U9G
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O4 | C4 | sing | 1.43Å | 1.60Å | |
C4 | C5 | sing | 1.53Å | 1.58Å | |
C4 | C3 | sing | 1.53Å | 1.64Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | O5 | sing | 1.43Å | 1.49Å | |
C5 | C6 | sing | 1.53Å | 1.51Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
O5 | C1 | sing | 1.43Å | 1.44Å | |
C6 | O6 | sing | 1.43Å | 1.40Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O6 | S37 | sing | 1.52Å | 1.54Å | |
S37 | O38 | sing | 1.52Å | 1.42Å | |
S37 | O39 | doub | 1.42Å | 1.43Å | |
S37 | O3A | doub | 1.42Å | 1.38Å | |
O38 | H38 | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.46Å | |
C3 | C2 | sing | 1.53Å | 1.67Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | C3D | sing | 1.43Å | 1.45Å | |
C3D | H3D1 | sing | 1.09Å | 1.10Å | |
C3D | H3D2 | sing | 1.09Å | 1.10Å | |
C3D | H3D3 | sing | 1.09Å | 1.10Å | |
C2 | O2 | sing | 1.43Å | 1.45Å | |
C2 | C1 | sing | 1.53Å | 1.58Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | C3G | sing | 1.43Å | 1.65Å | |
C3G | H3G1 | sing | 1.09Å | 1.10Å | |
C3G | H3G2 | sing | 1.09Å | 1.10Å | |
C3G | H3G3 | sing | 1.09Å | 1.10Å | |
C1 | O1 | sing | 1.43Å | 1.49Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O4 | C4 | C5 | 106.9° | 109.5° |
O4 | C4 | C3 | 116.7° | 109.5° |
O4 | C4 | H4 | 109.0° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C5 | C4 | C3 | 106.4° | 109.2° |
C5 | C4 | H4 | 109.2° | 109.5° |
C4 | C5 | O5 | 108.5° | 109.4° |
C4 | C5 | C6 | 105.0° | 109.5° |
C4 | C5 | H5 | 109.0° | 109.5° |
C3 | C4 | H4 | 108.5° | 109.6° |
C4 | C3 | O3 | 107.7° | 109.6° |
C4 | C3 | C2 | 108.1° | 109.0° |
C4 | C3 | H3 | 108.6° | 109.6° |
O5 | C5 | C6 | 114.1° | 109.5° |
O5 | C5 | H5 | 110.1° | 109.5° |
C5 | O5 | C1 | 121.3° | 114.1° |
C6 | C5 | H5 | 109.9° | 109.5° |
C5 | C6 | O6 | 103.6° | 109.5° |
C5 | C6 | H61 | 111.0° | 109.5° |
C5 | C6 | H62 | 110.9° | 109.4° |
O5 | C1 | C2 | 105.9° | 109.4° |
O5 | C1 | O1 | 110.5° | 109.5° |
O5 | C1 | H1 | 111.4° | 109.5° |
O6 | C6 | H61 | 110.9° | 109.5° |
O6 | C6 | H62 | 110.9° | 109.4° |
C6 | O6 | S37 | 122.4° | 114.0° |
H61 | C6 | H62 | 109.5° | 109.5° |
O6 | S37 | O38 | 99.9° | 107.2° |
O6 | S37 | O39 | 108.8° | 106.4° |
O6 | S37 | O3A | 105.0° | 106.4° |
O38 | S37 | O39 | 112.9° | 106.4° |
O38 | S37 | O3A | 112.4° | 106.4° |
S37 | O38 | H38 | 109.5° | 114.0° |
O39 | S37 | O3A | 116.2° | 123.1° |
O3 | C3 | C2 | 113.0° | 109.5° |
O3 | C3 | H3 | 111.1° | 109.5° |
C3 | O3 | C3D | 121.2° | 114.0° |
C2 | C3 | H3 | 108.2° | 109.6° |
C3 | C2 | O2 | 116.2° | 109.6° |
