7EM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| O13 | C12 | sing | 1.36Å | 1.41Å | |
| C15 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.48Å | 1.52Å | |
| C09 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.52Å | Aromatic |
| C08 | C16 | doub | 1.37Å | 1.43Å | Aromatic |
| C07 | C06 | doub | 1.35Å | 1.43Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.48Å | 1.51Å | |
| C17 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | S24 | sing | 1.76Å | 1.61Å | Aromatic |
| C20 | O21 | sing | 1.36Å | 1.41Å | |
| C20 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | S24 | sing | 1.76Å | 1.61Å | Aromatic |
| C06 | C05 | sing | 1.48Å | 1.51Å | |
| C05 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.41Å | |
| C02 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| O13 | H7 | sing | 0.97Å | 0.95Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| O21 | H12 | sing | 0.97Å | 0.95Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C12 | 120.4° | 120.0° |
| C14 | C15 | C09 | 119.7° | 119.9° |
| C15 | C14 | H8 | 119.8° | 120.0° |
| C14 | C15 | H9 | 120.2° | 120.0° |
| C14 | C12 | O13 | 120.3° | 119.9° |
| C14 | C12 | C11 | 119.8° | 120.2° |
| C12 | C14 | H8 | 119.8° | 120.0° |
| O13 | C12 | C11 | 119.9° | 119.9° |
| C12 | O13 | H7 | 109.5° | 114.0° |
| C15 | C09 | C08 | 120.5° | 120.1° |
| C15 | C09 | C10 | 119.8° | 119.8° |
| C09 | C15 | H9 | 120.1° | 120.1° |
| C12 | C11 | C10 | 119.8° | 120.0° |
| C12 | C11 | H6 | 120.1° | 119.9° |
| C19 | C18 | C17 | 119.3° | 119.9° |
| C18 | C19 | C20 | 119.9° | 120.1° |
| C19 | C18 | H10 | 120.3° | 120.0° |
| C18 | C19 | H11 | 120.0° | 119.9° |
| C18 | C17 | C16 | 120.6° | 120.1° |
| C18 | C17 | C23 | 120.8° | 119.8° |
| C17 | C18 | H10 | 120.3° | 120.1° |
| C19 | C20 | O21 | 120.1° | 119.9° |
| C19 | C20 | C22 | 120.5° | 120.2° |
| C20 | C19 | H11 | 120.1° | 120.0° |
| C08 | C09 | C10 | 119.7° | 120.1° |
| C09 | C08 | C07 | 123.8° | 122.9° |
| C09 | C08 | C16 | 127.2° | 122.9° |
| C09 | C10 | C11 | 120.5° | 120.0° |
| C09 | C10 | H5 | 119.8° | 120.0° |
| C11 | C10 | H5 | 119.8° | 120.0° |
| C10 | C11 | H6 | 120.1° | 120.0° |
| C07 | C08 | C16 | 109.0° | 114.2° |
| C08 | C07 | C06 | 110.5° | 114.9° |
| C08 | C07 | H4 | 124.7° | 122.6° |
| C08 | C16 | C17 | 124.2° | 125.3° |
| C08 | C16 | S24 | 110.1° | 109.5° |
| C07 | C06 | S24 | 109.3° | 110.2° |
| C07 | C06 | C05 | 123.1° | 124.9° |
| C06 | C07 | H4 | 124.8° | 122.5° |
| C26 | C25 | C05 | 119.6° | 119.9° |
| C25 | C26 | C02 | 120.4° | 120.1° |
| C26 | C25 | H15 | 120.2° | 120.1° |
| C25 | C26 | H16 | 119.8° | 120.0° |
| C25 | C05 | C06 | 121.3° | 120.1° |
| C25 | C05 | C04 | 120.1° | 119.8° |
| C05 | C25 | H15 | 120.2° | 120.0° |
| C16 | C17 | C23 | 118.5° | 120.1° |
| C17 | C16 | S24 | 125.7° | 125.2° |
| C17 | C23 | C22 | 119.7° | 119.9° |
| C17 | C23 | H14 | 120.2° | 120.1° |
| C16 | S24 | C06 | 101.1° | 91.3° |
| O21 | C20 | C22 | 119.4° | 119.9° |
| C20 | O21 | H12 | 109.5° | 114.0° |
| C20 | C22 | C23 | 119.7° | 120.1° |
