F8S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O27 | C25 | doub | 1.22Å | 1.25Å | |
| N01 | C02 | sing | 1.38Å | 1.38Å | |
| C25 | O26 | sing | 1.35Å | 1.25Å | |
| C25 | C24 | sing | 1.47Å | 1.56Å | |
| C02 | C24 | doub | 1.41Å | 1.43Å | Aromatic |
| C02 | N03 | sing | 1.32Å | 1.42Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.38Å | Aromatic |
| N03 | C04 | doub | 1.33Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.43Å | Aromatic |
| C04 | C22 | sing | 1.41Å | 1.38Å | Aromatic |
| C04 | O05 | sing | 1.35Å | 1.42Å | |
| C22 | C20 | sing | 1.48Å | 1.47Å | |
| O05 | C06 | sing | 1.35Å | 1.40Å | |
| C20 | O21 | doub | 1.22Å | 1.20Å | |
| C20 | C19 | sing | 1.48Å | 1.50Å | |
| C06 | C19 | doub | 1.40Å | 1.38Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.43Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C10 | sing | 1.51Å | 1.55Å | |
| C10 | C17 | sing | 1.53Å | 1.55Å | |
| C10 | C11 | sing | 1.53Å | 1.58Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C16 | S13 | sing | 1.82Å | 1.70Å | |
| C12 | S13 | sing | 1.82Å | 1.71Å | |
| O15 | S13 | doub | 1.42Å | 1.42Å | |
| S13 | O14 | doub | 1.42Å | 1.42Å | |
| C07 | H1 | sing | 1.08Å | 1.08Å | |
| C08 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| N01 | H12 | sing | 0.97Å | 1.00Å | |
| N01 | H13 | sing | 0.97Å | 1.00Å | |
| O26 | H14 | sing | 0.97Å | 0.95Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O27 | C25 | O26 | 125.3° | 120.0° |
| O27 | C25 | C24 | 116.8° | 120.0° |
| N01 | C02 | C24 | 119.6° | 119.4° |
| N01 | C02 | N03 | 118.7° | 119.4° |
| C02 | N01 | H12 | 109.5° | 119.9° |
| C02 | N01 | H13 | 109.5° | 120.0° |
| O26 | C25 | C24 | 117.9° | 120.0° |
| C25 | O26 | H14 | 109.5° | 117.0° |
| C25 | C24 | C02 | 119.6° | 120.6° |
| C25 | C24 | C23 | 123.1° | 120.6° |
| C24 | C02 | N03 | 121.7° | 121.2° |
| C02 | C24 | C23 | 117.3° | 118.7° |
| C02 | N03 | C04 | 117.6° | 122.0° |
| C24 | C23 | C22 | 122.5° | 117.9° |
| C24 | C23 | H11 | 118.8° | 121.0° |
| N03 | C04 | C22 | 123.4° | 119.7° |
| N03 | C04 | O05 | 116.6° | 119.5° |
| C23 | C22 | C04 | 117.5° | 120.4° |
| C23 | C22 | C20 | 122.5° | 121.1° |
| C22 | C23 | H11 | 118.7° | 121.1° |
| C22 | C04 | O05 | 120.1° | 120.8° |
| C04 | C22 | C20 | 120.0° | 118.6° |
| C04 | O05 | C06 | 120.9° | 122.1° |
| C22 | C20 | O21 | 121.7° | 122.1° |
| C22 | C20 | C19 | 118.4° | 115.8° |
| O05 | C06 | C19 | 123.2° | 121.2° |
| O05 | C06 | C07 | 120.0° | 120.0° |
| O21 | C20 | C19 | 120.0° | 122.1° |
| C20 | C19 | C06 | 117.4° | 118.3° |
| C20 | C19 | C18 | 121.5° | 121.1° |
| C19 | C06 | C07 | 116.9° | 118.8° |
| C06 | C19 | C18 | 121.1° | 120.6° |
| C06 | C07 | C08 | 121.0° | 120.2° |
| C06 | C07 | H1 | 119.5° | 119.9° |
| C19 | C18 | C09 | 123.2° | 119.6° |
| C19 | C18 | H10 | 118.4° | 120.2° |
| C07 | C08 | C09 | 123.0° | 120.8° |
| C08 | C07 | H1 | 119.5° | 119.9° |
