7FO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O06 | S01 | doub | 1.42Å | 1.36Å | |
| C24 | C23 | doub | 1.38Å | 1.32Å | Aromatic |
| C24 | C19 | sing | 1.39Å | 1.31Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.32Å | Aromatic |
| O05 | S01 | doub | 1.42Å | 1.39Å | |
| S01 | O04 | sing | 1.52Å | 1.64Å | |
| S01 | C04 | sing | 1.81Å | 1.71Å | |
| O04 | C19 | sing | 1.36Å | 1.35Å | |
| C19 | C20 | doub | 1.39Å | 1.32Å | Aromatic |
| C22 | I01 | sing | 2.10Å | 2.12Å | |
| C22 | C21 | doub | 1.38Å | 1.33Å | Aromatic |
| C03 | C04 | sing | 1.55Å | 1.54Å | |
| C03 | C02 | sing | 1.56Å | 1.52Å | |
| C04 | C06 | sing | 1.56Å | 1.52Å | |
| C20 | C21 | sing | 1.38Å | 1.33Å | Aromatic |
| C02 | O01 | sing | 1.47Å | 1.36Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C06 | O01 | sing | 1.47Å | 1.36Å | |
| C06 | C05 | sing | 1.53Å | 1.50Å | |
| C09 | C10 | doub | 1.38Å | 1.32Å | Aromatic |
| C09 | C08 | sing | 1.40Å | 1.32Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.30Å | Aromatic |
| C01 | C05 | doub | 1.36Å | 1.36Å | |
| C01 | C08 | sing | 1.47Å | 1.34Å | |
| C05 | C07 | sing | 1.47Å | 1.34Å | |
| C08 | C13 | doub | 1.40Å | 1.32Å | Aromatic |
| C18 | C07 | doub | 1.40Å | 1.33Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.32Å | Aromatic |
| C07 | C14 | sing | 1.40Å | 1.33Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.32Å | Aromatic |
| C11 | O03 | sing | 1.36Å | 1.31Å | |
| C11 | C12 | doub | 1.39Å | 1.32Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.32Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.32Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.31Å | Aromatic |
| C16 | O02 | sing | 1.36Å | 1.32Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| O02 | H16 | sing | 0.97Å | 0.95Å | |
| O03 | H17 | sing | 0.97Å | 0.95Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O06 | S01 | O05 | 115.5° | 121.0° |
| O06 | S01 | O04 | 92.9° | 104.3° |
| O06 | S01 | C04 | 117.1° | 110.5° |
| C23 | C24 | C19 | 123.3° | 119.9° |
| C24 | C23 | C22 | 119.5° | 120.1° |
| C24 | C23 | H20 | 120.2° | 120.0° |
| C23 | C24 | H21 | 118.3° | 120.0° |
| C24 | C19 | O04 | 119.8° | 120.0° |
| C24 | C19 | C20 | 116.3° | 119.9° |
| C19 | C24 | H21 | 118.3° | 120.1° |
| C23 | C22 | I01 | 119.7° | 120.0° |
| C23 | C22 | C21 | 118.7° | 120.1° |
| C22 | C23 | H20 | 120.2° | 120.0° |
| O05 | S01 | O04 | 103.3° | 104.2° |
| O05 | S01 | C04 | 115.1° | 110.5° |
| O04 | S01 | C04 | 109.1° | 104.4° |
| S01 | O04 | C19 | 121.4° | 114.0° |
| S01 | C04 | C03 | 119.6° | 110.9° |
| S01 | C04 | C06 | 109.2° | 110.9° |
| S01 | C04 | H5 | 108.7° | 110.8° |
| O04 | C19 | C20 | 123.8° | 120.0° |
| C19 | C20 | C21 | 122.0° | 119.9° |
