C | 109.1° | 109.5° |
| C1 | C2 | H22C | 109.1° | 109.4° |
| C2 | C3 | N4 | 113.3° | 109.5° |
| C3 | C2 | H21C | 109.0° | 109.5° |
| C3 | C2 | H22C | 109.1° | 109.5° |
| C2 | C3 | H31C | 108.5° | 109.5° |
| C2 | C3 | H32C | 108.5° | 109.5° |
| C3 | N4 | C5 | 114.4° | 119.9° |
| C3 | N4 | S8 | 115.9° | 120.0° |
| N4 | C3 | H31C | 108.5° | 109.5° |
| N4 | C3 | H32C | 108.5° | 109.4° |
| C5 | N4 | S8 | 115.5° | 120.0° |
| N4 | C5 | C6 | 110.6° | 109.5° |
| N4 | C5 | H51C | 109.2° | 109.5° |
| N4 | C5 | H52C | 109.2° | 109.5° |
| N4 | S8 | O9 | 110.9° | 106.4° |
| N4 | S8 | O10 | 109.4° | 106.4° |
| N4 | S8 | C11 | 103.1° | 107.2° |
| C5 | C6 | C7 | 107.5° | 109.5° |
| C6 | C5 | H51C | 109.2° | 109.4° |
| C6 | C5 | H52C | 109.2° | 109.5° |
| C5 | C6 | H61C | 109.9° | 109.5° |
| C5 | C6 | H62C | 110.0° | 109.5° |
| C7 | C6 | H61C | 109.9° | 109.5° |
| C7 | C6 | H62C | 109.9° | 109.5° |
| C6 | C7 | H71C | 109.5° | 109.5° |
| C6 | C7 | H72C | 109.4° | 109.5° |
| C6 | C7 | H73C | 109.5° | 109.5° |
| O9 | S8 | O10 | 118.3° | 123.1° |
| O9 | S8 | C11 | 107.3° | 106.4° |
| O10 | S8 | C11 | 106.7° | 106.4° |
| S8 | C11 | C12 | 119.3° | 119.7° |
| S8 | C11 | C16 | 117.9° | 119.7° |
| C12 | C11 | C16 | 122.8° | 120.7° |
| C11 | C12 | C13 | 121.8° | 120.4° |
| C11 | C12 | H12 | 119.1° | 119.7° |
| C11 | C16 | C15 | 116.3° | 119.9° |
| C11 | C16 | H16 | 121.8° | 120.1° |
| C12 | C13 | C14 | 114.3° | 119.7° |
| C13 | C12 | H12 | 119.1° | 119.8° |
| C12 | C13 | H13 | 122.8° | 120.1° |
| C13 | C14 | C15 | 125.1° | 119.8° |
| C13 | C14 | N19 | 131.1° | 133.9° |
| C14 | C13 | H13 | 122.9° | 120.1° |
| C15 | C14 | N19 | 103.8° | 106.2° |
| C14 | C15 | C16 | 119.7° | 119.5° |
| C14 | C15 | N17 | 110.2° | 107.2° |
| C14 | N19 | C18 | 110.1° | 107.2° |
| C14 | N19 | H19 | 125.0° | 126.4° |
| C16 | C15 | N17 | 130.1° | 133.4° |
| C15 | C16 | H16 | 121.8° | 120.1° |
| C15 | N17 | C18 | 107.1° | 109.6° |
| N17 | C18 | N19 | 108.8° | 109.8° |
| N17 | C18 | C21 | 127.5° | 125.1° |
| N19 | C18 | C21 | 123.6° | 125.1° |
| C18 | N19 | H19 | 124.9° | 126.4° |
| C18 | C21 | C22 | 121.8° | 120.1° |
| C18 | C21 | C26 | 120.3° | 120.1° |
| C22 | C21 | C26 | 117.9° | 119.7° |
| C21 | C22 | C23 | 121.5° | 119.9° |
| C21 | C22 | H22 | 119.2° | 120.1° |
| C21 | C26 | C25 | 121.0° | 119.8° |
| C21 | C26 | H26 | 119.5° | 120.1° |
| C22 | C23 | C24 | 119.7° | 120.2° |
| C23 | C22 | H22 | 119.2° | 120.0° |
| C22 | C23 | H23 | 120.1° | 120.0° |
| C23 | C24 | C25 | 119.6° | 120.3° |
| C24 | C23 | H23 | 120.1° | 119.9° |
