7M7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O29 | C28 | sing | 1.36Å | 1.41Å | |
| C28 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.48Å | 1.52Å | |
| O01 | C02 | sing | 1.36Å | 1.40Å | |
| C03 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| BR1 | C16 | sing | 1.89Å | 1.91Å | |
| C24 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C08 | sing | 1.40Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.48Å | 1.51Å | |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | S11 | sing | 1.76Å | 1.77Å | |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | O12 | sing | 1.36Å | 1.41Å | |
| O12 | S11 | sing | 1.52Å | 1.51Å | |
| S11 | O21 | doub | 1.42Å | 1.50Å | |
| S11 | O20 | doub | 1.42Å | 1.51Å | |
| 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 | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| O29 | H15 | sing | 0.97Å | 0.95Å | |
| C30 | H16 | sing | 1.08Å | 1.08Å | |
| C31 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O29 | C28 | C30 | 120.5° | 119.9° |
| O29 | C28 | C27 | 119.4° | 119.9° |
| C28 | O29 | H15 | 109.5° | 114.0° |
| C30 | C28 | C27 | 120.1° | 120.1° |
| C28 | C30 | C31 | 120.1° | 120.1° |
| C28 | C30 | H16 | 119.9° | 120.0° |
| C28 | C27 | C26 | 119.6° | 120.1° |
| C28 | C27 | H14 | 120.2° | 120.0° |
| C30 | C31 | C25 | 119.7° | 119.9° |
| C31 | C30 | H16 | 120.0° | 120.0° |
| C30 | C31 | H17 | 120.1° | 120.0° |
| C27 | C26 | C25 | 120.7° | 120.0° |
| C27 | C26 | H13 | 119.6° | 120.0° |
| C26 | C27 | H14 | 120.2° | 120.0° |
| C31 | C25 | C26 | 119.6° | 119.9° |
| C31 | C25 | C24 | 123.4° | 120.1° |
| C25 | C31 | H17 | 120.1° | 120.1° |
| C26 | C25 | C24 | 117.0° | 120.1° |
| C25 | C26 | H13 | 119.6° | 120.0° |
| C25 | C24 | C23 | 116.0° | 120.2° |
| C25 | C24 | C08 | 125.1° | 120.2° |
| O01 | C02 | C03 | 119.6° | 119.9° |
| O01 | C02 | C05 | 119.9° | 119.9° |
| C02 | O01 | H1 | 109.5° | 114.0° |
| C02 | C03 | C04 | 119.5° | 120.1° |
| C03 | C02 | C05 | 120.4° | 120.2° |
| C02 | C03 | H2 | 120.3° | 120.0° |
| C03 | C04 | C07 | 120.1° | 119.9° |
| C04 | C03 | H2 | 120.3° | 120.0° |
| C03 | C04 | H3 | 120.0° | 120.1° |
| C02 | C05 | C06 | 120.1° | 120.0° |
| C02 | C05 | H4 | 119.9° | 120.0° |
| C04 | C07 | C06 | 120.6° | 119.9° |
| C04 | C07 | C08 | 118.8° | 120.1° |
| C07 | C04 | H3 | 119.9° | 120.0° |
| BR1 | C16 | C18 | 120.0° | 119.9° |
| BR1 | C16 | C15 | 119.5° | 120.0° |
| C23 | C24 | C08 | 119.0° | 119.6° |
| C24 | C23 | C22 | 121.0° | 120.0° |
| C24 | C23 | H12 | 119.5° | 120.0° |
| C24 | C08 | C07 | 125.3° | 120.2° |
