7M1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | C27 | sing | 1.36Å | 1.40Å | |
| C27 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.48Å | 1.51Å | |
| O01 | C02 | sing | 1.36Å | 1.41Å | |
| C02 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C02 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C08 | sing | 1.40Å | 1.40Å | Aromatic |
| C04 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.48Å | 1.51Å | |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C09 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | S11 | sing | 1.76Å | 1.77Å | |
| O12 | S11 | sing | 1.52Å | 1.51Å | |
| O12 | C13 | sing | 1.36Å | 1.41Å | |
| S11 | O19 | doub | 1.42Å | 1.51Å | |
| S11 | O20 | doub | 1.42Å | 1.51Å | |
| C18 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | 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 | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| O28 | H16 | sing | 0.97Å | 0.95Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | C27 | C29 | 120.7° | 120.0° |
| O28 | C27 | C26 | 118.9° | 119.9° |
| C27 | O28 | H16 | 109.5° | 114.0° |
| C29 | C27 | C26 | 120.4° | 120.1° |
| C27 | C29 | C30 | 119.5° | 120.1° |
| C27 | C29 | H17 | 120.3° | 120.0° |
| C27 | C26 | C25 | 119.9° | 120.0° |
| C27 | C26 | H15 | 120.0° | 119.9° |
| C29 | C30 | C24 | 120.2° | 119.9° |
| C30 | C29 | H17 | 120.3° | 120.0° |
| C29 | C30 | H18 | 119.9° | 120.0° |
| C26 | C25 | C24 | 120.2° | 119.9° |
| C26 | C25 | H14 | 119.9° | 120.0° |
| C25 | C26 | H15 | 120.1° | 120.0° |
| C30 | C24 | C25 | 119.8° | 119.9° |
| C30 | C24 | C23 | 122.7° | 120.1° |
| C24 | C30 | H18 | 119.9° | 120.0° |
| C25 | C24 | C23 | 117.5° | 120.0° |
| C24 | C25 | H14 | 119.9° | 120.1° |
| C24 | C23 | C22 | 115.5° | 120.2° |
| C24 | C23 | C08 | 125.3° | 120.2° |
| O01 | C02 | C03 | 119.6° | 120.0° |
| O01 | C02 | C05 | 120.2° | 119.9° |
| C02 | O01 | H1 | 109.5° | 114.0° |
| C03 | C02 | C05 | 120.2° | 120.1° |
| C02 | C03 | C04 | 119.7° | 120.1° |
| C02 | C03 | H2 | 120.2° | 119.9° |
| C02 | C05 | C06 | 120.2° | 120.0° |
| C02 | C05 | H4 | 119.9° | 119.9° |
| C03 | C04 | C07 | 120.2° | 120.0° |
| C04 | C03 | H2 | 120.2° | 120.0° |
| C03 | C04 | H3 | 119.9° | 120.1° |
| C05 | C06 | C07 | 119.6° | 120.0° |
| C06 | C05 | H4 | 119.9° | 120.0° |
| C05 | C06 | H5 | 120.2° | 120.0° |
| C22 | C23 | C08 | 119.2° | 119.6° |
| C23 | C22 | C21 | 121.3° | 120.0° |
| C23 | C22 | H13 | 119.4° | 120.0° |
| C23 | C08 | C07 | 125.9° | 120.2° |
| C23 | C08 | C09 | 119.3° | 119.6° |
| C04 | C07 | C06 | 120.3° | 119.8° |
| C04 | C07 | C08 | 118.2° | 120.1° |
