8SF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C15 | sing | 1.53Å | 1.51Å | |
| C13 | S12 | sing | 1.81Å | 1.78Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C01 | C02 | doub | 1.38Å | 1.51Å | Aromatic |
| C01 | C06 | sing | 1.39Å | 1.50Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.51Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.50Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.51Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.51Å | Aromatic |
| C06 | N07 | sing | 1.40Å | 1.41Å | |
| N07 | C08 | sing | 1.36Å | 1.35Å | Aromatic |
| N07 | N11 | sing | 1.41Å | 1.35Å | Aromatic |
| C08 | N09 | doub | 1.32Å | 1.34Å | Aromatic |
| C08 | S12 | sing | 1.76Å | 1.78Å | |
| N09 | N10 | sing | 1.28Å | 1.34Å | Aromatic |
| N10 | N11 | doub | 1.29Å | 1.33Å | Aromatic |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.08Å | 1.08Å | |
| C02 | H5 | sing | 1.08Å | 1.08Å | |
| C03 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C05 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C13 | S12 | 108.4° | 109.5° |
| C15 | C13 | C14 | 108.6° | 109.5° |
| C15 | C13 | H12 | 110.1° | 109.5° |
| C13 | C15 | H1 | 109.5° | 109.4° |
| C13 | C15 | H2 | 109.5° | 109.5° |
| C13 | C15 | H3 | 109.5° | 109.5° |
| S12 | C13 | C14 | 112.9° | 109.5° |
| C13 | S12 | C08 | 110.4° | 100.0° |
| S12 | C13 | H12 | 106.9° | 109.5° |
| C14 | C13 | H12 | 110.0° | 109.5° |
| C13 | C14 | H9 | 109.5° | 109.5° |
| C13 | C14 | H10 | 109.4° | 109.5° |
| C13 | C14 | H11 | 109.5° | 109.5° |
| C02 | C01 | C06 | 119.0° | 119.9° |
| C01 | C02 | C03 | 120.2° | 120.1° |
| C02 | C01 | H4 | 120.5° | 120.1° |
| C01 | C02 | H5 | 119.9° | 120.0° |
| C01 | C06 | C05 | 121.0° | 119.9° |
| C01 | C06 | N07 | 121.6° | 120.0° |
| C06 | C01 | H4 | 120.5° | 120.0° |
| C02 | C03 | C04 | 120.1° | 120.1° |
| C03 | C02 | H5 | 119.9° | 119.9° |
| C02 | C03 | H6 | 120.0° | 120.0° |
| C03 | C04 | C05 | 120.0° | 120.1° |
| C04 | C03 | H6 | 120.0° | 119.9° |
| C03 | C04 | H7 | 120.0° | 119.9° |
| C04 | C05 | C06 | 119.7° | 119.9° |
| C05 | C04 | H7 | 120.0° | 120.0° |
| C04 | C05 | H8 | 120.2° | 120.0° |
| C05 | C06 | N07 | 117.4° | 120.1° |
| C06 | C05 | H8 | 120.2° | 120.1° |
| C06 | N07 | C08 | 128.6° | 127.4° |
| C06 | N07 | N11 | 122.6° | 127.4° |
| C08 | N07 | N11 | 108.8° | 105.2° |
| N07 | C08 | N09 | 106.6° | 107.0° |
| N07 | C08 | S12 | 127.9° | 126.5° |
| N07 | N11 | N10 | 107.7° | 106.9° |
| N09 | C08 | S12 | 125.5° | 126.5° |
| C08 | N09 | N10 | 109.2° | 110.5° |
| N09 | N10 | N11 | 107.8° | 110.4° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H1 | C15 | H3 | 109.5° | 109.4° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H9 | C14 | H11 | 109.4° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C13 | S12 | C14 | 120.4° | 120.0° |
| C15 | C13 | S12 | H12 | 118.6° | 120.0° |
| C15 | C13 | C14 | H12 | 120.5° | 120.0° |
| C15 | C13 | S12 | C08 | 160.2° | 65.0° |
| C13 | C15 | H1 | H2 | 120.0° | 120.0° |
| C13 | C15 | H1 | H3 | 120.0° | 119.9° |
| C13 | C15 | H2 | H3 | 120.0° | 120.0° |
| C15 | C13 | C14 | H9 | 180.0° | 60.0° |
