R4W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | S | doub | 1.42Å | 1.42Å | |
| C1 | S | sing | 1.81Å | 1.76Å | |
| C1 | C2 | sing | 1.53Å | 1.49Å | |
| C | S | sing | 1.81Å | 1.74Å | |
| S | O1 | doub | 1.42Å | 1.41Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | S | C1 | 108.4° | 108.6° |
| O | S | C | 108.6° | 108.6° |
| O | S | O1 | 117.8° | 119.3° |
| S | C1 | C2 | 107.4° | 109.5° |
| C1 | S | C | 104.2° | 101.9° |
| C1 | S | O1 | 108.0° | 108.6° |
| S | C1 | H7 | 110.0° | 109.5° |
| S | C1 | H8 | 110.0° | 109.5° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.4° | 109.5° |
| C2 | C1 | H7 | 110.0° | 109.5° |
| C2 | C1 | H8 | 110.0° | 109.5° |
| C | S | O1 | 109.0° | 108.6° |
| S | C | H4 | 109.5° | 109.5° |
| S | C | H5 | 109.4° | 109.5° |
| S | C | H6 | 109.4° | 109.5° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.4° |
| H4 | C | H5 | 109.5° | 109.5° |
| H4 | C | H6 | 109.5° | 109.5° |
| H5 | C | H6 | 109.5° | 109.4° |
| H7 | C1 | H8 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | S | C1 | C | 115.6° | 114.5° |
| O | S | C1 | O1 | 128.6° | 131.1° |
| O | S | C1 | C2 | 177.7° | 65.5° |
| O | S | C | O1 | 129.5° | 131.1° |
| O | S | C | H4 | 180.0° | 65.5° |
| O | S | C | H5 | 60.0° | 174.5° |
| O | S | C | H6 | 60.0° | 54.5° |
| O | S | C1 | H7 | 62.6° | 174.4° |
| O | S | C1 | H8 | 58.0° | 54.5° |
| S | C1 | C2 | H7 | 119.7° | 120.0° |
| S | C1 | C2 | H8 | 119.7° | 120.0° |
| C1 | S | C | O1 | 115.1° | 114.5° |
| S | C1 | C2 | H1 | 180.0° | 60.0° |
| S | C1 | C2 | H2 | 60.0° | 180.0° |
| S | C1 | C2 | H3 | 60.0° | 60.0° |
| C1 | S | C | H4 | 64.5° | 180.0° |
| C1 | S | C | H5 | 55.5° | 60.0° |
| C1 | S | C | H6 | 175.4° | 60.0° |
| S | C1 | H7 | H8 | 120.9° | 119.9° |
| C2 | C1 | S | C | 62.1° | 180.0° |
| C2 | C1 | S | O1 | 53.6° | 65.5° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.1° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | H7 | H8 | 120.9° | 120.0° |
| S | C | H4 | H5 | 120.0° | 120.0° |
| S | C | H4 | H6 | 120.0° | 120.0° |
| S | C | H5 | H6 | 120.0° | 120.0° |
| C | S | C1 | H7 | 178.2° | 60.0° |
| C | S | C1 | H8 | 57.6° | 60.0° |
| O1 | S | C | H4 | 50.5° | 65.5° |
| O1 | S | C | H5 | 170.5° | 54.5° |
| O1 | S | C | H6 | 69.5° | 174.5° |
| O1 | S | C1 | H7 | 66.1° | 54.5° |
| O1 | S | C1 | H8 | 173.3° | 174.4° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | H7 | 60.3° | 180.0° |
| H1 | C2 | C1 | H8 | 60.3° | 60.0° |
| H2 | C2 | C1 | H7 | 179.7° | 60.0° |
| H2 | C2 | C1 | H8 | 59.7° | 60.0° |
| H3 | C2 | C1 | H7 | 59.7° | 60.0° |
| H3 | C2 | C1 | H8 | 179.7° | 180.0° |
| H4 | C | H5 | H6 | 120.0° | 120.0° |
