OE0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | sing | 1.36Å | 1.36Å | |
| C | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| O1 | C1 | sing | 1.36Å | 1.36Å | |
| C1 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | N | sing | 1.47Å | 1.47Å | |
| N | S | sing | 1.66Å | 1.61Å | |
| C10 | S | sing | 1.76Å | 1.76Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| O2 | C12 | sing | 1.36Å | 1.36Å | |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| O3 | C13 | sing | 1.36Å | 1.36Å | |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| O4 | S | doub | 1.42Å | 1.43Å | |
| S | O5 | doub | 1.42Å | 1.43Å | |
| C16 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| O3 | H12 | sing | 0.97Å | 0.95Å | |
| O2 | H11 | sing | 0.97Å | 0.95Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| O | H | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C1 | 121.7° | 120.0° |
| O | C | C19 | 118.8° | 120.1° |
| C | O | H | 109.5° | 114.0° |
| C | C1 | O1 | 120.8° | 120.1° |
| C | C1 | C2 | 119.7° | 119.8° |
| C1 | C | C19 | 119.4° | 119.8° |
| O1 | C1 | C2 | 119.4° | 120.0° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| C1 | C2 | C3 | 120.8° | 120.0° |
| C1 | C2 | H2 | 119.6° | 120.0° |
| C2 | C3 | C4 | 120.7° | 119.9° |
| C2 | C3 | C18 | 118.7° | 120.2° |
| C3 | C2 | H2 | 119.6° | 120.0° |
| C3 | C4 | C5 | 108.8° | 109.5° |
| C4 | C3 | C18 | 120.5° | 119.9° |
| C3 | C4 | H3 | 109.7° | 109.5° |
| C3 | C4 | H4 | 109.6° | 109.4° |
| C4 | C5 | C6 | 121.1° | 120.0° |
| C4 | C5 | C17 | 120.6° | 120.1° |
| C5 | C4 | H3 | 109.6° | 109.5° |
| C5 | C4 | H4 | 109.6° | 109.5° |
| C5 | C6 | C7 | 120.8° | 120.0° |
| C6 | C5 | C17 | 118.2° | 120.0° |
| C5 | C6 | H5 | 119.6° | 120.0° |
| C6 | C7 | C8 | 120.9° | 120.0° |
| C7 | C6 | H5 | 119.6° | 120.0° |
| C6 | C7 | H6 | 119.5° | 120.0° |
| C7 | C8 | C9 | 120.5° | 120.0° |
| C7 | C8 | C16 | 118.1° | 120.0° |
| C8 | C7 | H6 | 119.5° | 120.0° |
| C8 | C9 | N | 114.5° | 109.5° |
| C9 | C8 | C16 | 120.5° | 120.0° |
| C8 | C9 | H7 | 108.2° | 109.5° |
| C8 | C9 | H8 | 108.2° | 109.5° |
| C9 | N | S | 120.2° | 120.0° |
| C9 | N | H9 | 106.7° | 120.0° |
| N | C9 | H7 | 108.2° | 109.5° |
| N | C9 | H8 | 108.2° | 109.5° |
| N | S | C10 | 108.2° | 107.2° |
| N | S | O4 | 106.8° | 106.4° |
| N | S | O5 | 106.2° | 106.4° |
| S | N | H9 | 106.7° | 120.0° |
| S | C10 | C11 | 119.2° | 119.9° |
