SSG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | S1 | sing | 1.81Å | 1.84Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | O5 | sing | 1.43Å | 1.43Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
S1 | H1S | sing | 1.34Å | 0.95Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | C3 | sing | 1.53Å | 1.51Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C4 | S4 | sing | 1.81Å | 1.82Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | O6 | sing | 1.43Å | 1.42Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.11Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
S4 | H4S | sing | 1.34Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
S1 | C1 | C2 | 101.9° | 109.4° |
S1 | C1 | O5 | 113.3° | 109.4° |
S1 | C1 | H1 | 112.1° | 109.4° |
C1 | S1 | H1S | 101.9° | 100.0° |
C2 | C1 | O5 | 109.6° | 109.8° |
C2 | C1 | H1 | 115.6° | 109.4° |
C1 | C2 | O2 | 110.3° | 109.6° |
C1 | C2 | C3 | 109.0° | 109.1° |
C1 | C2 | H2 | 109.1° | 109.5° |
O5 | C1 | H1 | 104.7° | 109.4° |
C1 | O5 | C5 | 112.2° | 107.6° |
O2 | C2 | C3 | 109.1° | 109.7° |
O2 | C2 | H2 | 109.0° | 109.5° |
C2 | O2 | HO2 | 110.3° | 106.8° |
C3 | C2 | H2 | 110.3° | 109.5° |
C2 | C3 | O3 | 109.0° | 109.6° |
C2 | C3 | C4 | 111.2° | 108.7° |
C2 | C3 | H3 | 108.8° | 109.5° |
O3 | C3 | C4 | 110.0° | 109.8° |
O3 | C3 | H3 | 110.1° | 109.6° |
C3 | O3 | HO3 | 108.9° | 106.8° |
C4 | C3 | H3 | 107.7° | 109.6° |
C3 | C4 | C5 | 111.4° | 109.0° |
C3 | C4 | S4 | 110.8° | 109.6° |
C3 | C4 | H4 | 107.5° | 109.5° |
C5 | C4 | S4 | 110.2° | 109.6° |
C5 | C4 | H4 | 108.1° | 109.6° |
C4 | C5 | O5 | 110.8° | 109.8° |
C4 | C5 | C6 | 112.4° | 109.4° |
C4 | C5 | H5 | 105.6° | 109.4° |
S4 | C4 | H4 | 108.7° | 109.5° |
C4 | S4 | H4S | 110.8° | 100.0° |
O5 | C5 | C6 | 106.4° | 109.4° |
O5 | C5 | H5 | 111.6° | 109.4° |
C6 | C5 | H5 | 110.1° | 109.4° |
C5 | C6 | O6 | 111.3° | 109.5° |
C5 | C6 | H61 | 111.6° | 109.4° |
C5 | C6 | H62 | 111.6° | 109.5° |
O6 | C6 | H61 | 111.5° | 109.5° |
O6 | C6 | H62 | 111.5° | 109.5° |
C6 | O6 | HO6 | 111.4° | 106.8° |
H61 | C6 | H62 | 98.8° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
S1 | C1 | C2 | O5 | 120.2° | 120.1° |
S1 | C1 | C2 | H1 | 121.8° | 119.8° |
S1 | C1 | O5 | H1 | 122.4° | 119.8° |
S1 | C1 | C2 | O2 | 58.8° | 58.7° |
S1 | C1 | C2 | C3 | 178.6° | 178.7° |
S1 | C1 | C2 | H2 | 60.9° | 61.5° |
S1 | C1 | O5 | C5 | 178.2° | 172.4° |
C2 | C1 | O5 | H1 | 124.6° | 120.1° |
C2 | C1 | S1 | H1S | 180.0° | 179.7° |
C1 | C2 | O2 | C3 | 119.7° | 119.7° |
C1 | C2 | O2 | H2 | 119.7° | 120.1° |
C1 | C2 | C3 | H2 | 119.7° | 119.8° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
C1 | C2 | C3 | O3 | 175.1° | 173.7° |
C1 | C2 | C3 | C4 | 53.6° | 53.7° |
C1 | C2 | C3 | H3 | 64.9° | 66.1° |
C2 | C1 | O5 | C5 | 65.1° | 67.5° |