| C20 | C22 | H13 | 120.1° | 119.9° |
| C26 | C02 | O01 | 120.6° | 119.9° |
| C26 | C02 | C03 | 119.8° | 120.1° |
| C02 | C26 | H16 | 119.8° | 119.9° |
| S24 | C06 | C05 | 127.6° | 125.0° |
| C06 | C05 | C04 | 118.6° | 120.1° |
| C05 | C04 | C03 | 120.3° | 119.9° |
| C05 | C04 | H3 | 119.9° | 120.0° |
| C23 | C22 | H13 | 120.2° | 120.0° |
| C22 | C23 | H14 | 120.1° | 120.0° |
| O01 | C02 | C03 | 119.6° | 119.9° |
| C02 | O01 | H1 | 109.5° | 114.0° |
| C02 | C03 | C04 | 119.9° | 120.1° |
| C02 | C03 | H2 | 120.1° | 119.9° |
| C04 | C03 | H2 | 120.0° | 119.9° |
| C03 | C04 | H3 | 119.9° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C12 | H8 | 180.0° | 179.4° |
| C15 | C14 | C12 | O13 | 180.0° | 179.7° |
| C14 | C15 | C09 | H9 | 180.0° | 179.4° |
| C15 | C14 | C12 | C11 | 0.1° | 0.3° |
| C14 | C15 | C09 | C08 | 179.0° | 179.7° |
| C14 | C15 | C09 | C10 | 1.0° | 0.6° |
| C14 | C12 | O13 | C11 | 179.9° | 180.0° |
| C12 | C14 | C15 | C09 | 0.6° | 0.6° |
| C14 | C12 | C11 | C10 | 0.1° | 0.1° |
| C14 | C12 | C11 | H6 | 179.9° | 179.9° |
| C14 | C12 | O13 | H7 | 180.0° | 90.0° |
| C12 | C14 | C15 | H9 | 179.5° | 180.0° |
| O13 | C12 | C11 | C10 | 179.9° | 180.0° |
| O13 | C12 | C11 | H6 | 0.1° | 0.1° |
| O13 | C12 | C14 | H8 | 0.1° | 0.3° |
| C15 | C09 | C08 | C10 | 178.0° | 179.7° |
| C15 | C09 | C10 | C11 | 1.0° | 0.2° |
| C15 | C09 | C08 | C07 | 53.3° | 123.9° |
| C15 | C09 | C08 | C16 | 128.1° | 56.1° |
| C15 | C09 | C10 | H5 | 179.0° | 179.7° |
| C09 | C15 | C14 | H8 | 179.4° | 180.0° |
| C12 | C11 | C10 | C09 | 0.5° | 0.1° |
| C12 | C11 | C10 | H6 | 180.0° | 179.9° |
| C12 | C11 | C10 | H5 | 179.5° | 180.0° |
| C11 | C12 | O13 | H7 | 0.1° | 90.0° |
| C11 | C12 | C14 | H8 | 179.9° | 179.7° |
| C19 | C18 | C17 | H10 | 180.0° | 180.0° |
| C18 | C19 | C20 | H11 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 179.5° | 180.0° |
| C19 | C18 | C17 | C23 | 0.6° | 0.2° |
| C18 | C19 | C20 | O21 | 180.0° | 180.0° |
| C18 | C19 | C20 | C22 | 0.1° | 0.0° |
| C17 | C18 | C19 | C20 | 0.3° | 0.0° |
| C18 | C17 | C16 | C08 | 58.6° | 132.2° |
| C18 | C17 | C16 | C23 | 179.0° | 179.8° |
| C18 | C17 | C16 | S24 | 122.3° | 47.8° |
| C18 | C17 | C23 | C22 | 0.5° | 0.5° |
| C17 | C18 | C19 | H11 | 179.8° | 179.9° |
| C18 | C17 | C23 | H14 | 179.5° | 179.7° |
| C19 | C20 | O21 | C22 | 179.9° | 180.0° |
| C19 | C20 | C22 | C23 | 0.1° | 0.2° |
| C20 | C19 | C18 | H10 | 179.7° | 180.0° |
| C19 | C20 | O21 | H12 | 180.0° | 90.1° |
| C19 | C20 | C22 | H13 | 179.9° | 180.0° |
| C08 | C09 | C10 | C11 | 179.0° | 179.9° |
| C09 | C08 | C07 | C16 | 178.8° | 179.9° |
| C09 | C08 | C07 | C06 | 179.7° | 180.0° |
| C09 | C08 | C16 | C17 | 0.3° | 0.0° |
| C09 | C08 | C16 | S24 | 179.0° | 180.0° |
| C09 | C08 | C07 | H4 | 0.3° | 0.1° |
| C08 | C09 | C10 | H5 | 1.0° | 0.0° |
| C08 | C09 | C15 | H9 | 1.0° | 0.3° |
| C09 | C10 | C11 | H5 | 180.0° | 179.9° |
| C10 | C09 | C08 | C07 | 124.7° | 55.9° |
| C10 | C09 | C08 | C16 | 53.9° | 124.2° |
| C09 | C10 | C11 | H6 | 179.5° | 180.0° |