| S | C10 | C15 | 119.7° | 119.9° |
| C10 | S | O4 | 108.1° | 106.4° |
| C10 | S | O5 | 107.6° | 106.4° |
| C10 | C11 | C12 | 119.4° | 120.0° |
| C11 | C10 | C15 | 121.1° | 120.1° |
| C10 | C11 | H10 | 120.3° | 120.0° |
| C11 | C12 | O2 | 119.1° | 120.1° |
| C11 | C12 | C13 | 120.0° | 119.8° |
| C12 | C11 | H10 | 120.3° | 120.0° |
| O2 | C12 | C13 | 120.9° | 120.1° |
| C12 | O2 | H11 | 109.5° | 114.0° |
| C12 | C13 | O3 | 121.3° | 120.0° |
| C12 | C13 | C14 | 119.6° | 119.9° |
| O3 | C13 | C14 | 119.1° | 120.1° |
| C13 | O3 | H12 | 109.5° | 114.0° |
| C13 | C14 | C15 | 120.5° | 120.0° |
| C13 | C14 | H13 | 119.7° | 120.0° |
| C14 | C15 | C10 | 119.4° | 120.1° |
| C14 | C15 | H14 | 120.3° | 119.9° |
| C15 | C14 | H13 | 119.7° | 120.0° |
| C10 | C15 | H14 | 120.3° | 119.9° |
| O4 | S | O5 | 119.5° | 123.2° |
| C8 | C16 | C17 | 120.9° | 120.0° |
| C8 | C16 | H15 | 119.6° | 120.0° |
| C16 | C17 | C5 | 120.9° | 120.0° |
| C17 | C16 | H15 | 119.5° | 120.0° |
| C16 | C17 | H16 | 119.5° | 120.0° |
| C5 | C17 | H16 | 119.6° | 120.0° |
| C3 | C18 | C19 | 121.1° | 120.1° |
| C3 | C18 | H17 | 119.5° | 119.9° |
| C18 | C19 | C | 120.3° | 120.1° |
| C19 | C18 | H17 | 119.5° | 120.0° |
| C18 | C19 | H18 | 119.9° | 120.0° |
| C | C19 | H18 | 119.9° | 120.0° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H7 | C9 | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C1 | C19 | 176.7° | 180.0° |
| O | C | C1 | O1 | 7.1° | 0.2° |
| O | C | C1 | C2 | 174.7° | 180.0° |
| O | C | C19 | C18 | 176.0° | 179.5° |
| O | C | C19 | H18 | 4.0° | 0.3° |
| C | C1 | O1 | C2 | 178.3° | 179.8° |
| C | C1 | C2 | C3 | 1.6° | 0.2° |
| C1 | C | C19 | C18 | 0.7° | 0.5° |
| C | C1 | C2 | H2 | 178.5° | 179.7° |
| C | C1 | O1 | H1 | 180.0° | 89.7° |
| C1 | C | C19 | H18 | 179.3° | 179.8° |
| C1 | C | O | H | 180.0° | 90.0° |
| O1 | C1 | C2 | C3 | 176.7° | 180.0° |
| O1 | C1 | C | C19 | 176.3° | 179.7° |
| O1 | C1 | C2 | H2 | 3.2° | 0.1° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 175.7° | 180.0° |
| C1 | C2 | C3 | C18 | 0.2° | 0.0° |
| C2 | C1 | C | C19 | 2.0° | 0.0° |
| C2 | C1 | O1 | H1 | 1.7° | 90.1° |
| C2 | C3 | C4 | C18 | 175.5° | 180.0° |
| C2 | C3 | C4 | C5 | 79.2° | 89.9° |
| C2 | C3 | C18 | C19 | 1.5° | 0.5° |
| C2 | C3 | C4 | H3 | 160.9° | 150.0° |
| C2 | C3 | C4 | H4 | 40.6° | 30.0° |
| C2 | C3 | C18 | H17 | 178.5° | 180.0° |
| C3 | C4 | C5 | H3 | 119.9° | 120.0° |