O5 | C1 | S1 | H1S | 62.4° | 59.9° |
O5 | C1 | C2 | O2 | 179.1° | 178.8° |
O5 | C1 | C2 | C3 | 61.1° | 61.2° |
O5 | C1 | C2 | H2 | 59.3° | 58.7° |
C1 | O5 | C5 | C4 | 59.3° | 67.6° |
C1 | O5 | C5 | C6 | 178.2° | 172.3° |
C1 | O5 | C5 | H5 | 58.1° | 52.6° |
H1 | C1 | S1 | H1S | 55.8° | 59.9° |
H1 | C1 | C2 | O2 | 63.0° | 61.2° |
H1 | C1 | C2 | C3 | 56.8° | 58.9° |
H1 | C1 | C2 | H2 | 177.3° | 178.7° |
H1 | C1 | O5 | C5 | 59.4° | 52.6° |
O2 | C2 | C3 | H2 | 119.7° | 120.2° |
O2 | C2 | C3 | O3 | 64.4° | 66.4° |
O2 | C2 | C3 | C4 | 174.2° | 173.6° |
O2 | C2 | C3 | H3 | 55.7° | 53.9° |
C3 | C2 | O2 | HO2 | 60.2° | 179.7° |
C2 | C3 | O3 | C4 | 122.2° | 119.3° |
C2 | C3 | O3 | H3 | 119.3° | 120.2° |
C2 | C3 | C4 | H3 | 119.2° | 119.7° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
C2 | C3 | C4 | C5 | 48.9° | 53.7° |
C2 | C3 | C4 | S4 | 172.0° | 173.7° |
C2 | C3 | C4 | H4 | 69.3° | 66.2° |
H2 | C2 | O2 | HO2 | 60.3° | 60.2° |
H2 | C2 | C3 | O3 | 55.4° | 53.8° |
H2 | C2 | C3 | C4 | 66.1° | 66.2° |
H2 | C2 | C3 | H3 | 175.4° | 174.1° |
O3 | C3 | C4 | H3 | 120.0° | 120.4° |
O3 | C3 | C4 | C5 | 169.8° | 173.6° |
O3 | C3 | C4 | S4 | 67.2° | 66.4° |
O3 | C3 | C4 | H4 | 51.5° | 53.7° |
C4 | C3 | O3 | HO3 | 57.8° | 179.3° |
C3 | C4 | C5 | S4 | 123.4° | 119.9° |
C3 | C4 | C5 | H4 | 117.9° | 119.8° |
C3 | C4 | S4 | H4 | 118.0° | 120.1° |
C3 | C4 | C5 | O5 | 50.3° | 61.3° |
C3 | C4 | C5 | C6 | 169.3° | 178.6° |
C3 | C4 | C5 | H5 | 70.7° | 58.8° |
C3 | C4 | S4 | H4S | 180.0° | 59.9° |
H3 | C3 | O3 | HO3 | 60.7° | 60.3° |
H3 | C3 | C4 | C5 | 70.2° | 66.0° |
H3 | C3 | C4 | S4 | 52.8° | 54.0° |
H3 | C3 | C4 | H4 | 171.5° | 174.2° |
C5 | C4 | S4 | H4 | 118.3° | 120.3° |
C4 | C5 | O5 | C6 | 122.5° | 120.1° |
C4 | C5 | O5 | H5 | 117.4° | 120.1° |
C4 | C5 | C6 | H5 | 117.4° | 119.9° |
C4 | C5 | C6 | O6 | 175.1° | 179.9° |
C4 | C5 | C6 | H61 | 59.6° | 60.2° |
C4 | C5 | C6 | H62 | 49.8° | 59.8° |
C5 | C4 | S4 | H4S | 56.2° | 179.5° |
S4 | C4 | C5 | O5 | 173.7° | 178.8° |
S4 | C4 | C5 | C6 | 67.3° | 58.7° |
S4 | C4 | C5 | H5 | 52.7° | 61.1° |
H4 | C4 | C5 | O5 | 67.6° | 58.5° |
H4 | C4 | C5 | C6 | 51.4° | 61.6° |
H4 | C4 | C5 | H5 | 171.4° | 178.6° |
H4 | C4 | S4 | H4S | 62.1° | 60.2° |
O5 | C5 | C6 | H5 | 121.1° | 119.8° |
O5 | C5 | C6 | O6 | 53.6° | 59.8° |
O5 | C5 | C6 | H61 | 178.9° | 60.2° |
O5 | C5 | C6 | H62 | 71.7° | 179.9° |
C5 | C6 | O6 | H61 | 125.3° | 119.9° |
C5 | C6 | O6 | H62 | 125.3° | 120.1° |
C5 | C6 | H61 | H62 | 117.5° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 179.9° |
H5 | C5 | C6 | O6 | 67.5° | 60.0° |
H5 | C5 | C6 | H61 | 57.8° | 180.0° |
H5 | C5 | C6 | H62 | 167.2° | 60.1° |
O6 | C6 | H61 | H62 | 117.4° | 120.0° |
H61 | C6 | O6 | HO6 | 54.7° | 60.1° |
H62 | C6 | O6 | HO6 | 54.7° | 59.9° |