GU8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C9 | O6 | sing | 1.42Å | 1.43Å | |
C9 | H91 | sing | 1.09Å | 1.11Å | |
C9 | H92 | sing | 1.09Å | 1.12Å | |
C9 | H93 | sing | 1.09Å | 1.12Å | |
O6 | C6 | sing | 1.42Å | 1.44Å | |
C6 | C5 | sing | 1.53Å | 1.52Å | |
C6 | H61 | sing | 1.09Å | 1.11Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C5 | C4 | sing | 1.53Å | 1.52Å | |
C5 | H5 | sing | 1.10Å | 1.12Å | |
O5 | C1 | sing | 1.43Å | 1.44Å | |
C1 | O1 | sing | 1.43Å | 1.43Å | |
C1 | C2 | sing | 1.53Å | 1.52Å | |
C1 | H1 | sing | 1.10Å | 1.12Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | O2 | sing | 1.43Å | 1.44Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | H2 | sing | 1.10Å | 1.11Å | |
O2 | C7 | sing | 1.42Å | 1.43Å | |
C7 | H71 | sing | 1.09Å | 1.12Å | |
C7 | H72 | sing | 1.09Å | 1.12Å | |
C7 | H73 | sing | 1.09Å | 1.11Å | |
C3 | O3 | sing | 1.43Å | 1.44Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C3 | H3 | sing | 1.10Å | 1.12Å | |
O3 | C8 | sing | 1.42Å | 1.43Å | |
C8 | H81 | sing | 1.09Å | 1.11Å | |
C8 | H82 | sing | 1.09Å | 1.12Å | |
C8 | H83 | sing | 1.09Å | 1.11Å | |
C4 | O4 | sing | 1.43Å | 61.00Å | |
C4 | H4 | sing | 1.10Å | 1.11Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O6 | C9 | H91 | 110.0° | 109.5° |
O6 | C9 | H92 | 112.0° | 109.5° |
O6 | C9 | H93 | 112.0° | 109.0° |
C9 | O6 | C6 | 110.0° | 111.7° |
H91 | C9 | H92 | 112.0° | 110.0° |
H91 | C9 | H93 | 112.0° | 109.4° |
H92 | C9 | H93 | 98.4° | 109.4° |
O6 | C6 | C5 | 109.9° | 108.5° |
O6 | C6 | H61 | 112.1° | 109.3° |
O6 | C6 | H62 | 112.1° | 109.4° |
C5 | C6 | H61 | 112.1° | 109.9° |
C5 | C6 | H62 | 112.0° | 110.0° |
C6 | C5 | O5 | 108.4° | 107.6° |
C6 | C5 | C4 | 111.9° | 111.7° |
C6 | C5 | H5 | 108.9° | 107.6° |
H61 | C6 | H62 | 98.3° | 109.7° |
O5 | C5 | C4 | 110.4° | 109.9° |
O5 | C5 | H5 | 110.4° | 109.3° |
C5 | O5 | C1 | 111.0° | 112.6° |
C4 | C5 | H5 | 106.8° | 110.5° |
C5 | C4 | C3 | 109.7° | 110.7° |
C5 | C4 | O4 | 76.8° | 109.3° |
C5 | C4 | H4 | 117.6° | 110.2° |
O5 | C1 | O1 | 110.1° | 109.8° |
O5 | C1 | C2 | 109.4° | 110.5° |
O5 | C1 | H1 | 109.8° | 110.1° |
O1 | C1 | C2 | 111.4° | 107.8° |
O1 | C1 | H1 | 107.6° | 107.4° |
C1 | O1 | HO1 | 110.1° | 106.4° |
C2 | C1 | H1 | 108.4° | 111.1° |
C1 | C2 | O2 | 111.0° | 109.6° |
C1 | C2 | C3 | 105.6° | 111.3° |
C1 | C2 | H2 | 111.3° | 110.2° |
O2 | C2 | C3 | 110.2° | 109.2° |
O2 | C2 | H2 | 106.7° | 106.4° |
C2 | O2 | C7 | 111.2° | 111.3° |
C3 | C2 | H2 | 112.1° | 110.0° |