| C19 | C20 | H18 | 119.0° | 120.0° |
| I01 | C22 | C21 | 121.7° | 120.0° |
| C22 | C21 | C20 | 120.0° | 120.1° |
| C22 | C21 | H19 | 120.0° | 120.0° |
| C04 | C03 | C02 | 100.1° | 102.0° |
| C03 | C04 | C06 | 97.1° | 101.9° |
| C04 | C03 | H3 | 111.8° | 110.9° |
| C04 | C03 | H4 | 111.8° | 110.9° |
| C03 | C04 | H5 | 110.8° | 111.0° |
| C03 | C02 | O01 | 97.6° | 101.0° |
| C03 | C02 | C01 | 113.7° | 105.1° |
| C03 | C02 | H2 | 112.5° | 116.2° |
| C02 | C03 | H3 | 111.8° | 111.0° |
| C02 | C03 | H4 | 111.8° | 111.0° |
| C04 | C06 | O01 | 105.3° | 101.1° |
| C04 | C06 | C05 | 104.9° | 105.1° |
| C06 | C04 | H5 | 111.0° | 111.0° |
| C04 | C06 | H7 | 113.0° | 115.7° |
| C21 | C20 | H18 | 119.0° | 120.0° |
| C20 | C21 | H19 | 120.0° | 120.0° |
| O01 | C02 | C01 | 104.6° | 100.7° |
| C02 | O01 | C06 | 96.0° | 97.0° |
| O01 | C02 | H2 | 115.3° | 115.9° |
| C02 | C01 | C05 | 100.6° | 106.0° |
| C02 | C01 | C08 | 120.8° | 127.0° |
| C01 | C02 | H2 | 112.3° | 115.7° |
| O01 | C06 | C05 | 103.4° | 100.7° |
| O01 | C06 | H7 | 115.9° | 115.9° |
| C06 | C05 | C01 | 104.6° | 106.0° |
| C06 | C05 | C07 | 117.1° | 127.0° |
| C05 | C06 | H7 | 113.3° | 116.2° |
| C10 | C09 | C08 | 124.5° | 119.9° |
| C09 | C10 | C11 | 119.7° | 120.1° |
| C10 | C09 | H8 | 117.7° | 120.1° |
| C09 | C10 | H9 | 120.1° | 119.9° |
| C09 | C08 | C01 | 121.2° | 120.2° |
| C09 | C08 | C13 | 113.9° | 119.7° |
| C08 | C09 | H8 | 117.7° | 120.0° |
| C10 | C11 | O03 | 120.8° | 119.9° |
| C10 | C11 | C12 | 117.5° | 120.2° |
| C11 | C10 | H9 | 120.2° | 120.0° |
| C05 | C01 | C08 | 135.5° | 127.0° |
| C01 | C05 | C07 | 137.2° | 127.0° |
| C01 | C08 | C13 | 124.9° | 120.1° |
| C05 | C07 | C18 | 125.6° | 120.1° |
| C05 | C07 | C14 | 120.1° | 120.1° |
| C08 | C13 | C12 | 122.7° | 119.9° |
| C08 | C13 | H11 | 118.7° | 120.0° |
| C07 | C18 | C17 | 122.7° | 119.9° |
| C18 | C07 | C14 | 114.2° | 119.8° |
| C07 | C18 | H15 | 118.7° | 120.1° |
| C18 | C17 | C16 | 121.8° | 120.1° |
| C18 | C17 | H14 | 119.1° | 119.9° |
| C17 | C18 | H15 | 118.6° | 120.0° |
| C07 | C14 | C15 | 123.2° | 119.9° |
| C07 | C14 | H12 | 118.4° | 120.1° |
| C17 | C16 | C15 | 116.5° | 120.2° |
| C17 | C16 | O02 | 120.2° | 119.9° |
| C16 | C17 | H14 | 119.1° | 120.0° |
| O03 | C11 | C12 | 121.7° | 119.9° |
| C11 | O03 | H17 | 109.5° | 113.9° |
| C11 | C12 | C13 | 121.6° | 120.1° |
| C11 | C12 | H10 | 119.2° | 119.9° |
| C14 | C15 | C16 | 121.5° | 120.1° |
| C15 | C14 | H12 | 118.4° | 120.1° |
| C14 | C15 | H13 | 119.3° | 119.9° |
| C13 | C12 | H10 | 119.2° | 119.9° |
| C12 | C13 | H11 | 118.6° | 120.1° |
| C15 | C16 | O02 | 123.3° | 119.9° |
| C16 | C15 | H13 | 119.2° | 120.0° |
| C16 | O02 | H16 | 109.5° | 114.0° |
