S8T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C08 | doub | 1.37Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.37Å | Aromatic |
| C08 | C06 | sing | 1.40Å | 1.41Å | Aromatic |
| F16 | C10 | sing | 1.35Å | 1.33Å | |
| C10 | C11 | doub | 1.37Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.50Å | 1.52Å | |
| C06 | C07 | doub | 1.37Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.49Å | 1.55Å | |
| C11 | C07 | sing | 1.41Å | 1.40Å | Aromatic |
| C07 | S01 | sing | 1.76Å | 1.71Å | |
| C04 | C03 | sing | 1.49Å | 1.56Å | |
| S01 | C02 | sing | 1.76Å | 1.73Å | |
| C03 | C02 | doub | 1.36Å | 1.41Å | Aromatic |
| C03 | C15 | sing | 1.39Å | 1.42Å | Aromatic |
| C02 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C17 | sing | 1.51Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C09 | C10 | 119.2° | 119.4° |
| C09 | C08 | C06 | 123.2° | 122.3° |
| C09 | C08 | H081 | 118.4° | 118.8° |
| C08 | C09 | H091 | 120.4° | 120.3° |
| C09 | C10 | F16 | 119.7° | 120.5° |
| C09 | C10 | C11 | 119.9° | 119.0° |
| C10 | C09 | H091 | 120.4° | 120.3° |
| C08 | C06 | C05 | 116.3° | 112.3° |
| C08 | C06 | C07 | 116.0° | 118.3° |
| C06 | C08 | H081 | 118.4° | 118.8° |
| F16 | C10 | C11 | 120.4° | 120.5° |
| C10 | C11 | C07 | 120.3° | 121.9° |
| C10 | C11 | H111 | 119.9° | 119.1° |
| C05 | C06 | C07 | 127.7° | 129.4° |
| C06 | C05 | C04 | 124.2° | 116.5° |
| C06 | C05 | H1 | 105.7° | 108.1° |
| C06 | C05 | H2 | 105.6° | 108.0° |
| C06 | C07 | C11 | 121.4° | 119.1° |
| C06 | C07 | S01 | 128.3° | 126.0° |
| C05 | C04 | C03 | 124.9° | 112.8° |
| C05 | C04 | H041 | 105.5° | 108.8° |
| C05 | C04 | H042 | 105.5° | 108.8° |
| C04 | C05 | H1 | 105.7° | 108.1° |
| C04 | C05 | H2 | 105.7° | 108.0° |
| C11 | C07 | S01 | 110.3° | 114.9° |
| C07 | C11 | H111 | 119.8° | 119.0° |
| C07 | S01 | C02 | 119.9° | 105.5° |
| C04 | C03 | C02 | 125.5° | 120.9° |
| C04 | C03 | C15 | 118.2° | 119.3° |
| C03 | C04 | H041 | 105.5° | 108.8° |
| C03 | C04 | H042 | 105.5° | 108.8° |
| S01 | C02 | C03 | 131.4° | 118.6° |
| S01 | C02 | C12 | 109.4° | 120.3° |
| C02 | C03 | C15 | 116.3° | 119.8° |
| C03 | C02 | C12 | 119.2° | 121.1° |
| C03 | C15 | C14 | 123.8° | 119.6° |
| C03 | C15 | H151 | 118.1° | 120.2° |
| C02 | C12 | C13 | 123.0° | 119.2° |
| C02 | C12 | H121 | 118.5° | 120.4° |
| C15 | C14 | C13 | 117.1° | 120.4° |
| C15 | C14 | C17 | 124.1° | 119.8° |
| C14 | C15 | H151 | 118.1° | 120.2° |
| C12 | C13 | C14 | 120.6° | 119.9° |
| C13 | C12 | H121 | 118.5° | 120.5° |
| C12 | C13 | H131 | 119.7° | 120.0° |
| C13 | C14 | C17 | 118.9° | 119.8° |
| C14 | C13 | H131 | 119.7° | 120.1° |
| C14 | C17 | C18 | 114.1° | 109.4° |
| C14 | C17 | C19 | 113.0° | 109.5° |
| C14 | C17 | H171 | 107.7° | 109.5° |
| C18 | C17 | C19 | 106.9° | 109.4° |
| C18 | C17 | H171 | 107.5° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.4° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C19 | C17 | H171 | 107.4° | 109.5° |
| C17 | C19 | H192 | 109.5° | 109.5° |
| C17 | C19 | H193 | 109.5° | 109.5° |
