MSF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C1 | doub | 0.00Å | 1.22Å | |
| O6 | C1 | sing | 0.00Å | 1.23Å | |
| C1 | C2 | sing | 0.00Å | 1.48Å | |
| C2 | SE3 | sing | 0.00Å | 1.87Å | |
| C2 | H21 | sing | 0.00Å | 1.11Å | |
| C2 | H22 | sing | 0.00Å | 1.12Å | |
| SE3 | C4 | sing | 0.00Å | 1.93Å | |
| C4 | H41 | sing | 0.00Å | 1.11Å | |
| C4 | H42 | sing | 0.00Å | 1.11Å | |
| C4 | H43 | sing | 0.00Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C1 | O6 | 121.8° | 90.0° |
| O5 | C1 | C2 | 119.0° | 90.0° |
| O6 | C1 | C2 | 119.2° | 90.0° |
| C1 | C2 | SE3 | 122.7° | 90.0° |
| C1 | C2 | H21 | 107.5° | 90.0° |
| C1 | C2 | H22 | 107.4° | 90.0° |
| SE3 | C2 | H21 | 107.6° | 90.0° |
| SE3 | C2 | H22 | 107.5° | 90.0° |
| C2 | SE3 | C4 | 78.8° | 90.0° |
| H21 | C2 | H22 | 102.3° | 90.0° |
| SE3 | C4 | H41 | 78.8° | 90.0° |
| SE3 | C4 | H42 | 125.1° | 90.0° |
| SE3 | C4 | H43 | 125.0° | 90.0° |
| H41 | C4 | H42 | 125.2° | 90.0° |
| H41 | C4 | H43 | 125.2° | 90.0° |
| H42 | C4 | H43 | 83.8° | 90.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C1 | O6 | C2 | 178.5° | 90.0° |
| O5 | C1 | C2 | SE3 | 155.3° | 90.0° |
| O5 | C1 | C2 | H21 | 29.9° | 90.0° |
| O5 | C1 | C2 | H22 | 79.5° | 90.0° |
| O6 | C1 | C2 | SE3 | 23.3° | 90.0° |
| O6 | C1 | C2 | H21 | 148.6° | 90.0° |
| O6 | C1 | C2 | H22 | 101.9° | 90.0° |
| C1 | C2 | SE3 | H21 | 125.3° | 90.0° |
| C1 | C2 | SE3 | H22 | 125.2° | 90.0° |
| C1 | C2 | H21 | H22 | 113.0° | 90.0° |
| C1 | C2 | SE3 | C4 | 176.3° | 90.0° |
| SE3 | C2 | H21 | H22 | 113.1° | 90.0° |
| C2 | SE3 | C4 | H41 | 180.0° | 90.0° |
| C2 | SE3 | C4 | H42 | 54.7° | 90.0° |
| C2 | SE3 | C4 | H43 | 54.7° | 90.0° |
| H21 | C2 | SE3 | C4 | 51.0° | 90.0° |
| H22 | C2 | SE3 | C4 | 58.5° | 90.0° |
| SE3 | C4 | H41 | H42 | 125.2° | 90.0° |
| SE3 | C4 | H41 | H43 | 125.2° | 90.0° |
| SE3 | C4 | H42 | H43 | 129.0° | 90.0° |
| H41 | C4 | H42 | H43 | 129.2° | 90.0° |