C2 | C3 | O3 | 111.1° | 109.4° |
C2 | C3 | C4 | 113.1° | 111.2° |
C2 | C3 | H3 | 106.3° | 110.6° |
O2 | C7 | H71 | 111.2° | 109.5° |
O2 | C7 | H72 | 111.5° | 109.5° |
O2 | C7 | H73 | 111.6° | 109.0° |
H71 | C7 | H72 | 111.6° | 110.1° |
H71 | C7 | H73 | 111.6° | 109.4° |
H72 | C7 | H73 | 98.8° | 109.3° |
O3 | C3 | C4 | 111.2° | 109.3° |
O3 | C3 | H3 | 108.5° | 105.8° |
C3 | O3 | C8 | 113.4° | 111.3° |
C4 | C3 | H3 | 106.2° | 110.3° |
C3 | C4 | O4 | 63.2° | 109.3° |
C3 | C4 | H4 | 125.5° | 109.6° |
O3 | C8 | H81 | 113.3° | 109.5° |
O3 | C8 | H82 | 110.7° | 109.5° |
O3 | C8 | H83 | 110.7° | 109.0° |
H81 | C8 | H82 | 110.8° | 110.1° |
H81 | C8 | H83 | 110.9° | 109.3° |
H82 | C8 | H83 | 99.5° | 109.4° |
O4 | C4 | H4 | 151.0° | 107.6° |
C4 | O4 | HO4 | 76.8° | 106.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O6 | C9 | H91 | H92 | 125.3° | 120.4° |
O6 | C9 | H91 | H93 | 125.3° | 119.4° |
O6 | C9 | H92 | H93 | 117.9° | 119.4° |
C9 | O6 | C6 | C5 | 158.8° | 180.0° |
C9 | O6 | C6 | H61 | 75.9° | 60.1° |
C9 | O6 | C6 | H62 | 33.6° | 60.0° |
H91 | C9 | H92 | H93 | 117.9° | 120.2° |
H91 | C9 | O6 | C6 | 180.0° | 94.6° |
H92 | C9 | O6 | C6 | 54.7° | 144.7° |
H93 | C9 | O6 | C6 | 54.7° | 25.1° |
O6 | C6 | C5 | H61 | 125.3° | 119.5° |
O6 | C6 | C5 | H62 | 125.3° | 119.6° |
O6 | C6 | H61 | H62 | 118.0° | 119.9° |
O6 | C6 | C5 | O5 | 58.8° | 58.8° |
O6 | C6 | C5 | C4 | 63.2° | 179.5° |
O6 | C6 | C5 | H5 | 178.9° | 59.0° |
C5 | C6 | H61 | H62 | 117.9° | 121.1° |
C6 | C5 | O5 | C4 | 122.9° | 121.9° |
C6 | C5 | O5 | H5 | 119.2° | 116.6° |
C6 | C5 | C4 | H5 | 119.1° | 119.8° |
C6 | C5 | O5 | C1 | 175.4° | 174.9° |
C6 | C5 | C4 | C3 | 172.7° | 175.3° |
C6 | C5 | C4 | O4 | 132.4° | 64.3° |
C6 | C5 | C4 | H4 | 20.6° | 53.8° |
H61 | C6 | C5 | O5 | 175.9° | 60.7° |
H61 | C6 | C5 | C4 | 62.1° | 60.0° |
H61 | C6 | C5 | H5 | 55.8° | 178.4° |
H62 | C6 | C5 | O5 | 66.5° | 178.4° |
H62 | C6 | C5 | C4 | 171.5° | 60.9° |
H62 | C6 | C5 | H5 | 53.6° | 60.6° |
O5 | C5 | C4 | H5 | 120.1° | 120.8° |
C5 | O5 | C1 | O1 | 168.9° | 179.0° |
C5 | O5 | C1 | C2 | 68.3° | 62.2° |
C5 | O5 | C1 | H1 | 50.6° | 60.9° |
O5 | C5 | C4 | C3 | 51.9° | 55.9° |
O5 | C5 | C4 | O4 | 106.7° | 176.3° |
O5 | C5 | C4 | H4 | 100.2° | 65.6° |
C4 | C5 | O5 | C1 | 61.7° | 63.2° |
C5 | C4 | C3 | C2 | 51.3° | 49.5° |
C5 | C4 | C3 | O3 | 177.2° | 170.4° |
C5 | C4 | C3 | O4 | 63.1° | 120.5° |
C5 | C4 | C3 | H4 | 149.4° | 121.9° |
C5 | C4 | C3 | H3 | 64.9° | 73.6° |
C5 | C4 | O4 | H4 | 124.0° | 119.7° |
C5 | C4 | O4 | HO4 | 180.0° | 0.8° |