| H3 | C03 | H4 | 109.4° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | S01 | O05 | O04 | 99.8° | 116.8° |
| O06 | S01 | O05 | C04 | 141.4° | 131.5° |
| O06 | S01 | O04 | C04 | 120.0° | 116.1° |
| O06 | S01 | O04 | C19 | 111.3° | 41.5° |
| O06 | S01 | C04 | C03 | 86.8° | 170.4° |
| O06 | S01 | C04 | C06 | 162.8° | 77.1° |
| O06 | S01 | C04 | H5 | 41.6° | 46.6° |
| C23 | C24 | C19 | H21 | 180.0° | 180.0° |
| C24 | C23 | C22 | H20 | 180.0° | 179.9° |
| C23 | C24 | C19 | O04 | 178.8° | 179.7° |
| C23 | C24 | C19 | C20 | 1.5° | 0.0° |
| C24 | C23 | C22 | I01 | 179.9° | 180.0° |
| C24 | C23 | C22 | C21 | 0.2° | 0.0° |
| C19 | C24 | C23 | C22 | 0.3° | 0.0° |
| C24 | C19 | O04 | S01 | 56.2° | 89.6° |
| C24 | C19 | O04 | C20 | 177.1° | 179.7° |
| C24 | C19 | C20 | C21 | 2.1° | 0.0° |
| C24 | C19 | C20 | H18 | 177.9° | 180.0° |
| C19 | C24 | C23 | H20 | 179.6° | 179.9° |
| C23 | C22 | I01 | C21 | 179.9° | 180.0° |
| C23 | C22 | C21 | C20 | 0.4° | 0.0° |
| C23 | C22 | C21 | H19 | 179.6° | 179.9° |
| C22 | C23 | C24 | H21 | 179.6° | 180.0° |
| O05 | S01 | O04 | C04 | 122.9° | 116.0° |
| O05 | S01 | O04 | C19 | 5.8° | 169.4° |
| O05 | S01 | C04 | C03 | 53.9° | 52.9° |
| O05 | S01 | C04 | C06 | 56.4° | 59.7° |
| O05 | S01 | C04 | H5 | 177.6° | 176.6° |
| S01 | O04 | C19 | C20 | 120.9° | 90.7° |
| O04 | S01 | C04 | C03 | 169.4° | 58.7° |
| O04 | S01 | C04 | C06 | 59.1° | 171.2° |
| O04 | S01 | C04 | H5 | 62.1° | 65.0° |
| C04 | S01 | O04 | C19 | 128.7° | 74.6° |
| S01 | C04 | C03 | C06 | 116.8° | 118.1° |
| S01 | C04 | C03 | H5 | 127.5° | 123.7° |
| S01 | C04 | C03 | C02 | 130.4° | 118.2° |
| S01 | C04 | C06 | H5 | 119.8° | 123.6° |
| S01 | C04 | C06 | O01 | 99.9° | 83.4° |
| S01 | C04 | C06 | C05 | 151.3° | 172.2° |
| S01 | C04 | C03 | H3 | 11.9° | 123.7° |
| S01 | C04 | C03 | H4 | 111.2° | 0.1° |
| S01 | C04 | C06 | H7 | 27.4° | 42.6° |
| O04 | C19 | C20 | C21 | 179.3° | 179.7° |
| O04 | C19 | C20 | H18 | 0.7° | 0.3° |
| O04 | C19 | C24 | H21 | 1.2° | 0.3° |
| C19 | C20 | C21 | C22 | 1.6° | 0.0° |
| C19 | C20 | C21 | H18 | 180.0° | 180.0° |
| C19 | C20 | C21 | H19 | 178.4° | 180.0° |
| C20 | C19 | C24 | H21 | 178.5° | 179.9° |
| I01 | C22 | C21 | C20 | 179.5° | 180.0° |
| I01 | C22 | C21 | H19 | 0.5° | 0.0° |
| I01 | C22 | C23 | H20 | 0.1° | 0.1° |
| C22 | C21 | C20 | H19 | 180.0° | 180.0° |
| C22 | C21 | C20 | H18 | 178.4° | 180.0° |
| C21 | C22 | C23 | H20 | 179.8° | 180.0° |
| C04 | C03 | C02 | H3 | 118.5° | 118.1° |
| C04 | C03 | C02 | H4 | 118.5° | 118.2° |
| C03 | C04 | C06 | H5 | 115.5° | 118.2° |
| C04 | C03 | C02 | O01 | 48.3° | 34.8° |
| C04 | C03 | C02 | C01 | 61.3° | 69.6° |
| C03 | C04 | C06 | O01 | 24.8° | 34.8° |