| C23 | C24 | H24 | 120.2° | 119.8° |
| C24 | C25 | C26 | 120.2° | 120.2° |
| C25 | C24 | H24 | 120.2° | 119.9° |
| C24 | C25 | H25 | 119.9° | 119.9° |
| C25 | C26 | H26 | 119.5° | 120.1° |
| C26 | C25 | H25 | 119.9° | 119.9° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11C | C1 | H13C | 109.5° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.5° |
| H21C | C2 | H22C | 109.5° | 109.5° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H51C | C5 | H52C | 109.4° | 109.5° |
| H61C | C6 | H62C | 109.5° | 109.4° |
| H71C | C7 | H72C | 109.5° | 109.5° |
| H71C | C7 | H73C | 109.5° | 109.5° |
| H72C | C7 | H73C | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H21C | 120.2° | 120.0° |
| C1 | C2 | C3 | H22C | 120.2° | 119.9° |
| C1 | C2 | C3 | N4 | 133.3° | 180.0° |
| C2 | C1 | H11C | H12C | 120.0° | 119.9° |
| C2 | C1 | H11C | H13C | 120.0° | 120.0° |
| C2 | C1 | H12C | H13C | 120.0° | 120.0° |
| C1 | C2 | H21C | H22C | 119.3° | 119.9° |
| C1 | C2 | C3 | H31C | 12.7° | 59.9° |
| C1 | C2 | C3 | H32C | 106.2° | 60.0° |
| C2 | C3 | N4 | H31C | 120.5° | 120.0° |
| C2 | C3 | N4 | H32C | 120.6° | 119.9° |
| C2 | C3 | N4 | C5 | 31.7° | 85.0° |
| C2 | C3 | N4 | S8 | 106.5° | 94.9° |
| C3 | C2 | C1 | H11C | 180.0° | 180.0° |
| C3 | C2 | C1 | H12C | 60.0° | 60.1° |
| C3 | C2 | C1 | H13C | 60.0° | 59.9° |
| C3 | C2 | H21C | H22C | 119.3° | 120.0° |
| C2 | C3 | H31C | H32C | 118.3° | 120.0° |
| C3 | N4 | C5 | S8 | 138.4° | 180.0° |
| C3 | N4 | C5 | C6 | 100.5° | 85.0° |
| C3 | N4 | S8 | O9 | 144.9° | 156.4° |
| C3 | N4 | S8 | O10 | 12.7° | 23.6° |
| C3 | N4 | S8 | C11 | 100.5° | 90.0° |
| N4 | C3 | C2 | H21C | 106.5° | 60.0° |
| N4 | C3 | C2 | H22C | 13.0° | 60.1° |
| N4 | C3 | H31C | H32C | 118.3° | 120.0° |
| C3 | N4 | C5 | H51C | 19.7° | 155.0° |
| C3 | N4 | C5 | H52C | 139.3° | 35.0° |
| N4 | C5 | C6 | H51C | 120.2° | 120.0° |
| N4 | C5 | C6 | H52C | 120.2° | 120.0° |
| N4 | C5 | C6 | C7 | 176.6° | 180.0° |
| C5 | N4 | S8 | O9 | 7.2° | 23.6° |
| C5 | N4 | S8 | O10 | 125.0° | 156.5° |
| C5 | N4 | S8 | C11 | 121.8° | 90.0° |
| C5 | N4 | C3 | H31C | 152.2° | 35.0° |
| C5 | N4 | C3 | H32C | 88.9° | 155.0° |
| N4 | C5 | H51C | H52C | 119.5° | 120.1° |
| N4 | C5 | C6 | H61C | 56.9° | 60.0° |
| N4 | C5 | C6 | H62C | 63.7° | 59.9° |
| S8 | N4 | C5 | C6 | 121.1° | 95.0° |
| N4 | S8 | O9 | O10 | 127.5° | 122.9° |
| N4 | S8 | O9 | C11 | 111.9° | 114.1° |
| N4 | S8 | O10 | C11 | 110.8° | 114.1° |
| N4 | S8 | C11 | C12 | 98.3° | 90.0° |
| N4 | S8 | C11 | C16 | 82.0° | 90.3° |