| C24 | C08 | C09 | 119.8° | 119.6° |
| C05 | C06 | C07 | 119.3° | 119.9° |
| C06 | C05 | H4 | 119.9° | 120.0° |
| C05 | C06 | H5 | 120.3° | 120.0° |
| C06 | C07 | C08 | 120.6° | 120.0° |
| C07 | C06 | H5 | 120.3° | 120.1° |
| C07 | C08 | C09 | 114.9° | 120.2° |
| C23 | C22 | C10 | 119.5° | 120.4° |
| C23 | C22 | H11 | 120.3° | 119.8° |
| C22 | C23 | H12 | 119.5° | 120.0° |
| C08 | C09 | C10 | 120.7° | 120.0° |
| C08 | C09 | H6 | 119.6° | 120.0° |
| C18 | C16 | C15 | 120.5° | 120.1° |
| C16 | C18 | C19 | 119.9° | 120.0° |
| C16 | C18 | H9 | 120.0° | 120.0° |
| C16 | C15 | C14 | 119.6° | 120.1° |
| C16 | C15 | H8 | 120.2° | 120.0° |
| C18 | C19 | C13 | 119.7° | 119.9° |
| C19 | C18 | H9 | 120.1° | 120.0° |
| C18 | C19 | H10 | 120.1° | 120.0° |
| C22 | C10 | C09 | 120.0° | 120.3° |
| C22 | C10 | S11 | 120.8° | 119.8° |
| C10 | C22 | H11 | 120.2° | 119.8° |
| C09 | C10 | S11 | 119.2° | 119.8° |
| C10 | C09 | H6 | 119.6° | 120.0° |
| C15 | C14 | C13 | 120.1° | 120.0° |
| C15 | C14 | H7 | 120.0° | 120.0° |
| C14 | C15 | H8 | 120.2° | 120.0° |
| C19 | C13 | C14 | 120.2° | 119.9° |
| C19 | C13 | O12 | 119.3° | 120.0° |
| C13 | C19 | H10 | 120.1° | 120.1° |
| C10 | S11 | O12 | 112.5° | 107.3° |
| C10 | S11 | O21 | 109.9° | 106.4° |
| C10 | S11 | O20 | 110.3° | 106.4° |
| C14 | C13 | O12 | 120.5° | 120.0° |
| C13 | C14 | H7 | 119.9° | 120.0° |
| C13 | O12 | S11 | 117.9° | 114.0° |
| O12 | S11 | O21 | 112.7° | 106.4° |
| O12 | S11 | O20 | 110.0° | 106.4° |
| O21 | S11 | O20 | 100.8° | 123.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O29 | C28 | C30 | C27 | 180.0° | 179.7° |
| O29 | C28 | C30 | C31 | 179.8° | 180.0° |
| O29 | C28 | C27 | C26 | 180.0° | 179.7° |
| O29 | C28 | C27 | H14 | 0.0° | 0.3° |
| O29 | C28 | C30 | H16 | 0.1° | 0.3° |
| C28 | C30 | C31 | H16 | 180.0° | 179.7° |
| C30 | C28 | C27 | C26 | 0.0° | 0.1° |
| C28 | C30 | C31 | C25 | 0.5° | 0.6° |
| C30 | C28 | C27 | H14 | 180.0° | 180.0° |
| C30 | C28 | O29 | H15 | 180.0° | 90.0° |
| C28 | C30 | C31 | H17 | 179.4° | 180.0° |
| C27 | C28 | C30 | C31 | 0.2° | 0.3° |
| C28 | C27 | C26 | H14 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.2° | 0.1° |
| C28 | C27 | C26 | H13 | 179.9° | 180.0° |
| C27 | C28 | O29 | H15 | 0.1° | 89.7° |
| C27 | C28 | C30 | H16 | 179.8° | 180.0° |
| C30 | C31 | C25 | H17 | 180.0° | 179.4° |
| C30 | C31 | C25 | C26 | 0.7° | 0.6° |
| C30 | C31 | C25 | C24 | 179.7° | 179.7° |
| C27 | C26 | C25 | C31 | 0.5° | 0.3° |
| C27 | C26 | C25 | H13 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 179.6° | 180.0° |
| C31 | C25 | C26 | C24 | 179.1° | 179.7° |