| C17 | C19 | H191 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.4° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.4° |
| H192 | C19 | H193 | 109.4° | 109.4° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H193 | C19 | H191 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 108.8° |
| H1 | C05 | H2 | 109.5° | 107.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C09 | C10 | H091 | 180.0° | 179.1° |
| C09 | C08 | C06 | H081 | 180.0° | 179.5° |
| C08 | C09 | C10 | F16 | 179.9° | 178.9° |
| C08 | C09 | C10 | C11 | 0.0° | 1.2° |
| C09 | C08 | C06 | C05 | 179.5° | 179.4° |
| C09 | C08 | C06 | C07 | 0.4° | 0.4° |
| C10 | C09 | C08 | C06 | 0.2° | 1.0° |
| C09 | C10 | F16 | C11 | 179.9° | 179.9° |
| C09 | C10 | C11 | C07 | 0.1° | 0.0° |
| C09 | C10 | C11 | H111 | 179.9° | 179.9° |
| C10 | C09 | C08 | H081 | 179.8° | 179.5° |
| C08 | C06 | C05 | C07 | 179.0° | 179.8° |
| C08 | C06 | C05 | C04 | 139.1° | 167.5° |
| C08 | C06 | C07 | C11 | 0.3° | 1.7° |
| C08 | C06 | C07 | S01 | 179.5° | 177.2° |
| C08 | C06 | C05 | H1 | 98.9° | 70.6° |
| C08 | C06 | C05 | H2 | 17.1° | 45.8° |
| C06 | C08 | C09 | H091 | 179.8° | 179.9° |
| F16 | C10 | C11 | C07 | 180.0° | 179.9° |
| F16 | C10 | C11 | H111 | 0.0° | 0.1° |
| F16 | C10 | C09 | H091 | 0.0° | 0.2° |
| C10 | C11 | C07 | C06 | 0.1° | 1.5° |
| C10 | C11 | C07 | H111 | 180.0° | 179.8° |
| C10 | C11 | C07 | S01 | 179.7° | 177.5° |
| C11 | C10 | C09 | H091 | 180.0° | 179.7° |
| C06 | C05 | C04 | H1 | 122.0° | 121.9° |
| C06 | C05 | C04 | H2 | 122.0° | 121.7° |
| C05 | C06 | C07 | C11 | 179.4° | 178.2° |
| C05 | C06 | C07 | S01 | 0.4° | 3.0° |
| C06 | C05 | C04 | C03 | 55.9° | 72.4° |
| C06 | C05 | C04 | H041 | 178.0° | 166.8° |
| C06 | C05 | C04 | H042 | 66.1° | 48.4° |
| C06 | C05 | H1 | H2 | 113.3° | 116.5° |
| C05 | C06 | C08 | H081 | 0.5° | 1.1° |
| C07 | C06 | C05 | C04 | 41.8° | 12.6° |
| C06 | C07 | C11 | S01 | 179.8° | 179.0° |
| C06 | C07 | S01 | C02 | 18.6° | 45.1° |
| C06 | C07 | C11 | H111 | 179.9° | 178.7° |
| C07 | C06 | C05 | H1 | 80.2° | 109.2° |
| C07 | C06 | C05 | H2 | 163.9° | 134.3° |
| C07 | C06 | C08 | H081 | 179.6° | 179.1° |
| C05 | C04 | C03 | H041 | 122.1° | 120.8° |
| C05 | C04 | C03 | H042 | 122.1° | 120.8° |
| C05 | C04 | C03 | C02 | 27.7° | 76.5° |
| C05 | C04 | C03 | C15 | 154.4° | 101.6° |
| C05 | C04 | H041 | H042 | 113.1° | 118.4° |
| C04 | C05 | H1 | H2 | 113.4° | 116.6° |
| C11 | C07 | S01 | C02 | 161.5° | 136.0° |
| C07 | S01 | C02 | C03 | 6.1° | 63.2° |
| C07 | S01 | C02 | C12 | 174.7° | 118.3° |
| S01 | C07 | C11 | H111 | 0.3° | 2.3° |
| C04 | C03 | C02 | S01 | 2.1° | 5.6° |
| C04 | C03 | C02 | C15 | 178.0° | 178.0° |
| C04 | C03 | C02 | C12 | 178.7° | 175.9° |
| C04 | C03 | C15 | C14 | 179.2° | 176.7° |
| C04 | C03 | C15 | H151 | 0.8° | 3.3° |
| C03 | C04 | H041 | H042 | 113.1° | 118.3° |
| C03 | C04 | C05 | H1 | 66.1° | 49.5° |
| C03 | C04 | C05 | H2 | 177.9° | 166.0° |
| S01 | C02 | C03 | C12 | 179.2° | 178.5° |
| S01 | C02 | C03 | C15 | 179.9° | 176.4° |
