5LS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O5 | sing | 1.43Å | 1.43Å | |
C1 | O1 | sing | 1.43Å | 1.37Å | |
C1 | C2 | sing | 1.53Å | 1.57Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | C3 | sing | 1.53Å | 1.55Å | |
O2 | S1 | sing | 1.52Å | 1.51Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C4 | C5 | sing | 1.53Å | 1.52Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
O4 | S2 | sing | 1.52Å | 1.52Å | |
S1 | O8 | doub | 1.42Å | 1.51Å | |
S1 | O9 | doub | 1.42Å | 1.51Å | |
S1 | O7 | sing | 1.52Å | 1.51Å | |
S2 | O09 | doub | 1.42Å | 1.50Å | |
S2 | O08 | doub | 1.42Å | 1.51Å | |
S2 | O07 | sing | 1.52Å | 1.51Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
O7 | H10 | sing | 0.97Å | 0.95Å | |
O07 | H11 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O5 | C1 | O1 | 109.1° | 109.5° |
O5 | C1 | C2 | 111.7° | 109.5° |
C1 | O5 | C5 | 112.3° | 114.1° |
O5 | C1 | H1 | 109.2° | 109.5° |
O1 | C1 | C2 | 109.5° | 109.4° |
O1 | C1 | H1 | 109.9° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
C1 | C2 | O2 | 108.4° | 109.5° |
C1 | C2 | C3 | 113.3° | 109.1° |
C2 | C1 | H1 | 107.4° | 109.5° |
C1 | C2 | H2 | 108.2° | 109.5° |
O2 | C2 | C3 | 108.4° | 109.5° |
C2 | O2 | S1 | 113.5° | 114.0° |
O2 | C2 | H2 | 110.1° | 109.5° |
C2 | C3 | C4 | 113.5° | 109.0° |
C2 | C3 | O3 | 109.1° | 109.5° |
C3 | C2 | H2 | 108.4° | 109.6° |
C2 | C3 | H3 | 107.7° | 109.6° |
O2 | S1 | O8 | 110.0° | 106.4° |
O2 | S1 | O9 | 109.3° | 106.4° |
O2 | S1 | O7 | 109.2° | 107.2° |
C4 | C3 | O3 | 109.4° | 109.5° |
C3 | C4 | C5 | 107.4° | 109.2° |
C3 | C4 | O4 | 109.7° | 109.5° |
C4 | C3 | H3 | 107.8° | 109.5° |
C3 | C4 | H4 | 109.2° | 109.5° |
O3 | C3 | H3 | 109.3° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C5 | C4 | O4 | 110.3° | 109.5° |
C4 | C5 | C6 | 114.8° | 109.5° |
C4 | C5 | O5 | 108.5° | 109.4° |
C5 | C4 | H4 | 109.3° | 109.5° |
C4 | C5 | H5 | 108.2° | 109.4° |
C4 | O4 | S2 | 113.0° | 114.0° |
O4 | C4 | H4 | 110.7° | 109.6° |
C6 | C5 | O5 | 108.1° | 109.5° |
C5 | C6 | O6 | 112.2° | 109.5° |
C6 | C5 | H5 | 108.0° | 109.5° |
C5 | C6 | H61 | 108.8° | 109.5° |
C5 | C6 | H62 | 108.8° | 109.5° |
O5 | C5 | H5 | 109.2° | 109.5° |
O6 | C6 | H61 | 108.8° | 109.4° |
O6 | C6 | H62 | 108.8° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