| C31 | C25 | C24 | C23 | 141.1° | 129.7° |
| C31 | C25 | C24 | C08 | 39.9° | 50.8° |
| C31 | C25 | C26 | H13 | 179.5° | 179.7° |
| C25 | C31 | C30 | H16 | 179.5° | 179.7° |
| C26 | C25 | C24 | C23 | 38.0° | 50.0° |
| C26 | C25 | C24 | C08 | 141.1° | 129.5° |
| C25 | C26 | C27 | H14 | 179.8° | 180.0° |
| C26 | C25 | C31 | H17 | 179.3° | 180.0° |
| C25 | C24 | C23 | C08 | 179.1° | 179.5° |
| C25 | C24 | C08 | C07 | 0.9° | 0.3° |
| C25 | C24 | C23 | C22 | 179.6° | 180.0° |
| C25 | C24 | C08 | C09 | 179.5° | 180.0° |
| C25 | C24 | C23 | H12 | 0.4° | 0.2° |
| C24 | C25 | C26 | H13 | 0.4° | 0.0° |
| C24 | C25 | C31 | H17 | 0.3° | 0.3° |
| 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° | 0.1° |
| O01 | C02 | C05 | H4 | 0.2° | 0.1° |
| C02 | C03 | C04 | H2 | 180.0° | 179.9° |
| C02 | C03 | C04 | C07 | 0.5° | 0.0° |
| C03 | C02 | C05 | C06 | 0.2° | 0.3° |
| C03 | C02 | O01 | H1 | 180.0° | 89.7° |
| C02 | C03 | C04 | H3 | 179.5° | 179.9° |
| C03 | C02 | C05 | H4 | 179.8° | 179.8° |
| C04 | C03 | C02 | C05 | 0.1° | 0.3° |
| C03 | C04 | C07 | H3 | 180.0° | 180.0° |
| C03 | C04 | C07 | C06 | 0.9° | 0.2° |
| C03 | C04 | C07 | C08 | 179.2° | 180.0° |
| C02 | C05 | C06 | H4 | 180.0° | 179.9° |
| C02 | C05 | C06 | C07 | 0.3° | 0.0° |
| C05 | C02 | O01 | H1 | 0.1° | 90.0° |
| C05 | C02 | C03 | H2 | 179.9° | 179.8° |
| C02 | C05 | C06 | H5 | 179.7° | 180.0° |
| C04 | C07 | C08 | C24 | 107.1° | 129.7° |
| C04 | C07 | C06 | C05 | 0.8° | 0.2° |
| C04 | C07 | C06 | C08 | 178.2° | 179.8° |
| C04 | C07 | C08 | C09 | 72.6° | 50.0° |
| C07 | C04 | C03 | H2 | 179.5° | 180.0° |
| C04 | C07 | C06 | H5 | 179.2° | 179.7° |
| BR1 | C16 | C18 | C15 | 180.0° | 179.8° |
| BR1 | C16 | C18 | C19 | 180.0° | 180.0° |
| BR1 | C16 | C15 | C14 | 179.9° | 179.7° |
| BR1 | C16 | C15 | H8 | 0.1° | 0.2° |
| BR1 | C16 | C18 | H9 | 0.0° | 0.2° |
| C23 | C24 | C08 | C07 | 179.9° | 179.8° |
| C24 | C23 | C22 | H12 | 180.0° | 179.8° |
| C23 | C24 | C08 | C09 | 0.4° | 0.5° |
| C24 | C23 | C22 | C10 | 0.0° | 0.3° |
| C24 | C23 | C22 | H11 | 180.0° | 179.8° |
| C24 | C08 | C07 | C06 | 74.6° | 50.1° |
| C24 | C08 | C07 | C09 | 179.7° | 179.7° |
| C08 | C24 | C23 | C22 | 0.5° | 0.5° |
| C24 | C08 | C09 | C10 | 0.0° | 0.3° |
| C24 | C08 | C09 | H6 | 180.0° | 179.8° |
| C08 | C24 | C23 | H12 | 179.6° | 179.7° |
| C05 | C06 | C07 | H5 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 179.1° | 180.0° |
| C06 | C07 | C08 | C09 | 105.7° | 130.3° |
| C06 | C07 | C04 | H3 | 179.1° | 179.8° |
| C07 | C06 | C05 | H4 | 179.7° | 180.0° |