| C07 | C04 | H3 | 119.9° | 120.0° |
| C06 | C07 | C08 | 121.5° | 120.1° |
| C07 | C06 | H5 | 120.2° | 120.0° |
| C07 | C08 | C09 | 114.8° | 120.2° |
| C22 | C21 | C10 | 119.0° | 120.4° |
| C22 | C21 | H12 | 120.5° | 119.8° |
| C21 | C22 | H13 | 119.4° | 120.0° |
| C08 | C09 | C10 | 120.9° | 120.0° |
| C08 | C09 | H6 | 119.6° | 120.0° |
| C21 | C10 | C09 | 120.5° | 120.4° |
| C21 | C10 | S11 | 120.7° | 119.8° |
| C10 | C21 | H12 | 120.5° | 119.8° |
| C09 | C10 | S11 | 118.8° | 119.9° |
| C10 | C09 | H6 | 119.6° | 120.0° |
| C10 | S11 | O12 | 107.7° | 107.2° |
| C10 | S11 | O19 | 109.5° | 106.4° |
| C10 | S11 | O20 | 112.2° | 106.4° |
| S11 | O12 | C13 | 122.5° | 114.0° |
| O12 | S11 | O19 | 111.0° | 106.4° |
| O12 | S11 | O20 | 113.7° | 106.4° |
| O12 | C13 | C18 | 120.8° | 120.1° |
| O12 | C13 | C14 | 119.6° | 120.0° |
| O19 | S11 | O20 | 102.8° | 123.2° |
| C13 | C18 | C17 | 120.2° | 119.9° |
| C18 | C13 | C14 | 119.5° | 119.9° |
| C13 | C18 | H11 | 119.9° | 120.0° |
| C18 | C17 | C16 | 120.0° | 120.1° |
| C18 | C17 | H10 | 120.0° | 120.0° |
| C17 | C18 | H11 | 119.9° | 120.1° |
| C13 | C14 | C15 | 120.3° | 119.9° |
| C13 | C14 | H7 | 119.9° | 120.0° |
| C17 | C16 | C15 | 119.8° | 120.1° |
| C17 | C16 | H9 | 120.1° | 120.0° |
| C16 | C17 | H10 | 120.0° | 119.9° |
| C14 | C15 | C16 | 120.1° | 120.0° |
| C15 | C14 | H7 | 119.8° | 120.1° |
| C14 | C15 | H8 | 119.9° | 120.0° |
| C16 | C15 | H8 | 119.9° | 120.0° |
| C15 | C16 | H9 | 120.1° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | C27 | C29 | C26 | 179.9° | 179.7° |
| O28 | C27 | C29 | C30 | 179.7° | 180.0° |
| O28 | C27 | C26 | C25 | 179.9° | 179.7° |
| O28 | C27 | C26 | H15 | 0.0° | 0.3° |
| O28 | C27 | C29 | H17 | 0.3° | 0.3° |
| C27 | C29 | C30 | H17 | 180.0° | 179.7° |
| C29 | C27 | C26 | C25 | 0.0° | 0.0° |
| C27 | C29 | C30 | C24 | 1.0° | 0.6° |
| C29 | C27 | C26 | H15 | 179.9° | 180.0° |
| C29 | C27 | O28 | H16 | 180.0° | 90.0° |
| C27 | C29 | C30 | H18 | 179.0° | 180.0° |
| C26 | C27 | C29 | C30 | 0.2° | 0.3° |
| C27 | C26 | C25 | H15 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.5° | 0.0° |
| C27 | C26 | C25 | H14 | 179.5° | 180.0° |
| C26 | C27 | O28 | H16 | 0.1° | 89.7° |
| C26 | C27 | C29 | H17 | 179.8° | 180.0° |
| C29 | C30 | C24 | H18 | 180.0° | 179.4° |
| C29 | C30 | C24 | C25 | 1.6° | 0.6° |
| C29 | C30 | C24 | C23 | 179.3° | 179.7° |
| C26 | C25 | C24 | C30 | 1.4° | 0.3° |
| C26 | C25 | C24 | H14 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 179.1° | 180.0° |
| C30 | C24 | C25 | C23 | 177.8° | 179.8° |
| C30 | C24 | C23 | C22 | 141.4° | 129.7° |