| S8 | N4 | C3 | H31C | 14.0° | 145.0° |
| S8 | N4 | C3 | H32C | 132.9° | 25.0° |
| S8 | N4 | C5 | H51C | 118.7° | 24.9° |
| S8 | N4 | C5 | H52C | 0.9° | 145.0° |
| C5 | C6 | C7 | H61C | 119.7° | 120.0° |
| C5 | C6 | C7 | H62C | 119.7° | 120.0° |
| C6 | C5 | H51C | H52C | 119.5° | 120.0° |
| C5 | C6 | H61C | H62C | 120.9° | 120.0° |
| C5 | C6 | C7 | H71C | 180.0° | 180.0° |
| C5 | C6 | C7 | H72C | 60.0° | 60.0° |
| C5 | C6 | C7 | H73C | 60.0° | 60.0° |
| C7 | C6 | C5 | H51C | 63.2° | 60.0° |
| C7 | C6 | C5 | H52C | 56.4° | 60.0° |
| C7 | C6 | H61C | H62C | 120.9° | 119.9° |
| C6 | C7 | H71C | H72C | 120.0° | 120.0° |
| C6 | C7 | H71C | H73C | 120.0° | 120.0° |
| C6 | C7 | H72C | H73C | 120.0° | 120.0° |
| O9 | S8 | O10 | C11 | 121.0° | 123.0° |
| O9 | S8 | C11 | C12 | 18.8° | 23.5° |
| O9 | S8 | C11 | C16 | 160.9° | 156.2° |
| O10 | S8 | C11 | C12 | 146.6° | 156.4° |
| O10 | S8 | C11 | C16 | 33.2° | 23.2° |
| S8 | C11 | C12 | C16 | 179.7° | 179.7° |
| S8 | C11 | C12 | C13 | 179.7° | 180.0° |
| S8 | C11 | C16 | C15 | 179.8° | 179.8° |
| S8 | C11 | C12 | H12 | 0.3° | 0.0° |
| S8 | C11 | C16 | H16 | 0.2° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C12 | C11 | C16 | C15 | 0.1° | 0.5° |
| C12 | C11 | C16 | H16 | 179.9° | 179.7° |
| C11 | C12 | C13 | H13 | 179.7° | 180.0° |
| C16 | C11 | C12 | C13 | 0.0° | 0.3° |
| C11 | C16 | C15 | C14 | 0.4° | 0.5° |
| C11 | C16 | C15 | H16 | 180.0° | 179.8° |
| C11 | C16 | C15 | N17 | 179.1° | 179.8° |
| C16 | C11 | C12 | H12 | 180.0° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.6° | 0.0° |
| C12 | C13 | C14 | N19 | 179.7° | 180.0° |
| C13 | C14 | C15 | N19 | 179.7° | 180.0° |
| C13 | C14 | C15 | C16 | 0.7° | 0.2° |
| C13 | C14 | C15 | N17 | 179.6° | 180.0° |
| C13 | C14 | N19 | C18 | 180.0° | 180.0° |
| C14 | C13 | C12 | H12 | 179.7° | 180.0° |
| C13 | C14 | N19 | H19 | 0.0° | 0.0° |
| C14 | C15 | C16 | N17 | 178.7° | 179.7° |
| C14 | C15 | N17 | C18 | 0.7° | 0.0° |
| C15 | C14 | N19 | C18 | 0.3° | 0.0° |
| C14 | C15 | C16 | H16 | 179.6° | 179.7° |
| C15 | C14 | C13 | H13 | 179.4° | 180.0° |
| C15 | C14 | N19 | H19 | 179.7° | 180.0° |
| N19 | C14 | C15 | C16 | 179.6° | 179.8° |
| N19 | C14 | C15 | N17 | 0.6° | 0.0° |
| C14 | N19 | C18 | N17 | 0.1° | 0.0° |
| C14 | N19 | C18 | H19 | 180.0° | 180.0° |
| C14 | N19 | C18 | C21 | 177.4° | 180.0° |
| N19 | C14 | C13 | H13 | 0.3° | 0.0° |
| C16 | C15 | N17 | C18 | 179.5° | 179.7° |
| C15 | N17 | C18 | N19 | 0.5° | 0.0° |
| C15 | N17 | C18 | C21 | 177.6° | 180.0° |
