CC8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C4 | doub | 1.21Å | 1.27Å | |
| C4 | C2 | sing | 1.51Å | 1.53Å | |
| C4 | OXT | sing | 1.34Å | 1.35Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | S | sing | 1.81Å | 1.79Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C3 | H33C | sing | 1.09Å | 1.10Å | |
| S | H | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C4 | C2 | 118.8° | 120.0° |
| O1 | C4 | OXT | 119.2° | 120.0° |
| C2 | C4 | OXT | 122.0° | 120.0° |
| C4 | C2 | C1 | 108.3° | 109.5° |
| C4 | C2 | C3 | 107.4° | 109.5° |
| C4 | C2 | H2 | 112.9° | 109.5° |
| C4 | OXT | HXT | 109.5° | 117.0° |
| C1 | C2 | C3 | 113.1° | 109.5° |
| C2 | C1 | S | 114.6° | 109.5° |
| C1 | C2 | H2 | 107.2° | 109.5° |
| C2 | C1 | H11C | 107.8° | 109.5° |
| C2 | C1 | H12C | 106.6° | 109.5° |
| C3 | C2 | H2 | 108.1° | 109.4° |
| C2 | C3 | H31C | 109.5° | 109.5° |
| C2 | C3 | H32C | 109.5° | 109.5° |
| C2 | C3 | H33C | 109.4° | 109.5° |
| S | C1 | H11C | 107.8° | 109.4° |
| S | C1 | H12C | 106.6° | 109.5° |
| C1 | S | H | 109.5° | 103.0° |
| H11C | C1 | H12C | 113.6° | 109.5° |
| H31C | C3 | H32C | 109.5° | 109.4° |
| H31C | C3 | H33C | 109.5° | 109.5° |
| H32C | C3 | H33C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C4 | C2 | OXT | 179.4° | 179.7° |
| O1 | C4 | C2 | C1 | 30.8° | 0.0° |
| O1 | C4 | C2 | C3 | 91.6° | 120.0° |
| O1 | C4 | C2 | H2 | 149.4° | 120.0° |
| O1 | C4 | OXT | HXT | 0.0° | 0.0° |
| C4 | C2 | C1 | C3 | 118.8° | 120.0° |
| C4 | C2 | C1 | H2 | 122.1° | 120.0° |
| C4 | C2 | C3 | H2 | 122.1° | 120.0° |
| C4 | C2 | C1 | S | 84.4° | 175.0° |
| C2 | C4 | OXT | HXT | 179.4° | 179.7° |
| C4 | C2 | C1 | H11C | 35.6° | 55.0° |
| C4 | C2 | C1 | H12C | 157.8° | 65.0° |
| C4 | C2 | C3 | H31C | 85.8° | 60.0° |
| C4 | C2 | C3 | H32C | 34.2° | 180.0° |
| C4 | C2 | C3 | H33C | 154.2° | 60.0° |
| OXT | C4 | C2 | C1 | 149.8° | 179.7° |
| OXT | C4 | C2 | C3 | 87.8° | 59.7° |
| OXT | C4 | C2 | H2 | 31.2° | 60.3° |
| C1 | C2 | C3 | H2 | 118.5° | 120.0° |
| C2 | C1 | S | H11C | 120.0° | 120.0° |
| C2 | C1 | S | H12C | 117.7° | 120.0° |
| C2 | C1 | H11C | H12C | 117.9° | 120.0° |
| C1 | C2 | C3 | H31C | 33.5° | 180.0° |
| C1 | C2 | C3 | H32C | 153.6° | 60.0° |
| C1 | C2 | C3 | H33C | 86.4° | 60.0° |
| C2 | C1 | S | H | 22.0° | 180.0° |
| C3 | C2 | C1 | S | 156.7° | 65.0° |
| C3 | C2 | C1 | H11C | 83.3° | 175.1° |
| C3 | C2 | C1 | H12C | 39.0° | 55.0° |
| C2 | C3 | H31C | H32C | 120.0° | 120.1° |
| C2 | C3 | H31C | H33C | 120.0° | 120.0° |
| C2 | C3 | H32C | H33C | 119.9° | 120.1° |
| S | C1 | C2 | H2 | 37.7° | 55.0° |
| S | C1 | H11C | H12C | 117.9° | 120.0° |
| H2 | C2 | C1 | H11C | 157.7° | 65.0° |
| H2 | C2 | C1 | H12C | 80.1° | 175.0° |
| H2 | C2 | C3 | H31C | 152.1° | 60.0° |
| H2 | C2 | C3 | H32C | 87.9° | 60.0° |
| H2 | C2 | C3 | H33C | 32.1° | 180.0° |
| H11C | C1 | S | H | 142.0° | 60.0° |
| H12C | C1 | S | H | 95.7° | 60.0° |
| H31C | C3 | H32C | H33C | 120.0° | 119.9° |