C3 | C2 | C1 | 109.7° | 109.1° |
C3 | C2 | H2 | 106.6° | 109.5° |
O3 | C3D | H3D1 | 109.5° | 109.5° |
O3 | C3D | H3D2 | 109.5° | 109.5° |
O3 | C3D | H3D3 | 109.5° | 109.4° |
H3D1 | C3D | H3D2 | 109.4° | 109.5° |
H3D1 | C3D | H3D3 | 109.5° | 109.5° |
H3D2 | C3D | H3D3 | 109.5° | 109.5° |
O2 | C2 | C1 | 107.2° | 109.5° |
O2 | C2 | H2 | 109.2° | 109.5° |
C2 | O2 | C3G | 118.5° | 114.0° |
C1 | C2 | H2 | 107.6° | 109.6° |
C2 | C1 | O1 | 108.7° | 109.5° |
C2 | C1 | H1 | 109.5° | 109.5° |
O2 | C3G | H3G1 | 109.5° | 109.5° |
O2 | C3G | H3G2 | 109.5° | 109.5° |
O2 | C3G | H3G3 | 109.5° | 109.5° |
H3G1 | C3G | H3G2 | 109.5° | 109.5° |
H3G1 | C3G | H3G3 | 109.5° | 109.5° |
H3G2 | C3G | H3G3 | 109.5° | 109.4° |
O1 | C1 | H1 | 110.7° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4 | C4 | C5 | C3 | 125.4° | 119.9° |
O4 | C4 | C5 | H4 | 117.7° | 120.1° |
O4 | C4 | C3 | H4 | 123.5° | 120.1° |
O4 | C4 | C5 | O5 | 178.2° | 177.5° |
O4 | C4 | C5 | C6 | 55.8° | 62.5° |
O4 | C4 | C5 | H5 | 61.9° | 57.5° |
O4 | C4 | C3 | O3 | 60.3° | 63.3° |
O4 | C4 | C3 | C2 | 177.3° | 176.9° |
O4 | C4 | C3 | H3 | 60.1° | 56.9° |
C5 | C4 | C3 | H4 | 117.3° | 120.0° |
C4 | C5 | O5 | C6 | 116.6° | 120.0° |
C4 | C5 | O5 | H5 | 119.2° | 120.0° |
C4 | C5 | C6 | H5 | 117.1° | 120.0° |
C4 | C5 | O5 | C1 | 63.4° | 61.2° |
C4 | C5 | C6 | O6 | 117.5° | 175.0° |
C4 | C5 | C6 | H61 | 123.4° | 55.0° |
C4 | C5 | C6 | H62 | 1.5° | 65.0° |
C5 | C4 | C3 | O3 | 179.4° | 176.8° |
C5 | C4 | C3 | C2 | 58.2° | 57.0° |
C5 | C4 | C3 | H3 | 59.1° | 63.0° |
C5 | C4 | O4 | HO4 | 180.0° | 60.0° |
C3 | C4 | C5 | O5 | 56.4° | 57.6° |
C3 | C4 | C5 | C6 | 178.7° | 177.6° |
C3 | C4 | C5 | H5 | 63.5° | 62.4° |
C4 | C3 | O3 | C2 | 119.3° | 119.6° |
C4 | C3 | O3 | H3 | 118.8° | 120.2° |
C4 | C3 | C2 | H3 | 117.5° | 119.9° |
C4 | C3 | O3 | C3D | 179.4° | 150.0° |
C4 | C3 | C2 | O2 | 179.1° | 176.9° |
C4 | C3 | C2 | C1 | 59.2° | 57.0° |
C4 | C3 | C2 | H2 | 57.0° | 63.0° |
C3 | C4 | O4 | HO4 | 61.1° | 179.7° |
H4 | C4 | C5 | O5 | 60.4° | 62.4° |
H4 | C4 | C5 | C6 | 61.9° | 57.6° |
H4 | C4 | C5 | H5 | 179.6° | 177.6° |
H4 | C4 | C3 | O3 | 63.2° | 56.9° |
H4 | C4 | C3 | C2 | 59.2° | 63.0° |
H4 | C4 | C3 | H3 | 176.4° | 177.1° |
H4 | C4 | O4 | HO4 | 62.1° | 60.1° |
O5 | C5 | C6 | H5 | 124.3° | 120.1° |
O5 | C5 | C6 | O6 | 1.1° | 65.0° |
O5 | C5 | C6 | H61 | 118.0° | 174.9° |
O5 | C5 | C6 | H62 | 120.2° | 54.9° |
C5 | O5 | C1 | C2 | 61.2° | 61.2° |
C5 | O5 | C1 | O1 | 56.4° | 58.8° |
C5 | O5 | C1 | H1 | 179.9° | 178.8° |
C6 | C5 | O5 | C1 | 180.0° | 178.8° |
C5 | C6 | O6 | H61 | 119.1° | 120.1° |