| C30 | C24 | C23 | C08 | 38.3° | 50.7° |
| C30 | C24 | C25 | H14 | 178.6° | 179.7° |
| C24 | C30 | C29 | H17 | 179.0° | 179.7° |
| C25 | C24 | C23 | C22 | 36.3° | 50.0° |
| C25 | C24 | C23 | C08 | 144.0° | 129.5° |
| C24 | C25 | C26 | H15 | 179.5° | 180.0° |
| C25 | C24 | C30 | H18 | 178.4° | 180.0° |
| C24 | C23 | C22 | C08 | 179.7° | 179.6° |
| C24 | C23 | C08 | C07 | 0.1° | 0.2° |
| C24 | C23 | C22 | C21 | 179.7° | 179.9° |
| C24 | C23 | C08 | C09 | 179.6° | 180.0° |
| C24 | C23 | C22 | H13 | 0.3° | 0.2° |
| C23 | C24 | C25 | H14 | 0.9° | 0.0° |
| C23 | C24 | C30 | H18 | 0.7° | 0.2° |
| O01 | C02 | C03 | C05 | 179.9° | 179.7° |
| O01 | C02 | C03 | C04 | 179.9° | 180.0° |
| O01 | C02 | C05 | C06 | 179.8° | 180.0° |
| O01 | C02 | C03 | H2 | 0.1° | 0.0° |
| O01 | C02 | C05 | H4 | 0.1° | 0.0° |
| C02 | C03 | C04 | H2 | 180.0° | 180.0° |
| C03 | C02 | C05 | C06 | 0.1° | 0.3° |
| C02 | C03 | C04 | C07 | 0.5° | 0.0° |
| C03 | C02 | O01 | H1 | 180.0° | 90.0° |
| C02 | C03 | C04 | H3 | 179.5° | 180.0° |
| C03 | C02 | C05 | H4 | 180.0° | 179.7° |
| C05 | C02 | C03 | C04 | 0.0° | 0.3° |
| C02 | C05 | C06 | H4 | 180.0° | 180.0° |
| C02 | C05 | C06 | C07 | 0.5° | 0.0° |
| C05 | C02 | O01 | H1 | 0.1° | 90.3° |
| C05 | C02 | C03 | H2 | 180.0° | 179.7° |
| C02 | C05 | C06 | H5 | 179.5° | 179.9° |
| C03 | C04 | C07 | H3 | 180.0° | 180.0° |
| C03 | C04 | C07 | C06 | 1.0° | 0.3° |
| C03 | C04 | C07 | C08 | 179.1° | 180.0° |
| C05 | C06 | C07 | C04 | 1.0° | 0.3° |
| C05 | C06 | C07 | H5 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 179.0° | 180.0° |
| C22 | C23 | C08 | C07 | 179.8° | 179.8° |
| C23 | C22 | C21 | H13 | 180.0° | 179.7° |
| C22 | C23 | C08 | C09 | 0.1° | 0.5° |
| C23 | C22 | C21 | C10 | 0.3° | 0.3° |
| C23 | C22 | C21 | H12 | 179.7° | 179.8° |
| C23 | C08 | C07 | C04 | 115.2° | 129.8° |
| C23 | C08 | C07 | C06 | 66.7° | 50.0° |
| C23 | C08 | C07 | C09 | 179.7° | 179.8° |
| C08 | C23 | C22 | C21 | 0.1° | 0.5° |
| C23 | C08 | C09 | C10 | 0.3° | 0.2° |
| C23 | C08 | C09 | H6 | 179.7° | 179.8° |
| C08 | C23 | C22 | H13 | 180.0° | 179.8° |
| C04 | C07 | C06 | C08 | 178.0° | 179.7° |
| C04 | C07 | C08 | C09 | 64.5° | 50.0° |
| C07 | C04 | C03 | H2 | 179.5° | 180.0° |
| C04 | C07 | C06 | H5 | 179.0° | 179.7° |
| C06 | C07 | C08 | C09 | 113.5° | 130.2° |
| C06 | C07 | C04 | H3 | 179.0° | 179.8° |
| C07 | C06 | C05 | H4 | 179.5° | 180.0° |
| C07 | C08 | C09 | C10 | 180.0° | 180.0° |
| C08 | C07 | C04 | H3 | 0.9° | 0.0° |
| C08 | C07 | C06 | H5 | 0.9° | 0.1° |
| C07 | C08 | C09 | H6 | 0.0° | 0.0° |
| C22 | C21 | C10 | H12 | 180.0° | 179.9° |