| C07 | C08 | H2 | 118.5° | 119.6° |
| C08 | C09 | C18 | 114.8° | 120.1° |
| C08 | C09 | C10 | 122.4° | 119.9° |
| C09 | C08 | H2 | 118.5° | 119.7° |
| C18 | C09 | C10 | 122.8° | 120.0° |
| C09 | C18 | H10 | 118.4° | 120.2° |
| C09 | C10 | C17 | 110.0° | 109.2° |
| C09 | C10 | C11 | 113.2° | 109.2° |
| C09 | C10 | H3 | 105.9° | 109.2° |
| C17 | C10 | C11 | 115.5° | 110.7° |
| C10 | C17 | C16 | 111.9° | 110.0° |
| C17 | C10 | H3 | 105.9° | 109.3° |
| C10 | C17 | H8 | 108.9° | 109.4° |
| C10 | C17 | H9 | 108.9° | 109.4° |
| C10 | C11 | C12 | 115.4° | 109.9° |
| C11 | C10 | H3 | 105.5° | 109.3° |
| C10 | C11 | H4 | 108.0° | 109.4° |
| C10 | C11 | H15 | 108.0° | 109.4° |
| C17 | C16 | S13 | 116.9° | 109.0° |
| C17 | C16 | H6 | 107.6° | 109.6° |
| C17 | C16 | H7 | 107.6° | 109.6° |
| C16 | C17 | H8 | 108.8° | 109.3° |
| C16 | C17 | H9 | 108.9° | 109.4° |
| C11 | C12 | S13 | 115.4° | 109.0° |
| C12 | C11 | H4 | 108.0° | 109.3° |
| C11 | C12 | H5 | 108.0° | 109.6° |
| C12 | C11 | H15 | 108.0° | 109.4° |
| C11 | C12 | H16 | 108.0° | 109.5° |
| C16 | S13 | C12 | 101.4° | 101.3° |
| C16 | S13 | O15 | 111.0° | 108.6° |
| C16 | S13 | O14 | 106.9° | 108.6° |
| S13 | C16 | H6 | 107.6° | 109.6° |
| S13 | C16 | H7 | 107.6° | 109.5° |
| C12 | S13 | O15 | 111.6° | 108.7° |
| C12 | S13 | O14 | 108.3° | 108.7° |
| S13 | C12 | H5 | 107.9° | 109.6° |
| S13 | C12 | H16 | 108.0° | 109.5° |
| O15 | S13 | O14 | 116.5° | 119.4° |
| H4 | C11 | H15 | 109.5° | 109.4° |
| H5 | C12 | H16 | 109.5° | 109.6° |
| H6 | C16 | H7 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.3° |
| H12 | N01 | H13 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O27 | C25 | O26 | C24 | 179.7° | 179.9° |
| O27 | C25 | C24 | C02 | 4.2° | 5.9° |
| O27 | C25 | C24 | C23 | 176.2° | 174.1° |
| O27 | C25 | O26 | H14 | 0.0° | 0.0° |
| N01 | C02 | C24 | C25 | 0.2° | 0.0° |
| N01 | C02 | C24 | N03 | 179.8° | 179.7° |
| N01 | C02 | C24 | C23 | 179.9° | 180.0° |
| N01 | C02 | N03 | C04 | 180.0° | 179.8° |
| C02 | N01 | H12 | H13 | 120.0° | 180.0° |
| O26 | C25 | C24 | C02 | 175.6° | 174.1° |
| O26 | C25 | C24 | C23 | 4.1° | 6.0° |
| C25 | C24 | C02 | C23 | 179.7° | 180.0° |
| C25 | C24 | C02 | N03 | 179.9° | 179.7° |
| C25 | C24 | C23 | C22 | 179.8° | 179.9° |
| C25 | C24 | C23 | H11 | 0.2° | 0.1° |
| C24 | C25 | O26 | H14 | 179.7° | 180.0° |
| C24 | C02 | N03 | C04 | 0.2° | 0.0° |
| C02 | C24 | C23 | C22 | 0.1° | 0.1° |
| C02 | C24 | C23 | H11 | 179.9° | 179.9° |
| C24 | C02 | N01 | H12 | 179.9° | 5.6° |
| C24 | C02 | N01 | H13 | 60.2° | 174.4° |
| N03 | C02 | C24 | C23 | 0.3° | 0.3° |
| C02 | N03 | C04 | C22 | 0.1° | 0.4° |
| C02 | N03 | C04 | O05 | 179.9° | 179.4° |
| N03 | C02 | N01 | H12 | 0.0° | 174.6° |
| N03 | C02 | N01 | H13 | 120.0° | 5.4° |
| C24 | C23 | C22 | H11 | 180.0° | 180.0° |
| C24 | C23 | C22 | C04 | 0.1° | 0.3° |
| C24 | C23 | C22 | C20 | 179.7° | 179.4° |