| S01 | C02 | C12 | C13 | 179.4° | 177.0° |
| S01 | C02 | C12 | H121 | 0.7° | 2.9° |
| C02 | C03 | C15 | C14 | 1.1° | 1.4° |
| C03 | C02 | C12 | C13 | 0.0° | 1.5° |
| C03 | C02 | C12 | H121 | 180.0° | 178.6° |
| C02 | C03 | C15 | H151 | 178.9° | 178.6° |
| C02 | C03 | C04 | H041 | 149.7° | 162.7° |
| C02 | C03 | C04 | H042 | 94.4° | 44.4° |
| C15 | C03 | C02 | C12 | 0.8° | 2.1° |
| C03 | C15 | C14 | H151 | 180.0° | 180.0° |
| C03 | C15 | C14 | C13 | 0.7° | 0.0° |
| C03 | C15 | C14 | C17 | 179.6° | 179.9° |
| C15 | C03 | C04 | H041 | 32.3° | 19.3° |
| C15 | C03 | C04 | H042 | 83.6° | 137.6° |
| C02 | C12 | C13 | H121 | 180.0° | 179.9° |
| C02 | C12 | C13 | C14 | 0.4° | 0.1° |
| C02 | C12 | C13 | H131 | 179.6° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.7° |
| C15 | C14 | C13 | C17 | 179.7° | 179.9° |
| C15 | C14 | C17 | C18 | 12.1° | 120.0° |
| C15 | C14 | C17 | C19 | 134.4° | 120.0° |
| C15 | C14 | C13 | H131 | 179.9° | 179.3° |
| C15 | C14 | C17 | H171 | 107.1° | 0.1° |
| C12 | C13 | C14 | H131 | 180.0° | 180.0° |
| C12 | C13 | C14 | C17 | 179.6° | 179.3° |
| C13 | C14 | C17 | C18 | 167.6° | 60.0° |
| C13 | C14 | C17 | C19 | 45.3° | 59.9° |
| C14 | C13 | C12 | H121 | 179.5° | 180.0° |
| C13 | C14 | C15 | H151 | 179.3° | 180.0° |
| C13 | C14 | C17 | H171 | 73.2° | 180.0° |
| C14 | C17 | C18 | C19 | 125.7° | 120.0° |
| C14 | C17 | C18 | H171 | 119.3° | 120.0° |
| C14 | C17 | C19 | H171 | 118.6° | 120.0° |
| C17 | C14 | C13 | H131 | 0.4° | 0.8° |
| C17 | C14 | C15 | H151 | 0.4° | 0.1° |
| C14 | C17 | C18 | H181 | 180.0° | 180.0° |
| C14 | C17 | C18 | H182 | 60.0° | 60.0° |
| C14 | C17 | C18 | H183 | 60.0° | 60.0° |
| C14 | C17 | C19 | H192 | 180.0° | 60.1° |
| C14 | C17 | C19 | H193 | 60.0° | 180.0° |
| C14 | C17 | C19 | H191 | 60.0° | 60.0° |
| C18 | C17 | C19 | H171 | 115.1° | 120.0° |
| C17 | C18 | H181 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H183 | 120.0° | 120.0° |
| C17 | C18 | H182 | H183 | 120.0° | 120.0° |
| C18 | C17 | C19 | H192 | 53.7° | 180.0° |
| C18 | C17 | C19 | H193 | 66.3° | 60.1° |
| C18 | C17 | C19 | H191 | 173.7° | 60.0° |
| C19 | C17 | C18 | H181 | 54.3° | 60.0° |
| C19 | C17 | C18 | H182 | 174.4° | 180.0° |
| C19 | C17 | C18 | H183 | 65.6° | 60.0° |
| C17 | C19 | H192 | H193 | 120.0° | 120.0° |
| C17 | C19 | H192 | H191 | 120.0° | 120.1° |
| C17 | C19 | H193 | H191 | 120.0° | 120.1° |
| H121 | C12 | C13 | H131 | 0.5° | 0.0° |
| H171 | C17 | C18 | H181 | 60.7° | 60.0° |
| H171 | C17 | C18 | H182 | 59.3° | 60.0° |
| H171 | C17 | C18 | H183 | 179.3° | 179.9° |
| H171 | C17 | C19 | H192 | 61.4° | 60.0° |
| H171 | C17 | C19 | H193 | 178.6° | 59.9° |
| H171 | C17 | C19 | H191 | 58.6° | NaN° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| H192 | C19 | H193 | H191 | 120.0° | 119.9° |
| H041 | C04 | C05 | H1 | 56.0° | 71.3° |
| H041 | C04 | C05 | H2 | 60.0° | 45.2° |
| H042 | C04 | C05 | H1 | 171.9° | 170.2° |
| H042 | C04 | C05 | H2 | 55.9° | 73.3° |
| H081 | C08 | C09 | H091 | 0.2° | 0.4° |