| C22 | C21 | C10 | C09 | 0.5° | 0.0° |
| C22 | C21 | C10 | S11 | 179.7° | 180.0° |
| C08 | C09 | C10 | C21 | 0.5° | 0.0° |
| C08 | C09 | C10 | H6 | 180.0° | 180.0° |
| C08 | C09 | C10 | S11 | 179.8° | 180.0° |
| C21 | C10 | C09 | S11 | 179.3° | 180.0° |
| C21 | C10 | S11 | O12 | 113.0° | 90.0° |
| C21 | C10 | S11 | O19 | 7.7° | 23.6° |
| C21 | C10 | S11 | O20 | 121.1° | 156.5° |
| C21 | C10 | C09 | H6 | 179.5° | 180.0° |
| C10 | C21 | C22 | H13 | 179.7° | 180.0° |
| C09 | C10 | S11 | O12 | 66.2° | 90.0° |
| C09 | C10 | S11 | O19 | 173.0° | 156.4° |
| C09 | C10 | S11 | O20 | 59.6° | 23.5° |
| C09 | C10 | C21 | H12 | 179.5° | 179.9° |
| C10 | S11 | O12 | O19 | 119.8° | 113.6° |
| C10 | S11 | O12 | O20 | 124.9° | 113.5° |
| C10 | S11 | O12 | C13 | 132.0° | 75.0° |
| C10 | S11 | O19 | O20 | 119.4° | 122.9° |
| S11 | C10 | C09 | H6 | 0.2° | 0.0° |
| S11 | C10 | C21 | H12 | 0.3° | 0.1° |
| O12 | S11 | O19 | O20 | 121.9° | 123.0° |
| S11 | O12 | C13 | C18 | 92.6° | 90.3° |
| S11 | O12 | C13 | C14 | 89.5° | 89.9° |
| C13 | O12 | S11 | O19 | 108.1° | 38.5° |
| C13 | O12 | S11 | O20 | 7.1° | 171.5° |
| O12 | C13 | C18 | C14 | 177.9° | 179.8° |
| O12 | C13 | C18 | C17 | 178.8° | 179.6° |
| O12 | C13 | C14 | C15 | 178.7° | 180.0° |
| O12 | C13 | C14 | H7 | 1.3° | 0.1° |
| O12 | C13 | C18 | H11 | 1.2° | 0.0° |
| C13 | C18 | C17 | H11 | 180.0° | 179.7° |
| C13 | C18 | C17 | C16 | 0.6° | 0.6° |
| C18 | C13 | C14 | C15 | 0.8° | 0.2° |
| C18 | C13 | C14 | H7 | 179.2° | 179.7° |
| C13 | C18 | C17 | H10 | 179.4° | 179.7° |
| C17 | C18 | C13 | C14 | 0.9° | 0.6° |
| C18 | C17 | C16 | H10 | 180.0° | 179.7° |
| C18 | C17 | C16 | C15 | 0.1° | 0.4° |
| C18 | C17 | C16 | H9 | 179.9° | 179.7° |
| C13 | C14 | C15 | H7 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.0° |
| C13 | C14 | C15 | H8 | 179.7° | 180.0° |
| C14 | C13 | C18 | H11 | 179.0° | 179.8° |
| C17 | C16 | C15 | C14 | 0.0° | 0.1° |
| C17 | C16 | C15 | H9 | 180.0° | 179.9° |
| C17 | C16 | C15 | H8 | 180.0° | 179.9° |
| C16 | C17 | C18 | H11 | 179.4° | 179.7° |
| C14 | C15 | C16 | H8 | 180.0° | 180.0° |
| C14 | C15 | C16 | H9 | 180.0° | 180.0° |
| C16 | C15 | C14 | H7 | 179.7° | 180.0° |
| C15 | C16 | C17 | H10 | 179.9° | 179.9° |
| H2 | C03 | C04 | H3 | 0.5° | 0.0° |
| H4 | C05 | C06 | H5 | 0.5° | 0.1° |
| H7 | C14 | C15 | H8 | 0.3° | 0.0° |
| H8 | C15 | C16 | H9 | 0.0° | 0.0° |
| H9 | C16 | C17 | H10 | 0.1° | 0.0° |
| H10 | C17 | C18 | H11 | 0.6° | 0.0° |
| H12 | C21 | C22 | H13 | 0.2° | 0.1° |
| H14 | C25 | C26 | H15 | 0.5° | 0.0° |
| H17 | C29 | C30 | H18 | 1.0° | 0.3° |