| N03 | C04 | C22 | C23 | 0.2° | 0.6° |
| N03 | C04 | C22 | O05 | 179.9° | 179.8° |
| N03 | C04 | C22 | C20 | 179.8° | 179.1° |
| N03 | C04 | O05 | C06 | 177.1° | 164.0° |
| C23 | C22 | C04 | C20 | 179.6° | 179.7° |
| C23 | C22 | C04 | O05 | 179.9° | 179.3° |
| C23 | C22 | C20 | O21 | 2.5° | 13.0° |
| C23 | C22 | C20 | C19 | 177.1° | 167.0° |
| C22 | C04 | O05 | C06 | 3.0° | 16.2° |
| C04 | C22 | C20 | O21 | 177.9° | 167.3° |
| C04 | C22 | C20 | C19 | 2.4° | 12.6° |
| C04 | C22 | C23 | H11 | 179.9° | 179.7° |
| O05 | C04 | C22 | C20 | 0.3° | 1.1° |
| C04 | O05 | C06 | C19 | 2.9° | 16.3° |
| C04 | O05 | C06 | C07 | 177.4° | 164.0° |
| C22 | C20 | O21 | C19 | 179.6° | 179.9° |
| C22 | C20 | C19 | C06 | 2.6° | 12.6° |
| C22 | C20 | C19 | C18 | 177.5° | 167.1° |
| C20 | C22 | C23 | H11 | 0.3° | 0.7° |
| O05 | C06 | C19 | C20 | 0.0° | 1.2° |
| O05 | C06 | C19 | C07 | 179.7° | 179.7° |
| O05 | C06 | C19 | C18 | 179.9° | 179.2° |
| O05 | C06 | C07 | C08 | 179.8° | 179.4° |
| O05 | C06 | C07 | H1 | 0.2° | 0.6° |
| O21 | C20 | C19 | C06 | 177.7° | 167.4° |
| O21 | C20 | C19 | C18 | 2.1° | 13.0° |
| C20 | C19 | C06 | C18 | 179.9° | 179.6° |
| C20 | C19 | C06 | C07 | 179.7° | 179.1° |
| C20 | C19 | C18 | C09 | 180.0° | 179.2° |
| C20 | C19 | C18 | H10 | 0.0° | 0.7° |
| C19 | C06 | C07 | C08 | 0.4° | 0.3° |
| C06 | C19 | C18 | C09 | 0.1° | 0.4° |
| C19 | C06 | C07 | H1 | 179.6° | 179.7° |
| C06 | C19 | C18 | H10 | 179.9° | 179.7° |
| C07 | C06 | C19 | C18 | 0.2° | 0.5° |
| C06 | C07 | C08 | H1 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.5° | 0.1° |
| C06 | C07 | C08 | H2 | 179.5° | 180.0° |
| C19 | C18 | C09 | C08 | 0.1° | 0.1° |
| C19 | C18 | C09 | H10 | 180.0° | 179.9° |
| C19 | C18 | C09 | C10 | 179.9° | 179.9° |
| C07 | C08 | C09 | H2 | 180.0° | 179.9° |
| C07 | C08 | C09 | C18 | 0.2° | 0.1° |
| C07 | C08 | C09 | C10 | 179.8° | 179.9° |
| C08 | C09 | C18 | C10 | 180.0° | 180.0° |
| C08 | C09 | C10 | C17 | 163.1° | 60.0° |
| C08 | C09 | C10 | C11 | 32.2° | 61.1° |
| C09 | C08 | C07 | H1 | 179.6° | 180.0° |
| C08 | C09 | C10 | H3 | 82.9° | 179.4° |
| C08 | C09 | C18 | H10 | 179.9° | 179.9° |
| C18 | C09 | C10 | C17 | 16.9° | 120.0° |
| C18 | C09 | C10 | C11 | 147.7° | 118.9° |
| C18 | C09 | C08 | H2 | 179.8° | 179.9° |
| C18 | C09 | C10 | H3 | 97.1° | 0.5° |
| C09 | C10 | C17 | C11 | 129.6° | 120.2° |
| C09 | C10 | C17 | H3 | 114.0° | 119.4° |
| C09 | C10 | C11 | H3 | 115.3° | 119.4° |
| C09 | C10 | C17 | C16 | 163.3° | 169.7° |
| C09 | C10 | C11 | C12 | 179.1° | 169.7° |
| C10 | C09 | C08 | H2 | 0.2° | 0.2° |
| C09 | C10 | C11 | H4 | 58.2° | 49.7° |
| C09 | C10 | C17 | H8 | 43.0° | 70.2° |
| C09 | C10 | C17 | H9 | 76.3° | 49.6° |
| C10 | C09 | C18 | H10 | 0.1° | 0.0° |
| C09 | C10 | C11 | H15 | 60.0° | 70.1° |
| C17 | C10 | C11 | H3 | 116.6° | 120.4° |
| C10 | C17 | C16 | H8 | 120.3° | 120.1° |