| C03 | C04 | C06 | C05 | 84.0° | 69.6° |
| C04 | C03 | C02 | H2 | 169.7° | 161.1° |
| C04 | C03 | H3 | H4 | 124.4° | 123.7° |
| C03 | C04 | C06 | H7 | 152.2° | 160.8° |
| C02 | C03 | C04 | C06 | 13.5° | 0.0° |
| C03 | C02 | O01 | C01 | 117.0° | 107.9° |
| C03 | C02 | O01 | H2 | 119.3° | 126.5° |
| C03 | C02 | C01 | H2 | 129.1° | 129.6° |
| C03 | C02 | O01 | C06 | 64.7° | 57.4° |
| C03 | C02 | C01 | C05 | 73.1° | 72.5° |
| C03 | C02 | C01 | C08 | 90.0° | 107.7° |
| C02 | C03 | H3 | H4 | 124.4° | 123.8° |
| C02 | C03 | C04 | H5 | 102.1° | 118.2° |
| C04 | C06 | O01 | C02 | 57.6° | 57.4° |
| C04 | C06 | O01 | C05 | 109.8° | 107.9° |
| C04 | C06 | O01 | H7 | 125.6° | 125.8° |
| C04 | C06 | C05 | H7 | 123.6° | 129.3° |
| C04 | C06 | C05 | C01 | 76.6° | 72.5° |
| C04 | C06 | C05 | C07 | 93.4° | 107.7° |
| C06 | C04 | C03 | H3 | 104.9° | 118.2° |
| C06 | C04 | C03 | H4 | 132.0° | 118.2° |
| O01 | C02 | C01 | H2 | 125.6° | 125.8° |
| C02 | O01 | C06 | C05 | 52.2° | 50.5° |
| O01 | C02 | C01 | C05 | 32.2° | 32.1° |
| O01 | C02 | C01 | C08 | 164.7° | 147.6° |
| O01 | C02 | C03 | H3 | 70.2° | 152.9° |
| O01 | C02 | C03 | H4 | 166.7° | 83.4° |
| C02 | O01 | C06 | H7 | 176.8° | 176.8° |
| C01 | C02 | O01 | C06 | 52.3° | 50.5° |
| C02 | C01 | C05 | C06 | 0.8° | 0.0° |
| C02 | C01 | C08 | C09 | 19.6° | 65.5° |
| C02 | C01 | C05 | C08 | 159.1° | 179.8° |
| C02 | C01 | C05 | C07 | 167.6° | 179.7° |
| C02 | C01 | C08 | C13 | 158.4° | 114.7° |
| C01 | C02 | C03 | H3 | 179.8° | 48.5° |
| C01 | C02 | C03 | H4 | 57.1° | 172.2° |
| O01 | C06 | C05 | H7 | 126.3° | 126.1° |
| O01 | C06 | C05 | C01 | 33.5° | 32.1° |
| O01 | C06 | C05 | C07 | 156.5° | 147.6° |
| C06 | O01 | C02 | H2 | 176.0° | 176.1° |
| O01 | C06 | C04 | H5 | 140.3° | 153.0° |
| C06 | C05 | C01 | C07 | 166.8° | 179.7° |
| C06 | C05 | C01 | C08 | 158.3° | 179.8° |
| C06 | C05 | C07 | C18 | 114.5° | 64.4° |
| C06 | C05 | C07 | C14 | 63.8° | 115.2° |
| C05 | C06 | C04 | H5 | 31.5° | 48.6° |
| C10 | C09 | C08 | H8 | 180.0° | 180.0° |
| C09 | C10 | C11 | H9 | 180.0° | 180.0° |
| C10 | C09 | C08 | C01 | 178.8° | 180.0° |
| C10 | C09 | C08 | C13 | 0.6° | 0.2° |
| C09 | C10 | C11 | O03 | 179.9° | 179.9° |
| C09 | C10 | C11 | C12 | 0.6° | 0.0° |
| C08 | C09 | C10 | C11 | 0.7° | 0.0° |
| C09 | C08 | C01 | C05 | 136.4° | 114.7° |
| C09 | C08 | C01 | C13 | 178.0° | 179.7° |
| C09 | C08 | C13 | C12 | 2.0° | 0.5° |
| C08 | C09 | C10 | H9 | 179.3° | 180.0° |
| C09 | C08 | C13 | H11 | 178.0° | 179.8° |
| C10 | C11 | O03 | C12 | 179.3° | 179.9° |
| C10 | C11 | C12 | C13 | 0.7° | 0.3° |
| C11 | C10 | C09 | H8 | 179.3° | 180.0° |
| C10 | C11 | C12 | H10 | 179.2° | 179.9° |