| C10 | C09 | C15 | H9 | 179.0° | 180.0° |
| C08 | C07 | C06 | H4 | 180.0° | 179.9° |
| C07 | C08 | C16 | C17 | 179.1° | 180.0° |
| C07 | C08 | C16 | S24 | 0.2° | 0.1° |
| C08 | C07 | C06 | S24 | 1.2° | 0.0° |
| C08 | C07 | C06 | C05 | 178.9° | 179.7° |
| C16 | C08 | C07 | C06 | 0.9° | 0.1° |
| C08 | C16 | C17 | S24 | 179.2° | 179.9° |
| C08 | C16 | C17 | C23 | 120.4° | 47.9° |
| C08 | C16 | S24 | C06 | 0.4° | 0.0° |
| C16 | C08 | C07 | H4 | 179.1° | 179.9° |
| C07 | C06 | C05 | C25 | 38.5° | 0.4° |
| C07 | C06 | S24 | C16 | 1.0° | 0.0° |
| C07 | C06 | S24 | C05 | 177.6° | 179.7° |
| C07 | C06 | C05 | C04 | 138.8° | 179.7° |
| C26 | C25 | C05 | H15 | 180.0° | 179.6° |
| C25 | C26 | C02 | H16 | 180.0° | 179.6° |
| C26 | C25 | C05 | C06 | 178.4° | 179.8° |
| C26 | C25 | C05 | C04 | 1.2° | 0.2° |
| C25 | C26 | C02 | O01 | 179.7° | 179.8° |
| C25 | C26 | C02 | C03 | 0.1° | 0.4° |
| C05 | C25 | C26 | C02 | 0.5° | 0.4° |
| C25 | C05 | C06 | S24 | 144.3° | 180.0° |
| C25 | C05 | C06 | C04 | 177.2° | 179.9° |
| C25 | C05 | C04 | C03 | 1.4° | 0.0° |
| C25 | C05 | C04 | H3 | 178.6° | 180.0° |
| C05 | C25 | C26 | H16 | 179.6° | 180.0° |
| C17 | C16 | S24 | C06 | 179.7° | 180.0° |
| C16 | C17 | C23 | C22 | 179.5° | 179.7° |
| C16 | C17 | C18 | H10 | 0.5° | 0.0° |
| C16 | C17 | C23 | H14 | 0.5° | 0.1° |
| C23 | C17 | C16 | S24 | 58.7° | 132.0° |
| C17 | C23 | C22 | C20 | 0.2° | 0.5° |
| C17 | C23 | C22 | H14 | 180.0° | 179.8° |
| C23 | C17 | C18 | H10 | 179.4° | 179.8° |
| C17 | C23 | C22 | H13 | 179.8° | 179.7° |
| C16 | S24 | C06 | C05 | 178.5° | 179.7° |
| O21 | C20 | C22 | C23 | 179.9° | 179.7° |
| O21 | C20 | C19 | H11 | 0.0° | 0.0° |
| O21 | C20 | C22 | H13 | 0.1° | 0.1° |
| C20 | C22 | C23 | H13 | 180.0° | 179.8° |
| C22 | C20 | C19 | H11 | 179.9° | 179.9° |
| C22 | C20 | O21 | H12 | 0.1° | 89.9° |
| C20 | C22 | C23 | H14 | 179.8° | 179.7° |
| C26 | C02 | O01 | C03 | 179.8° | 179.8° |
| C26 | C02 | C03 | C04 | 0.2° | 0.2° |
| C26 | C02 | O01 | H1 | 180.0° | 90.2° |
| C26 | C02 | C03 | H2 | 179.9° | 179.7° |
| C02 | C26 | C25 | H15 | 179.6° | 180.0° |
| S24 | C06 | C05 | C04 | 38.5° | 0.0° |
| S24 | C06 | C07 | H4 | 178.8° | 179.9° |
| C06 | C05 | C04 | C03 | 178.7° | 180.0° |
| C06 | C05 | C04 | H3 | 1.3° | 0.1° |
| C05 | C06 | C07 | H4 | 1.1° | 0.4° |
| C06 | C05 | C25 | H15 | 1.6° | 0.2° |
| C05 | C04 | C03 | C02 | 0.9° | 0.0° |
| C05 | C04 | C03 | H3 | 180.0° | 180.0° |
| C05 | C04 | C03 | H2 | 179.1° | 180.0° |
| C04 | C05 | C25 | H15 | 178.8° | 179.8° |
| O01 | C02 | C03 | C04 | 180.0° | 180.0° |
| O01 | C02 | C03 | H2 | 0.1° | 0.1° |
| O01 | C02 | C26 | H16 | 0.3° | 0.2° |
| C02 | C03 | C04 | H2 | 180.0° | 179.9° |
| C03 | C02 | O01 | H1 | 0.2° | 90.0° |
| C02 | C03 | C04 | H3 | 179.1° | 180.0° |
| C03 | C02 | C26 | H16 | 179.9° | 180.0° |
| H2 | C03 | C04 | H3 | 0.9° | 0.1° |
| H5 | C10 | C11 | H6 | 0.5° | 0.1° |
| H8 | C14 | C15 | H9 | 0.5° | 0.6° |
| H10 | C18 | C19 | H11 | 0.2° | 0.1° |
| H13 | C22 | C23 | H14 | 0.2° | 0.0° |
| H15 | C25 | C26 | H16 | 0.4° | 0.4° |