| C10 | C17 | C16 | H9 | 120.4° | 120.2° |
| C17 | C10 | C11 | C12 | 52.8° | 70.0° |
| C10 | C17 | C16 | S13 | 25.2° | 63.6° |
| C17 | C10 | C11 | H4 | 173.7° | 169.9° |
| C10 | C17 | C16 | H6 | 95.9° | 176.5° |
| C10 | C17 | C16 | H7 | 146.3° | 56.3° |
| C10 | C17 | H8 | H9 | 118.9° | 119.8° |
| C17 | C10 | C11 | H15 | 68.0° | 50.1° |
| C11 | C10 | C17 | C16 | 33.7° | 70.0° |
| C10 | C11 | C12 | H4 | 120.9° | 120.1° |
| C10 | C11 | C12 | H15 | 120.9° | 120.1° |
| C10 | C11 | C12 | S13 | 8.7° | 63.7° |
| C10 | C11 | H4 | H15 | 117.3° | 119.8° |
| C10 | C11 | C12 | H5 | 112.2° | 56.2° |
| C11 | C10 | C17 | H8 | 86.6° | 50.1° |
| C11 | C10 | C17 | H9 | 154.1° | 169.8° |
| C10 | C11 | C12 | H16 | 129.6° | 176.5° |
| C17 | C16 | S13 | H6 | 121.1° | 119.9° |
| C17 | C16 | S13 | H7 | 121.1° | 119.9° |
| C17 | C16 | S13 | C12 | 61.8° | 54.3° |
| C17 | C16 | S13 | O15 | 56.8° | 168.6° |
| C17 | C16 | S13 | O14 | 175.1° | 60.1° |
| C16 | C17 | C10 | H3 | 82.6° | 50.3° |
| C17 | C16 | H6 | H7 | 116.6° | 120.3° |
| C16 | C17 | H8 | H9 | 118.9° | 119.7° |
| C11 | C12 | S13 | C16 | 41.5° | 54.3° |
| C11 | C12 | S13 | H5 | 120.9° | 119.9° |
| C11 | C12 | S13 | H16 | 120.9° | 119.9° |
| C11 | C12 | S13 | O15 | 76.7° | 168.6° |
| C11 | C12 | S13 | O14 | 153.8° | 60.0° |
| C12 | C11 | C10 | H3 | 63.8° | 50.4° |
| C12 | C11 | H4 | H15 | 117.3° | 119.8° |
| C11 | C12 | H5 | H16 | 117.3° | 120.2° |
| C16 | S13 | C12 | O15 | 118.2° | 114.3° |
| C16 | S13 | C12 | O14 | 112.3° | 114.3° |
| C16 | S13 | O15 | O14 | 122.7° | 125.2° |
| C16 | S13 | C12 | H5 | 162.4° | 65.6° |
| S13 | C16 | H6 | H7 | 116.6° | 120.1° |
| S13 | C16 | C17 | H8 | 145.6° | 56.5° |
| S13 | C16 | C17 | H9 | 95.1° | 176.2° |
| C16 | S13 | C12 | H16 | 79.4° | 174.2° |
| C12 | S13 | O15 | O14 | 125.0° | 125.4° |
| S13 | C12 | C11 | H4 | 129.5° | 176.2° |
| S13 | C12 | H5 | H16 | 117.3° | 120.2° |
| C12 | S13 | C16 | H6 | 59.3° | 174.2° |
| C12 | S13 | C16 | H7 | 177.1° | 65.7° |
| S13 | C12 | C11 | H15 | 112.2° | 56.5° |
| O15 | S13 | C12 | H5 | 44.2° | 48.7° |
| O15 | S13 | C16 | H6 | 177.9° | 71.5° |
| O15 | S13 | C16 | H7 | 64.2° | 48.7° |
| O15 | S13 | C12 | H16 | 162.4° | 71.5° |
| O14 | S13 | C12 | H5 | 85.3° | 179.9° |
| O14 | S13 | C16 | H6 | 54.0° | 59.9° |
| O14 | S13 | C16 | H7 | 63.8° | 180.0° |
| O14 | S13 | C12 | H16 | 32.9° | 59.9° |
| H1 | C07 | C08 | H2 | 0.5° | 0.0° |
| H3 | C10 | C11 | H4 | 57.1° | 69.7° |
| H3 | C10 | C17 | H8 | 157.0° | 170.4° |
| H3 | C10 | C17 | H9 | 37.7° | 69.8° |
| H3 | C10 | C11 | H15 | 175.4° | 170.5° |
| H4 | C11 | C12 | H5 | 8.7° | 63.9° |
| H4 | C11 | C12 | H16 | 109.6° | 56.3° |
| H5 | C12 | C11 | H15 | 127.0° | 176.4° |
| H6 | C16 | C17 | H8 | 24.5° | 63.4° |
| H6 | C16 | C17 | H9 | 143.8° | 56.3° |
| H7 | C16 | C17 | H8 | 93.4° | 176.4° |
| H7 | C16 | C17 | H9 | 25.9° | 63.9° |
| H15 | C11 | C12 | H16 | 8.7° | 63.4° |