O4 | S2 | O09 | 109.6° | 106.4° |
O4 | S2 | O08 | 109.7° | 106.4° |
O4 | S2 | O07 | 109.7° | 107.2° |
O8 | S1 | O9 | 109.9° | 123.2° |
O8 | S1 | O7 | 109.2° | 106.4° |
O9 | S1 | O7 | 109.3° | 106.4° |
S1 | O7 | H10 | 109.5° | 114.0° |
O09 | S2 | O08 | 108.9° | 123.2° |
O09 | S2 | O07 | 109.7° | 106.4° |
O08 | S2 | O07 | 109.2° | 106.4° |
S2 | O07 | H11 | 109.5° | 114.0° |
H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5 | C1 | O1 | C2 | 122.5° | 120.0° |
O5 | C1 | O1 | H1 | 119.7° | 120.0° |
O5 | C1 | C2 | H1 | 119.7° | 120.0° |
O5 | C1 | C2 | O2 | 161.1° | 177.5° |
O5 | C1 | C2 | C3 | 40.8° | 57.6° |
C1 | O5 | C5 | C4 | 70.5° | 61.1° |
C1 | O5 | C5 | C6 | 164.5° | 178.9° |
O5 | C1 | O1 | HO1 | 180.0° | 60.1° |
O5 | C1 | C2 | H2 | 79.5° | 62.4° |
C1 | O5 | C5 | H5 | 47.2° | 58.8° |
O1 | C1 | C2 | H1 | 119.4° | 120.0° |
O1 | C1 | C2 | O2 | 40.1° | 57.5° |
O1 | C1 | C2 | C3 | 80.2° | 62.4° |
O1 | C1 | O5 | C5 | 64.5° | 58.8° |
O1 | C1 | C2 | H2 | 159.5° | 177.7° |
C1 | C2 | O2 | C3 | 123.3° | 119.7° |
C1 | C2 | O2 | H2 | 118.2° | 120.1° |
C1 | C2 | C3 | H2 | 120.1° | 119.9° |
C1 | C2 | O2 | S1 | 93.7° | 95.0° |
C1 | C2 | C3 | C4 | 39.6° | 57.0° |
C1 | C2 | C3 | O3 | 161.9° | 176.8° |
C2 | C1 | O5 | C5 | 56.7° | 61.1° |
C2 | C1 | O1 | HO1 | 57.5° | 180.0° |
C1 | C2 | C3 | H3 | 79.6° | 62.9° |
O2 | C2 | C3 | H2 | 119.6° | 120.2° |
O2 | C2 | C3 | C4 | 160.0° | 176.9° |
O2 | C2 | C3 | O3 | 77.8° | 63.3° |
C2 | O2 | S1 | O8 | 55.7° | 171.5° |
C2 | O2 | S1 | O9 | 65.0° | 38.5° |
C2 | O2 | S1 | O7 | 175.5° | 75.0° |
O2 | C2 | C1 | H1 | 79.2° | 62.5° |
O2 | C2 | C3 | H3 | 40.7° | 57.0° |
C3 | C2 | O2 | S1 | 143.0° | 145.3° |
C2 | C3 | C4 | O3 | 122.1° | 119.9° |
C2 | C3 | C4 | H3 | 119.2° | 119.9° |
C2 | C3 | O3 | H3 | 117.5° | 120.2° |
C2 | C3 | C4 | C5 | 50.7° | 57.0° |
C2 | C3 | C4 | O4 | 170.7° | 176.9° |
C3 | C2 | C1 | H1 | 160.4° | 177.6° |
C2 | C3 | C4 | H4 | 67.8° | 62.9° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
O2 | S1 | O8 | O9 | 120.4° | 122.9° |
O2 | S1 | O8 | O7 | 119.8° | 114.1° |
O2 | S1 | O9 | O7 | 119.5° | 114.1° |
S1 | O2 | C2 | H2 | 24.5° | 25.1° |
O2 | S1 | O7 | H10 | 119.6° | 180.0° |
C4 | C3 | O3 | H3 | 117.8° | 120.2° |
C3 | C4 | C5 | O4 | 119.6° | 119.9° |
C3 | C4 | C5 | H4 | 118.4° | 119.9° |