| C10 | C11 | O03 | H17 | 180.0° | 90.0° |
| C05 | C01 | C08 | C13 | 45.7° | 65.0° |
| C01 | C05 | C07 | C18 | 51.1° | 115.3° |
| C01 | C05 | C07 | C14 | 130.6° | 65.1° |
| C05 | C01 | C02 | H2 | 157.8° | 157.9° |
| C01 | C05 | C06 | H7 | 159.8° | 158.2° |
| C08 | C01 | C05 | C07 | 8.5° | 0.0° |
| C01 | C08 | C13 | C12 | 179.9° | 179.8° |
| C08 | C01 | C02 | H2 | 39.1° | 21.8° |
| C01 | C08 | C09 | H8 | 1.2° | 0.0° |
| C01 | C08 | C13 | H11 | 0.1° | 0.0° |
| C05 | C07 | C18 | C14 | 178.4° | 179.6° |
| C05 | C07 | C18 | C17 | 178.9° | 179.7° |
| C05 | C07 | C14 | C15 | 179.1° | 180.0° |
| C07 | C05 | C06 | H7 | 30.3° | 21.5° |
| C05 | C07 | C14 | H12 | 1.0° | 0.1° |
| C05 | C07 | C18 | H15 | 1.1° | 0.1° |
| C08 | C13 | C12 | C11 | 2.1° | 0.5° |
| C08 | C13 | C12 | H11 | 180.0° | 179.7° |
| C13 | C08 | C09 | H8 | 179.4° | 179.7° |
| C08 | C13 | C12 | H10 | 177.8° | 179.7° |
| C07 | C18 | C17 | H15 | 180.0° | 179.6° |
| C07 | C18 | C17 | C16 | 0.2° | 0.6° |
| C18 | C07 | C14 | C15 | 0.5° | 0.4° |
| C18 | C07 | C14 | H12 | 179.5° | 179.7° |
| C07 | C18 | C17 | H14 | 179.8° | 179.7° |
| C17 | C18 | C07 | C14 | 0.5° | 0.7° |
| C18 | C17 | C16 | H14 | 180.0° | 179.7° |
| C18 | C17 | C16 | C15 | 0.9° | 0.3° |
| C18 | C17 | C16 | O02 | 180.0° | 179.7° |
| C07 | C14 | C15 | H12 | 180.0° | 179.9° |
| C07 | C14 | C15 | C16 | 0.1° | 0.0° |
| C07 | C14 | C15 | H13 | 179.8° | 180.0° |
| C14 | C07 | C18 | H15 | 179.5° | 179.7° |
| C17 | C16 | C15 | C14 | 0.9° | 0.0° |
| C17 | C16 | C15 | O02 | 179.1° | 180.0° |
| C17 | C16 | C15 | H13 | 179.1° | 180.0° |
| C16 | C17 | C18 | H15 | 179.8° | 179.7° |
| C17 | C16 | O02 | H16 | 180.0° | 90.0° |
| O03 | C11 | C12 | C13 | 178.6° | 179.8° |
| O03 | C11 | C10 | H9 | 0.1° | 0.1° |
| O03 | C11 | C12 | H10 | 1.5° | 0.0° |
| C11 | C12 | C13 | H10 | 180.0° | 179.8° |
| C12 | C11 | C10 | H9 | 179.4° | 180.0° |
| C11 | C12 | C13 | H11 | 177.9° | 179.7° |
| C12 | C11 | O03 | H17 | 0.7° | 90.1° |
| C14 | C15 | C16 | H13 | 180.0° | 180.0° |
| C14 | C15 | C16 | O02 | 180.0° | 180.0° |
| C16 | C15 | C14 | H12 | 179.8° | 179.9° |
| C15 | C16 | C17 | H14 | 179.1° | 180.0° |
| C15 | C16 | O02 | H16 | 1.0° | 90.0° |
| O02 | C16 | C15 | H13 | 0.0° | 0.0° |
| O02 | C16 | C17 | H14 | 0.0° | 0.0° |
| H2 | C02 | C03 | H3 | 51.2° | 80.7° |
| H2 | C02 | C03 | H4 | 71.9° | 42.9° |
| H3 | C03 | C04 | H5 | 139.4° | 0.0° |
| H4 | C03 | C04 | H5 | 16.3° | 123.6° |
| H5 | C04 | C06 | H7 | 92.3° | 81.0° |
| H8 | C09 | C10 | H9 | 0.7° | 0.0° |
| H10 | C12 | C13 | H11 | 2.2° | 0.1° |
| H12 | C14 | C15 | H13 | 0.2° | 0.0° |
| H14 | C17 | C18 | H15 | 0.2° | 0.0° |
| H18 | C20 | C21 | H19 | 1.6° | 0.0° |
| H20 | C23 | C24 | H21 | 0.4° | 0.1° |






