3SL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C1 | sing | 1.34Å | 1.25Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| C1 | O12 | doub | 1.21Å | 1.26Å | |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | S | sing | 1.81Å | 1.66Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| S | O3S | doub | 1.42Å | 1.47Å | |
| S | O1S | doub | 1.42Å | 1.50Å | |
| S | O2S | sing | 1.52Å | 1.47Å | |
| O2S | H2S | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O11 | H11 | 125.2° | 120.0° |
| O11 | C1 | O12 | 125.2° | 119.9° |
| O11 | C1 | C2 | 116.0° | 120.0° |
| O12 | C1 | C2 | 118.8° | 120.1° |
| C1 | C2 | O2 | 107.0° | 109.5° |
| C1 | C2 | C3 | 107.6° | 109.5° |
| C1 | C2 | H2 | 113.7° | 109.5° |
| O2 | C2 | C3 | 113.6° | 109.4° |
| O2 | C2 | H2 | 107.8° | 109.4° |
| C2 | O2 | HO2 | 107.0° | 106.8° |
| C3 | C2 | H2 | 107.2° | 109.5° |
| C2 | C3 | S | 111.8° | 109.5° |
| C2 | C3 | H31 | 111.3° | 109.5° |
| C2 | C3 | H32 | 111.3° | 109.4° |
| S | C3 | H31 | 111.4° | 109.5° |
| S | C3 | H32 | 111.3° | 109.5° |
| C3 | S | O3S | 109.7° | 111.6° |
| C3 | S | O1S | 114.4° | 111.6° |
| C3 | S | O2S | 107.0° | 103.2° |
| H31 | C3 | H32 | 99.0° | 109.4° |
| O3S | S | O1S | 116.6° | 122.1° |
| O3S | S | O2S | 101.1° | 102.8° |
| O1S | S | O2S | 106.7° | 102.7° |
| S | O2S | H2S | 107.1° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C1 | O12 | C2 | 180.0° | 179.9° |
| O11 | C1 | C2 | O2 | 40.3° | 180.0° |
| O11 | C1 | C2 | C3 | 162.8° | 60.0° |
| O11 | C1 | C2 | H2 | 78.6° | 60.0° |
| H11 | O11 | C1 | O12 | 180.0° | 0.0° |
| H11 | O11 | C1 | C2 | 0.0° | 179.9° |
| O12 | C1 | C2 | O2 | 139.7° | 0.1° |
| O12 | C1 | C2 | C3 | 17.2° | 120.0° |
| O12 | C1 | C2 | H2 | 101.4° | 119.9° |
| C1 | C2 | O2 | C3 | 118.7° | 120.0° |
| C1 | C2 | O2 | H2 | 122.7° | 120.0° |
| C1 | C2 | C3 | H2 | 122.7° | 120.1° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | S | 170.6° | 179.9° |
| C1 | C2 | C3 | H31 | 64.1° | 59.9° |
| C1 | C2 | C3 | H32 | 45.3° | 60.0° |
| O2 | C2 | C3 | H2 | 119.0° | 119.9° |
| O2 | C2 | C3 | S | 52.3° | 60.0° |
| O2 | C2 | C3 | H31 | 177.6° | 60.1° |
| O2 | C2 | C3 | H32 | 73.0° | 180.0° |
| C3 | C2 | O2 | HO2 | 61.4° | 60.1° |
| C2 | C3 | S | H31 | 125.3° | 120.1° |
| C2 | C3 | S | H32 | 125.2° | 120.0° |
| C2 | C3 | H31 | H32 | 117.2° | 119.9° |
| C2 | C3 | S | O3S | 100.3° | 70.3° |
| C2 | C3 | S | O1S | 32.9° | 70.3° |
| C2 | C3 | S | O2S | 150.9° | 180.0° |
| H2 | C2 | O2 | HO2 | 57.3° | 180.0° |
| H2 | C2 | C3 | S | 66.7° | 59.9° |
| H2 | C2 | C3 | H31 | 58.6° | NaN° |
| H2 | C2 | C3 | H32 | 168.0° | 60.1° |
| S | C3 | H31 | H32 | 117.2° | 120.0° |
| C3 | S | O3S | O1S | 132.1° | 135.8° |
| C3 | S | O3S | O2S | 112.8° | 110.0° |
| C3 | S | O1S | O2S | 118.2° | 110.0° |
| C3 | S | O2S | H2S | 180.0° | 180.0° |
| H31 | C3 | S | O3S | 25.0° | 49.8° |
| H31 | C3 | S | O1S | 158.2° | 169.7° |
| H31 | C3 | S | O2S | 83.9° | 60.0° |
| H32 | C3 | S | O3S | 134.5° | 169.7° |
| H32 | C3 | S | O1S | 92.3° | 49.7° |
| H32 | C3 | S | O2S | 25.6° | 59.9° |
| O3S | S | O1S | O2S | 111.9° | 114.2° |
| O3S | S | O2S | H2S | 65.2° | 63.8° |
| O1S | S | O2S | H2S | 57.1° | 63.8° |