C3 | C4 | O4 | H4 | 120.7° | 120.1° |
C3 | C4 | C5 | C6 | 174.2° | 177.6° |
C3 | C4 | C5 | O5 | 64.8° | 57.6° |
C3 | C4 | O4 | S2 | 115.0° | 106.5° |
C4 | C3 | C2 | H2 | 80.5° | 62.9° |
C3 | C4 | C5 | H5 | 53.5° | 62.4° |
C4 | C3 | O3 | HO3 | 55.3° | 179.6° |
O3 | C3 | C4 | C5 | 172.8° | 176.8° |
O3 | C3 | C4 | O4 | 67.2° | 63.3° |
O3 | C3 | C2 | H2 | 41.8° | 56.9° |
O3 | C3 | C4 | H4 | 54.4° | 56.9° |
C5 | C4 | O4 | H4 | 121.2° | 120.2° |
C4 | C5 | C6 | O5 | 121.2° | 120.0° |
C4 | C5 | C6 | H5 | 120.7° | 120.0° |
C4 | C5 | O5 | H5 | 117.7° | 119.9° |
C4 | C5 | C6 | O6 | 141.0° | 175.4° |
C5 | C4 | O4 | S2 | 126.9° | 133.8° |
C5 | C4 | C3 | H3 | 68.4° | 62.9° |
C4 | C5 | C6 | H61 | 20.6° | 55.5° |
C4 | C5 | C6 | H62 | 98.6° | 64.6° |
O4 | C4 | C5 | C6 | 54.6° | 62.5° |
O4 | C4 | C5 | O5 | 175.6° | 177.5° |
C4 | O4 | S2 | O09 | 62.5° | 39.9° |
C4 | O4 | S2 | O08 | 177.9° | 172.9° |
C4 | O4 | S2 | O07 | 58.0° | 73.6° |
O4 | C4 | C3 | H3 | 51.5° | 57.0° |
O4 | C4 | C5 | H5 | 66.0° | 57.5° |
C6 | C5 | O5 | H5 | 117.3° | 120.0° |
C5 | C6 | O6 | H61 | 120.4° | 120.0° |
C5 | C6 | O6 | H62 | 120.4° | 120.0° |
C6 | C5 | C4 | H4 | 67.4° | 57.7° |
C5 | C6 | H61 | H62 | 118.8° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O5 | C5 | C6 | O6 | 97.8° | 64.6° |
C5 | O5 | C1 | H1 | 175.3° | 178.8° |
O5 | C5 | C4 | H4 | 53.6° | 62.3° |
O5 | C5 | C6 | H61 | 141.8° | 175.5° |
O5 | C5 | C6 | H62 | 22.6° | 55.4° |
O6 | C6 | C5 | H5 | 20.3° | 55.5° |
O6 | C6 | H61 | H62 | 118.8° | 120.0° |
O4 | S2 | O09 | O08 | 120.0° | 123.0° |
O4 | S2 | O09 | O07 | 120.5° | 114.1° |
O4 | S2 | O08 | O07 | 120.3° | 114.1° |
S2 | O4 | C4 | H4 | 5.7° | 13.6° |
O4 | S2 | O07 | H11 | 120.3° | 180.0° |
O8 | S1 | O9 | O7 | 119.8° | 123.0° |
O8 | S1 | O7 | H10 | 120.2° | 66.5° |
O9 | S1 | O7 | H10 | 0.0° | 66.5° |
O09 | S2 | O08 | O07 | 119.7° | 122.9° |
O09 | S2 | O07 | H11 | 119.3° | 66.5° |
O08 | S2 | O07 | H11 | 0.0° | 66.4° |
H1 | C1 | O1 | HO1 | 60.3° | 60.0° |
H1 | C1 | C2 | H2 | 40.2° | 57.7° |
H2 | C2 | C3 | H3 | 160.3° | 177.2° |
H3 | C3 | C4 | H4 | 173.1° | 177.2° |
H3 | C3 | O3 | HO3 | 62.5° | 60.2° |
H4 | C4 | C5 | H5 | 171.9° | 177.7° |
H5 | C5 | C6 | H61 | 100.2° | 64.5° |
H5 | C5 | C6 | H62 | 140.7° | 175.5° |
H61 | C6 | O6 | HO6 | 59.6° | 60.0° |
H62 | C6 | O6 | HO6 | 59.6° | 60.0° |