| N17 | C15 | C16 | H16 | 0.9° | 0.1° |
| N17 | C18 | N19 | C21 | 177.2° | 179.9° |
| N17 | C18 | C21 | C22 | 174.8° | 0.1° |
| N17 | C18 | C21 | C26 | 2.3° | 179.8° |
| N17 | C18 | N19 | H19 | 179.9° | 180.0° |
| N19 | C18 | C21 | C22 | 1.9° | 180.0° |
| N19 | C18 | C21 | C26 | 179.0° | 0.3° |
| C18 | C21 | C22 | C26 | 177.2° | 179.7° |
| C18 | C21 | C22 | C23 | 177.1° | 179.9° |
| C18 | C21 | C26 | C25 | 177.8° | 179.8° |
| C21 | C18 | N19 | H19 | 2.7° | 0.0° |
| C18 | C21 | C22 | H22 | 2.9° | 0.0° |
| C18 | C21 | C26 | H26 | 2.2° | 0.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.1° |
| C22 | C21 | C26 | C25 | 0.6° | 0.5° |
| C22 | C21 | C26 | H26 | 179.4° | 179.7° |
| C21 | C22 | C23 | H23 | 179.7° | 180.0° |
| C26 | C21 | C22 | C23 | 0.1° | 0.2° |
| C21 | C26 | C25 | C24 | 1.1° | 0.5° |
| C21 | C26 | C25 | H26 | 180.0° | 179.8° |
| C26 | C21 | C22 | H22 | 179.9° | 179.8° |
| C21 | C26 | C25 | H25 | 178.9° | 179.7° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.2° | 0.0° |
| C22 | C23 | C24 | H24 | 179.9° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.8° | 0.3° |
| C24 | C23 | C22 | H22 | 179.7° | 180.0° |
| C23 | C24 | C25 | H25 | 179.1° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.8° |
| C24 | C25 | C26 | H26 | 178.9° | 179.7° |
| C25 | C24 | C23 | H23 | 179.9° | 180.0° |
| C26 | C25 | C24 | H24 | 179.2° | 179.7° |
| H11C | C1 | H12C | H13C | 120.0° | 120.1° |
| H11C | C1 | C2 | H21C | 59.8° | 60.0° |
| H11C | C1 | C2 | H22C | 59.8° | 60.0° |
| H12C | C1 | C2 | H21C | 60.2° | 60.0° |
| H12C | C1 | C2 | H22C | 179.8° | NaN° |
| H13C | C1 | C2 | H21C | 179.8° | 180.0° |
| H13C | C1 | C2 | H22C | 60.2° | 60.0° |
| H21C | C2 | C3 | H31C | 132.9° | 179.9° |
| H21C | C2 | C3 | H32C | 14.1° | 60.0° |
| H22C | C2 | C3 | H31C | 107.5° | 60.0° |
| H22C | C2 | C3 | H32C | 133.6° | 180.0° |
| H51C | C5 | C6 | H61C | 177.1° | 180.0° |
| H51C | C5 | C6 | H62C | 56.5° | 60.0° |
| H52C | C5 | C6 | H61C | 63.2° | 60.0° |
| H52C | C5 | C6 | H62C | 176.1° | 180.0° |
| H61C | C6 | C7 | H71C | 60.3° | 60.0° |
| H61C | C6 | C7 | H72C | 179.7° | 180.0° |
| H61C | C6 | C7 | H73C | 59.7° | 60.0° |
| H62C | C6 | C7 | H71C | 60.3° | 59.9° |
| H62C | C6 | C7 | H72C | 59.7° | 60.1° |
| H62C | C6 | C7 | H73C | 179.7° | 179.9° |
| H71C | C7 | H72C | H73C | 120.0° | 120.0° |
| H12 | C12 | C13 | H13 | 0.3° | 0.0° |
| H22 | C22 | C23 | H23 | 0.3° | 0.0° |
| H26 | C26 | C25 | H25 | 1.1° | 0.1° |
| H23 | C23 | C24 | H24 | 0.1° | 0.0° |
| H24 | C24 | C25 | H25 | 0.8° | 0.0° |