H5 | C5 | O5 | C1 | 56.2° | 58.3° |
H5 | C5 | C4 | C3 | 68.2° | 64.9° |
H5 | C5 | C4 | O4 | 13.3° | 55.5° |
H5 | C5 | C4 | H4 | 139.7° | 173.6° |
O5 | C1 | O1 | C2 | 121.6° | 120.5° |
O5 | C1 | O1 | H1 | 119.7° | 119.8° |
O5 | C1 | C2 | H1 | 119.7° | 122.5° |
O5 | C1 | O1 | HO1 | 180.0° | 141.3° |
O5 | C1 | C2 | O2 | 178.0° | 174.8° |
O5 | C1 | C2 | C3 | 62.6° | 53.8° |
O5 | C1 | C2 | H2 | 59.3° | 68.5° |
O1 | C1 | C2 | H1 | 118.3° | 117.4° |
O1 | C1 | C2 | O2 | 56.0° | 65.1° |
O1 | C1 | C2 | C3 | 175.5° | 173.9° |
O1 | C1 | C2 | H2 | 62.7° | 51.6° |
C2 | C1 | O1 | HO1 | 58.5° | 20.9° |
C1 | C2 | O2 | C3 | 116.6° | 122.2° |
C1 | C2 | O2 | H2 | 121.4° | 119.1° |
C1 | C2 | C3 | H2 | 121.3° | 122.4° |
C1 | C2 | O2 | C7 | 82.9° | 62.2° |
C1 | C2 | C3 | O3 | 178.5° | 169.4° |
C1 | C2 | C3 | C4 | 55.6° | 48.6° |
C1 | C2 | C3 | H3 | 60.6° | 74.4° |
H1 | C1 | O1 | HO1 | 60.3° | 98.9° |
H1 | C1 | C2 | O2 | 62.3° | 52.3° |
H1 | C1 | C2 | C3 | 57.2° | 68.7° |
H1 | C1 | C2 | H2 | 179.0° | 169.0° |
O2 | C2 | C3 | H2 | 118.7° | 116.4° |
C2 | O2 | C7 | H71 | 180.0° | 4.5° |
C2 | O2 | C7 | H72 | 54.8° | 116.2° |
C2 | O2 | C7 | H73 | 54.7° | 124.2° |
O2 | C2 | C3 | O3 | 58.5° | 69.4° |
O2 | C2 | C3 | C4 | 175.6° | 169.8° |
O2 | C2 | C3 | H3 | 59.4° | 46.8° |
C3 | C2 | O2 | C7 | 160.4° | 60.1° |
C2 | C3 | O3 | C4 | 127.0° | 122.0° |
C2 | C3 | O3 | H3 | 116.6° | 119.2° |
C2 | C3 | C4 | H3 | 116.3° | 123.1° |
C2 | C3 | O3 | C8 | 61.4° | 178.0° |
C2 | C3 | C4 | O4 | 114.4° | 170.1° |
C2 | C3 | C4 | H4 | 98.1° | 72.3° |
H2 | C2 | O2 | C7 | 38.5° | 178.7° |
H2 | C2 | C3 | O3 | 60.3° | 47.0° |
H2 | C2 | C3 | C4 | 65.7° | 73.8° |
H2 | C2 | C3 | H3 | 178.1° | 163.2° |
O2 | C7 | H71 | H72 | 125.2° | 120.4° |
O2 | C7 | H71 | H73 | 125.3° | 119.4° |
O2 | C7 | H72 | H73 | 117.5° | 119.4° |
H71 | C7 | H72 | H73 | 117.5° | 120.1° |
O3 | C3 | C4 | H3 | 117.9° | 116.0° |
C3 | O3 | C8 | H81 | 180.0° | 58.8° |
C3 | O3 | C8 | H82 | 54.7° | 62.0° |
C3 | O3 | C8 | H83 | 54.7° | 178.4° |
O3 | C3 | C4 | O4 | 119.7° | 69.1° |
O3 | C3 | C4 | H4 | 27.8° | 48.6° |
C4 | C3 | O3 | C8 | 65.6° | 60.0° |
C3 | C4 | O4 | H4 | 115.5° | 118.9° |
C3 | C4 | O4 | HO4 | 59.5° | 122.2° |
H3 | C3 | O3 | C8 | 177.9° | 58.8° |
H3 | C3 | C4 | O4 | 1.9° | 46.9° |
H3 | C3 | C4 | H4 | 145.7° | 164.6° |
O3 | C8 | H81 | H82 | 125.2° | 120.5° |
O3 | C8 | H81 | H83 | 125.3° | 119.4° |
O3 | C8 | H82 | H83 | 116.6° | 119.4° |
H81 | C8 | H82 | H83 | 116.8° | 120.2° |
H4 | C4 | O4 | HO4 | 56.0° | 118.9° |