SFO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
S | O1 | doub | 1.45Å | 1.44Å | |
S | O2 | sing | 1.45Å | 1.44Å | |
S | O3 | sing | 1.63Å | 1.44Å | |
O3 | HO3 | sing | 0.99Å | 0.95Å | |
HS1 | S | sing | 1.34Å | 1.30Å | |
O2 | HO2 | sing | 2.24Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | S | O2 | 112.0° | 122.4° |
O1 | S | O3 | 106.8° | 108.7° |
O1 | S | HS1 | 110.3° | 105.7° |
O2 | S | O3 | 107.2° | 106.9° |
O2 | S | HS1 | 110.2° | 106.4° |
S | O2 | HO2 | 109.5° | 35.2° |
S | O3 | HO3 | 109.5° | 115.3° |
O3 | S | HS1 | 110.2° | 105.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | S | O2 | O3 | 116.9° | 126.1° |
O1 | S | O2 | HS1 | 123.2° | 121.4° |
O1 | S | O3 | HS1 | 119.8° | 113.0° |
O1 | S | O3 | HO3 | 0.0° | 120.7° |
O1 | S | O2 | HO2 | 0.0° | 121.4° |
O2 | S | O3 | HS1 | 119.9° | 113.1° |
O2 | S | O3 | HO3 | 120.2° | 13.3° |
O3 | S | O2 | HO2 | 116.9° | 112.5° |
HO3 | O3 | S | HS1 | 119.8° | 126.3° |
HS1 | S | O2 | HO2 | 123.1° | 0.0° |