| C07 | C08 | C09 | C10 | 179.7° | 180.0° |
| C08 | C07 | C04 | H3 | 0.8° | 0.0° |
| C08 | C07 | C06 | H5 | 0.9° | 0.1° |
| C07 | C08 | C09 | H6 | 0.3° | 0.1° |
| C23 | C22 | C10 | H11 | 180.0° | 179.9° |
| C23 | C22 | C10 | C09 | 0.4° | 0.1° |
| C23 | C22 | C10 | S11 | 179.6° | 180.0° |
| C08 | C09 | C10 | C22 | 0.5° | 0.1° |
| C08 | C09 | C10 | H6 | 180.0° | 179.9° |
| C08 | C09 | C10 | S11 | 179.6° | 180.0° |
| C16 | C18 | C19 | H9 | 180.0° | 179.7° |
| C18 | C16 | C15 | C14 | 0.1° | 0.0° |
| C16 | C18 | C19 | C13 | 0.2° | 0.5° |
| C18 | C16 | C15 | H8 | 179.9° | 180.0° |
| C16 | C18 | C19 | H10 | 179.8° | 180.0° |
| C15 | C16 | C18 | C19 | 0.0° | 0.2° |
| C16 | C15 | C14 | H8 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.4° | 0.0° |
| C16 | C15 | C14 | H7 | 179.6° | 180.0° |
| C15 | C16 | C18 | H9 | 180.0° | 180.0° |
| C18 | C19 | C13 | H10 | 180.0° | 179.5° |
| C18 | C19 | C13 | C14 | 0.5° | 0.6° |
| C18 | C19 | C13 | O12 | 179.6° | 179.8° |
| C22 | C10 | C09 | S11 | 179.2° | 179.9° |
| C22 | C10 | S11 | O12 | 110.1° | 89.9° |
| C22 | C10 | S11 | O21 | 16.4° | 156.5° |
| C22 | C10 | S11 | O20 | 126.6° | 23.6° |
| C22 | C10 | C09 | H6 | 179.6° | 180.0° |
| C10 | C22 | C23 | H12 | 180.0° | 180.0° |
| C09 | C10 | S11 | O12 | 70.7° | 90.0° |
| C09 | C10 | S11 | O21 | 162.8° | 23.6° |
| C09 | C10 | S11 | O20 | 52.5° | 156.5° |
| C09 | C10 | C22 | H11 | 179.6° | 180.0° |
| C15 | C14 | C13 | C19 | 0.6° | 0.3° |
| C15 | C14 | C13 | H7 | 180.0° | 180.0° |
| C15 | C14 | C13 | O12 | 179.7° | 180.0° |
| C19 | C13 | C14 | O12 | 179.1° | 179.7° |
| C19 | C13 | O12 | S11 | 132.9° | 90.3° |
| C19 | C13 | C14 | H7 | 179.4° | 179.7° |
| C13 | C19 | C18 | H9 | 179.8° | 179.7° |
| C10 | S11 | O12 | C13 | 56.4° | 75.0° |
| C10 | S11 | O12 | O21 | 125.0° | 113.5° |
| C10 | S11 | O12 | O20 | 123.4° | 113.6° |
| C10 | S11 | O21 | O20 | 116.4° | 122.9° |
| S11 | C10 | C09 | H6 | 0.4° | 0.1° |
| S11 | C10 | C22 | H11 | 0.4° | 0.1° |
| C14 | C13 | O12 | S11 | 47.9° | 90.0° |
| C13 | C14 | C15 | H8 | 179.6° | 179.9° |
| C14 | C13 | C19 | H10 | 179.5° | 180.0° |
| C13 | O12 | S11 | O21 | 68.6° | 171.5° |
| C13 | O12 | S11 | O20 | 179.8° | 38.6° |
| O12 | C13 | C14 | H7 | 0.3° | 0.0° |
| O12 | C13 | C19 | H10 | 0.4° | 0.3° |
| O12 | S11 | O21 | O20 | 117.2° | 123.0° |
| H2 | C03 | C04 | H3 | 0.5° | 0.0° |
| H4 | C05 | C06 | H5 | 0.3° | 0.1° |
| H7 | C14 | C15 | H8 | 0.4° | 0.1° |
| H9 | C18 | C19 | H10 | 0.2° | 0.3° |
| H11 | C22 | C23 | H12 | 0.0° | 0.0° |
| H13 | C26 | C27 | H14 | 0.2° | 0.0° |
| H16 | C30 | C31 | H17 | 0.5° | 0.3° |
