MSM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CB1 | SG1 | sing | 1.81Å | 1.82Å | |
| CB1 | HB11 | sing | 1.09Å | 1.10Å | |
| CB1 | HB12 | sing | 1.09Å | 1.10Å | |
| CB1 | HB13 | sing | 1.09Å | 1.10Å | |
| SG1 | CD1 | sing | 1.81Å | 1.81Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CD1 | HD13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| SG1 | CB1 | HB11 | 109.5° | 109.5° |
| SG1 | CB1 | HB12 | 109.5° | 109.5° |
| SG1 | CB1 | HB13 | 109.5° | 109.5° |
| CB1 | SG1 | CD1 | 93.7° | 100.0° |
| HB11 | CB1 | HB12 | 109.5° | 109.5° |
| HB11 | CB1 | HB13 | 109.5° | 109.5° |
| HB12 | CB1 | HB13 | 109.4° | 109.5° |
| SG1 | CD1 | HD11 | 109.5° | 109.5° |
| SG1 | CD1 | HD12 | 109.5° | 109.5° |
| SG1 | CD1 | HD13 | 109.5° | 109.5° |
| HD11 | CD1 | HD12 | 109.5° | 109.5° |
| HD11 | CD1 | HD13 | 109.4° | 109.5° |
| HD12 | CD1 | HD13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SG1 | CB1 | HB11 | HB12 | 120.0° | 120.0° |
| SG1 | CB1 | HB11 | HB13 | 120.0° | 120.0° |
| SG1 | CB1 | HB12 | HB13 | 120.0° | 120.0° |
| CB1 | SG1 | CD1 | HD11 | 60.2° | 60.0° |
| CB1 | SG1 | CD1 | HD12 | 59.8° | 60.0° |
| CB1 | SG1 | CD1 | HD13 | 179.9° | 180.0° |
| HB11 | CB1 | HB12 | HB13 | 120.0° | 120.0° |
| HB11 | CB1 | SG1 | CD1 | 83.0° | 60.0° |
| HB12 | CB1 | SG1 | CD1 | 157.0° | 60.0° |
| HB13 | CB1 | SG1 | CD1 | 37.0° | 180.0° |
| SG1 | CD1 | HD11 | HD12 | 120.0° | 120.0° |
| SG1 | CD1 | HD11 | HD13 | 120.0° | 120.0° |
| SG1 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| HD11 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