C5 | C6 | O6 | H62 | 119.0° | 119.9° |
C5 | C6 | H61 | H62 | 122.7° | 120.0° |
C5 | C6 | O6 | S37 | 179.1° | 180.0° |
H5 | C5 | O5 | C1 | 55.8° | 58.8° |
H5 | C5 | C6 | O6 | 125.4° | 55.0° |
H5 | C5 | C6 | H61 | 6.3° | 65.0° |
H5 | C5 | C6 | H62 | 115.6° | 175.0° |
O5 | C1 | C2 | C3 | 55.4° | 57.6° |
O5 | C1 | C2 | O2 | 177.7° | 177.6° |
O5 | C1 | C2 | O1 | 118.8° | 120.0° |
O5 | C1 | C2 | H1 | 120.2° | 119.9° |
O5 | C1 | C2 | H2 | 60.2° | 62.3° |
O5 | C1 | O1 | H1 | 124.0° | 120.1° |
O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
O6 | C6 | H61 | H62 | 122.7° | 120.0° |
C6 | O6 | S37 | O38 | 118.2° | 75.0° |
C6 | O6 | S37 | O39 | 0.3° | 171.4° |
C6 | O6 | S37 | O3A | 125.3° | 38.5° |
H61 | C6 | O6 | S37 | 61.8° | 59.9° |
H62 | C6 | O6 | S37 | 60.1° | 60.0° |
O6 | S37 | O38 | O39 | 115.4° | 113.5° |
O6 | S37 | O38 | O3A | 110.9° | 113.6° |
O6 | S37 | O39 | O3A | 118.2° | 122.9° |
O6 | S37 | O38 | H38 | 110.9° | 180.0° |
O38 | S37 | O39 | O3A | 131.9° | 123.0° |
O39 | S37 | O38 | H38 | 133.7° | 66.4° |
O3A | S37 | O38 | H38 | 0.0° | 66.5° |
O3 | C3 | C2 | H3 | 123.4° | 120.2° |
C3 | O3 | C3D | H3D1 | 180.0° | 60.0° |
C3 | O3 | C3D | H3D2 | 60.0° | 180.0° |
C3 | O3 | C3D | H3D3 | 60.0° | 60.0° |
O3 | C3 | C2 | O2 | 60.0° | 63.2° |
O3 | C3 | C2 | C1 | 178.3° | 176.9° |
O3 | C3 | C2 | H2 | 62.1° | 56.9° |
C2 | C3 | O3 | C3D | 61.3° | 90.4° |
C3 | C2 | O2 | C1 | 123.0° | 119.7° |
C3 | C2 | O2 | H2 | 120.7° | 120.2° |
C3 | C2 | C1 | H2 | 115.6° | 119.9° |
C3 | C2 | O2 | C3G | 52.8° | 150.0° |
C3 | C2 | C1 | O1 | 63.4° | 62.4° |
C3 | C2 | C1 | H1 | 175.6° | 177.6° |
H3 | C3 | O3 | C3D | 60.6° | 29.8° |
H3 | C3 | C2 | O2 | 63.4° | 56.9° |
H3 | C3 | C2 | C1 | 58.3° | 63.0° |
H3 | C3 | C2 | H2 | 174.5° | 177.1° |
O3 | C3D | H3D1 | H3D2 | 120.0° | 120.0° |
O3 | C3D | H3D1 | H3D3 | 120.0° | 120.0° |
O3 | C3D | H3D2 | H3D3 | 120.0° | 119.9° |
H3D1 | C3D | H3D2 | H3D3 | 120.0° | 120.0° |
O2 | C2 | C1 | H2 | 117.4° | 120.1° |
C2 | O2 | C3G | H3G1 | 180.0° | 179.9° |
C2 | O2 | C3G | H3G2 | 60.0° | 60.0° |
C2 | O2 | C3G | H3G3 | 60.0° | 60.0° |
O2 | C2 | C1 | O1 | 63.6° | 57.5° |
O2 | C2 | C1 | H1 | 57.5° | 62.5° |
C1 | C2 | O2 | C3G | 70.2° | 90.3° |
C2 | C1 | O1 | H1 | 120.3° | 120.0° |
C2 | C1 | O1 | HO1 | 64.2° | 179.9° |
H2 | C2 | O2 | C3G | 173.4° | 29.8° |
H2 | C2 | C1 | O1 | 179.0° | 177.6° |
H2 | C2 | C1 | H1 | 60.0° | 57.6° |
O2 | C3G | H3G1 | H3G2 | 120.0° | 120.0° |
O2 | C3G | H3G1 | H3G3 | 120.0° | 120.0° |
O2 | C3G | H3G2 | H3G3 | 120.0° | 120.0° |
H3G1 | C3G | H3G2 | H3G3 | 120.0° | 120.0° |
H1 | C1 | O1 | HO1 | 56.0° | 60.1° |