| C3 | C4 | C5 | H4 | 119.9° | 119.9° |
| C3 | C4 | C5 | C6 | 88.0° | 90.0° |
| C3 | C4 | C5 | C17 | 88.8° | 90.2° |
| C4 | C3 | C18 | C19 | 177.0° | 179.5° |
| C3 | C4 | H3 | H4 | 120.4° | 120.0° |
| C4 | C3 | C2 | H2 | 4.3° | 0.1° |
| C4 | C3 | C18 | H17 | 3.0° | 0.0° |
| C4 | C5 | C6 | C17 | 176.9° | 179.7° |
| C4 | C5 | C6 | C7 | 178.8° | 180.0° |
| C4 | C5 | C17 | C16 | 178.6° | 180.0° |
| C5 | C4 | C3 | C18 | 96.2° | 90.1° |
| C5 | C4 | H3 | H4 | 120.3° | 120.0° |
| C4 | C5 | C6 | H5 | 1.2° | 0.0° |
| C4 | C5 | C17 | H16 | 1.4° | 0.1° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.9° | 0.0° |
| C6 | C5 | C17 | C16 | 1.7° | 0.2° |
| C6 | C5 | C4 | H3 | 152.2° | 30.0° |
| C6 | C5 | C4 | H4 | 31.9° | 150.0° |
| C5 | C6 | C7 | H6 | 179.1° | 180.0° |
| C6 | C5 | C17 | H16 | 178.3° | 179.7° |
| C6 | C7 | C8 | H6 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 164.9° | 180.0° |
| C6 | C7 | C8 | C16 | 3.8° | 0.2° |
| C7 | C6 | C5 | C17 | 1.9° | 0.3° |
| C7 | C8 | C9 | C16 | 168.5° | 179.8° |
| C7 | C8 | C9 | N | 84.0° | 90.0° |
| C7 | C8 | C16 | C17 | 4.1° | 0.2° |
| C8 | C7 | C6 | H5 | 179.1° | 180.0° |
| C7 | C8 | C9 | H7 | 155.3° | 30.0° |
| C7 | C8 | C9 | H8 | 36.8° | 150.0° |
| C7 | C8 | C16 | H15 | 175.9° | 179.8° |
| C8 | C9 | N | H7 | 120.7° | 120.0° |
| C8 | C9 | N | H8 | 120.7° | 120.0° |
| C8 | C9 | N | S | 159.9° | 165.0° |
| C9 | C8 | C16 | C17 | 164.7° | 180.0° |
| C8 | C9 | N | H9 | 38.4° | 15.0° |
| C8 | C9 | H7 | H8 | 117.7° | 120.0° |
| C9 | C8 | C7 | H6 | 15.1° | 0.1° |
| C9 | C8 | C16 | H15 | 15.4° | 0.0° |
| C9 | N | S | H9 | 121.5° | 180.0° |
| C9 | N | S | C10 | 14.6° | 65.0° |
| C9 | N | S | O4 | 101.6° | 178.6° |
| C9 | N | S | O5 | 129.8° | 48.5° |
| N | C9 | C8 | C16 | 107.6° | 89.8° |
| N | C9 | H7 | H8 | 117.7° | 120.0° |
| N | S | C10 | O4 | 115.3° | 113.5° |
| N | S | C10 | O5 | 114.3° | 113.5° |
| N | S | C10 | C11 | 112.1° | 90.0° |
| N | S | C10 | C15 | 70.3° | 89.7° |
| N | S | O4 | O5 | 120.4° | 123.0° |
| S | N | C9 | H7 | 79.4° | 75.0° |
| S | N | C9 | H8 | 39.1° | 45.0° |
| S | C10 | C11 | C15 | 177.6° | 179.7° |
| S | C10 | C11 | C12 | 177.3° | 179.8° |
| S | C10 | C15 | C14 | 177.3° | 180.0° |
| C10 | S | O4 | O5 | 123.4° | 123.0° |
| S | C10 | C15 | H14 | 2.7° | 0.1° |
| S | C10 | C11 | H10 | 2.7° | 0.0° |
| C10 | S | N | H9 | 136.1° | 115.0° |
| C10 | C11 | C12 | H10 | 180.0° | 179.7° |
| C10 | C11 | C12 | O2 | 178.7° | 179.8° |