| C15 | C13 | C14 | H10 | 60.0° | 180.0° |
| C15 | C13 | C14 | H11 | 60.0° | 60.0° |
| S12 | C13 | C14 | H12 | 119.3° | 120.0° |
| C13 | S12 | C08 | N07 | 160.4° | 180.0° |
| C13 | S12 | C08 | N09 | 20.7° | 0.0° |
| S12 | C13 | C15 | H1 | 180.0° | 60.0° |
| S12 | C13 | C15 | H2 | 60.0° | 60.0° |
| S12 | C13 | C15 | H3 | 60.0° | 180.0° |
| S12 | C13 | C14 | H9 | 59.8° | 180.0° |
| S12 | C13 | C14 | H10 | 60.2° | 60.0° |
| S12 | C13 | C14 | H11 | 179.8° | 60.0° |
| C14 | C13 | S12 | C08 | 39.8° | 175.0° |
| C14 | C13 | C15 | H1 | 57.0° | 60.0° |
| C14 | C13 | C15 | H2 | 63.0° | 180.0° |
| C14 | C13 | C15 | H3 | 177.1° | 59.9° |
| C13 | C14 | H9 | H10 | 120.0° | 120.0° |
| C13 | C14 | H9 | H11 | 120.0° | 120.0° |
| C13 | C14 | H10 | H11 | 120.0° | 120.0° |
| C02 | C01 | C06 | H4 | 180.0° | 179.7° |
| C01 | C02 | C03 | H5 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.2° | 0.0° |
| C02 | C01 | C06 | C05 | 1.0° | 0.1° |
| C02 | C01 | C06 | N07 | 179.1° | 180.0° |
| C01 | C02 | C03 | H6 | 179.9° | 179.9° |
| C06 | C01 | C02 | C03 | 0.6° | 0.0° |
| C01 | C06 | C05 | C04 | 0.8° | 0.0° |
| C01 | C06 | C05 | N07 | 178.3° | 180.0° |
| C01 | C06 | N07 | C08 | 63.5° | 145.0° |
| C01 | C06 | N07 | N11 | 118.3° | 35.4° |
| C06 | C01 | C02 | H5 | 179.3° | 180.0° |
| C01 | C06 | C05 | H8 | 179.2° | 179.9° |
| C02 | C03 | C04 | H6 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.0° | 0.1° |
| C03 | C02 | C01 | H4 | 179.4° | 179.7° |
| C02 | C03 | C04 | H7 | 180.0° | 180.0° |
| C03 | C04 | C05 | H7 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.3° | 0.1° |
| C04 | C03 | C02 | H5 | 179.8° | 179.9° |
| C03 | C04 | C05 | H8 | 179.7° | 180.0° |
| C04 | C05 | C06 | H8 | 180.0° | 179.9° |
| C04 | C05 | C06 | N07 | 179.1° | 180.0° |
| C05 | C04 | C03 | H6 | 179.9° | 180.0° |
| C05 | C06 | N07 | C08 | 118.3° | 35.0° |
| C05 | C06 | N07 | N11 | 59.9° | 144.7° |
| C05 | C06 | C01 | H4 | 179.1° | 179.7° |
| C06 | C05 | C04 | H7 | 179.7° | 180.0° |
| C06 | N07 | C08 | N11 | 178.4° | 179.7° |
| C06 | N07 | C08 | N09 | 179.3° | 180.0° |
| C06 | N07 | C08 | S12 | 1.6° | 0.0° |
| C06 | N07 | N11 | N10 | 179.4° | 179.9° |
| N07 | C06 | C01 | H4 | 0.9° | 0.3° |
| N07 | C06 | C05 | H8 | 1.0° | 0.1° |
| N07 | C08 | N09 | S12 | 179.1° | 180.0° |
| N07 | C08 | N09 | N10 | 0.7° | 0.0° |
| C08 | N07 | N11 | N10 | 0.9° | 0.4° |
| N11 | N07 | C08 | N09 | 0.9° | 0.3° |
| N11 | N07 | C08 | S12 | 180.0° | 179.7° |
| N07 | N11 | N10 | N09 | 0.5° | 0.4° |
| C08 | N09 | N10 | N11 | 0.1° | 0.3° |
| S12 | C08 | N09 | N10 | 179.8° | 180.0° |
| C08 | S12 | C13 | H12 | 81.2° | 55.0° |
| H12 | C13 | C15 | H1 | 63.4° | 180.0° |
| H12 | C13 | C15 | H2 | 176.6° | 60.0° |
| H12 | C13 | C15 | H3 | 56.6° | 60.0° |
| H12 | C13 | C14 | H9 | 59.5° | 60.0° |
| H12 | C13 | C14 | H10 | 179.5° | 60.0° |
| H12 | C13 | C14 | H11 | 60.5° | 180.0° |
| H1 | C15 | H2 | H3 | 120.0° | 120.0° |
| H4 | C01 | C02 | H5 | 0.6° | 0.3° |
| H5 | C02 | C03 | H6 | 0.1° | 0.0° |
| H6 | C03 | C04 | H7 | 0.1° | 0.1° |
| H7 | C04 | C05 | H8 | 0.3° | 0.1° |
| H9 | C14 | H10 | H11 | 120.0° | 120.0° |