| C10 | C11 | C12 | C13 | 0.4° | 0.5° |
| C11 | C10 | C15 | C14 | 0.2° | 0.3° |
| C11 | C10 | S | O4 | 3.2° | 23.5° |
| C11 | C10 | S | O5 | 133.6° | 156.5° |
| C11 | C10 | C15 | H14 | 179.7° | 179.8° |
| C11 | C12 | O2 | C13 | 179.2° | 179.7° |
| C11 | C12 | C13 | O3 | 179.3° | 179.7° |
| C11 | C12 | C13 | C14 | 0.7° | 0.3° |
| C12 | C11 | C10 | C15 | 0.2° | 0.5° |
| C11 | C12 | O2 | H11 | 180.0° | 89.7° |
| O2 | C12 | C13 | O3 | 1.5° | 0.0° |
| O2 | C12 | C13 | C14 | 178.5° | 180.0° |
| O2 | C12 | C11 | H10 | 1.3° | 0.0° |
| C12 | C13 | O3 | C14 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.7° | 0.0° |
| C12 | C13 | C14 | H13 | 179.3° | 179.9° |
| C12 | C13 | O3 | H12 | 180.0° | 90.0° |
| C13 | C12 | O2 | H11 | 0.8° | 90.0° |
| C13 | C12 | C11 | H10 | 179.5° | 179.8° |
| O3 | C13 | C14 | C15 | 179.3° | 180.0° |
| O3 | C13 | C14 | H13 | 0.7° | 0.0° |
| C13 | C14 | C15 | H13 | 180.0° | 180.0° |
| C13 | C14 | C15 | C10 | 0.5° | 0.0° |
| C13 | C14 | C15 | H14 | 179.5° | 180.0° |
| C14 | C13 | O3 | H12 | 0.1° | 90.0° |
| C14 | C15 | C10 | H14 | 180.0° | 179.9° |
| C15 | C10 | S | O4 | 174.3° | 156.8° |
| C15 | C10 | S | O5 | 44.0° | 23.8° |
| C10 | C15 | C14 | H13 | 179.5° | 179.9° |
| C15 | C10 | C11 | H10 | 179.7° | 179.8° |
| O4 | S | N | H9 | 19.9° | 1.4° |
| O5 | S | N | H9 | 108.7° | 131.5° |
| C8 | C16 | C17 | H15 | 180.0° | 179.9° |
| C8 | C16 | C17 | C5 | 1.4° | 0.0° |
| C16 | C8 | C9 | H7 | 13.2° | 150.2° |
| C16 | C8 | C9 | H8 | 131.7° | 30.2° |
| C16 | C8 | C7 | H6 | 176.1° | 179.8° |
| C8 | C16 | C17 | H16 | 178.6° | 179.9° |
| C16 | C17 | C5 | H16 | 180.0° | 179.9° |
| C17 | C5 | C4 | H3 | 31.1° | 149.7° |
| C17 | C5 | C4 | H4 | 151.3° | 29.7° |
| C17 | C5 | C6 | H5 | 178.1° | 179.8° |
| C5 | C17 | C16 | H15 | 178.6° | 180.0° |
| C3 | C18 | C19 | H17 | 180.0° | 179.5° |
| C3 | C18 | C19 | C | 1.0° | 0.8° |
| C18 | C3 | C4 | H3 | 23.6° | 30.0° |
| C18 | C3 | C4 | H4 | 143.9° | 150.0° |
| C18 | C3 | C2 | H2 | 179.8° | 179.9° |
| C3 | C18 | C19 | H18 | 179.0° | 180.0° |
| C18 | C19 | C | H18 | 180.0° | 179.2° |
| C | C19 | C18 | H17 | 179.0° | 179.7° |
| C19 | C | O | H | 3.3° | 90.0° |
| H5 | C6 | C7 | H6 | 0.9° | 0.0° |
| H14 | C15 | C14 | H13 | 0.5° | 0.0° |
| H9 | N | C9 | H7 | 159.1° | 105.0° |
| H9 | N | C9 | H8 | 82.4° | 135.0° |
| H15 | C16 | C17 | H16 | 1.4° | 0.1° |
| H17 | C18 | C19 | H18 | 1.0° | 0.5° |
