GU9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C4 | C5 | sing | 1.54Å | 1.52Å | |
C4 | C3 | sing | 1.53Å | 1.52Å | |
C4 | O4 | sing | 1.43Å | 58.25Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C5 | H5 | sing | 1.10Å | 1.12Å | |
O5 | C1 | sing | 1.43Å | 1.44Å | |
C6 | O6 | sing | 1.42Å | 1.44Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
O6 | C9 | sing | 1.42Å | 1.43Å | |
C9 | H91 | sing | 1.09Å | 1.11Å | |
C9 | H92 | sing | 1.09Å | 1.12Å | |
C9 | H93 | sing | 1.09Å | 1.11Å | |
C3 | O3 | sing | 1.42Å | 1.44Å | |
C3 | C2 | 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 | 1.11Å | |
C8 | H83 | sing | 1.09Å | 1.12Å | |
C2 | O2 | sing | 1.43Å | 1.44Å | |
C2 | C1 | sing | 1.53Å | 1.52Å | |
C2 | H2 | sing | 1.10Å | 1.11Å | |
O2 | C7 | sing | 1.42Å | 1.43Å | |
C7 | H71 | sing | 1.09Å | 1.11Å | |
C7 | H72 | sing | 1.09Å | 1.12Å | |
C7 | H73 | sing | 1.09Å | 1.11Å | |
C1 | O1 | sing | 1.43Å | 1.44Å | |
C1 | H1 | sing | 1.09Å | 1.12Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C5 | C4 | C3 | 109.8° | 113.5° |
C5 | C4 | O4 | 82.4° | 108.3° |
C5 | C4 | H4 | 117.5° | 109.7° |
C4 | C5 | O5 | 111.7° | 111.7° |
C4 | C5 | C6 | 110.1° | 113.7° |
C4 | C5 | H5 | 107.5° | 108.1° |
C3 | C4 | O4 | 79.8° | 107.6° |
C3 | C4 | H4 | 119.3° | 110.5° |
C4 | C3 | O3 | 113.1° | 110.0° |
C4 | C3 | C2 | 110.9° | 111.9° |
C4 | C3 | H3 | 106.4° | 109.4° |
O4 | C4 | H4 | 139.7° | 107.0° |
C4 | O4 | HO4 | 82.4° | 106.5° |
O5 | C5 | C6 | 109.3° | 111.2° |
O5 | C5 | H5 | 108.2° | 105.1° |
C5 | O5 | C1 | 112.4° | 114.9° |
C6 | C5 | H5 | 109.9° | 106.6° |
C5 | C6 | O6 | 109.9° | 108.6° |
C5 | C6 | H61 | 112.1° | 109.9° |
C5 | C6 | H62 | 112.1° | 109.9° |
O5 | C1 | C2 | 108.6° | 110.6° |
O5 | C1 | O1 | 110.5° | 110.4° |
O5 | C1 | H1 | 110.0° | 109.3° |
O6 | C6 | H61 | 112.1° | 109.4° |
O6 | C6 | H62 | 112.1° | 109.3° |
C6 | O6 | C9 | 109.5° | 111.7° |
H61 | C6 | H62 | 98.3° | 109.8° |
O6 | C9 | H91 | 109.6° | 109.5° |
O6 | C9 | H92 | 112.1° | 109.5° |
O6 | C9 | H93 | 112.2° | 109.0° |
H91 | C9 | H92 | 112.2° | 110.1° |
H91 | C9 | H93 | 112.2° | 109.4° |
H92 | C9 | H93 | 98.3° | 109.4° |
O3 | C3 | C2 | 110.8° | 108.5° |
O3 | C3 | H3 | 106.5° | 107.7° |
C3 | O3 | C8 | 113.9° | 111.2° |
C2 | C3 | H3 | 108.9° | 109.3° |
C3 | C2 | O2 | 109.0° | 109.5° |
C3 | C2 | C1 | 108.2° | 111.3° |
C3 | C2 | H2 | 111.2° | 110.6° |
O3 | C8 | H81 | 113.9° | 109.6° |
O3 | C8 | H82 | 110.6° | 109.6° |
O3 | C8 | H83 | 110.6° | 109.0° |
H81 | C8 | H82 | 110.7° | 110.0° |
H81 | C8 | H83 | 110.6° | 109.3° |
H82 | C8 | H83 | 99.7° | 109.3° |
O2 | C2 | C1 | 111.2° | 109.6° |
O2 | C2 | H2 | 108.3° | 106.7° |
C2 | O2 | C7 | 110.4° | 111.5° |
C1 | C2 | H2 | 109.0° | 109.1° |
C2 | C1 | O1 | 111.4° | 108.4° |
C2 | C1 | H1 | 109.2° | 111.0° |
O2 | C7 | H71 | 110.3° | 109.5° |
O2 | C7 | H72 | 111.8° | 109.5° |
O2 | C7 | H73 | 111.9° | 109.0° |
H71 | C7 | H72 | 111.8° | 110.1° |
H71 | C7 | H73 | 112.0° | 109.4° |
H72 | C7 | H73 | 98.5° | 109.3° |
O1 | C1 | H1 | 107.1° | 107.0° |
C1 | O1 | HO1 | 110.6° | 106.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C5 | C4 | C3 | O4 | 78.1° | 119.8° |
C5 | C4 | C3 | H4 | 139.9° | 123.7° |
C5 | C4 | O4 | H4 | 124.3° | 118.2° |
C4 | C5 | O5 | C6 | 122.1° | 128.2° |
C4 | C5 | O5 | H5 | 118.2° | 117.0° |
C4 | C5 | C6 | H5 | 118.2° | 119.0° |
C4 | C5 | O5 | C1 | 59.4° | 55.9° |
C4 | C5 | C6 | O6 | 63.2° | 179.6° |
C4 | C5 | C6 | H61 | 171.5° | 60.0° |
C4 | C5 | C6 | H62 | 62.1° | 60.9° |
C5 | C4 | C3 | O3 | 177.6° | 76.6° |
C5 | C4 | C3 | C2 | 52.4° | 44.1° |
C5 | C4 | C3 | H3 | 65.8° | 165.3° |
C5 | C4 | O4 | HO4 | 180.0° | 87.1° |
C3 | C4 | O4 | H4 | 123.8° | 118.8° |
C3 | C4 | C5 | O5 | 52.2° | 46.5° |
C3 | C4 | C5 | C6 | 173.9° | 80.3° |
C3 | C4 | C5 | H5 | 66.4° | 161.6° |
C4 | C3 | O3 | C2 | 125.2° | 122.7° |
C4 | C3 | O3 | H3 | 116.5° | 119.2° |
C4 | C3 | C2 | H3 | 116.7° | 121.3° |
C4 | C3 | O3 | C8 | 62.6° | 60.0° |
C4 | C3 | C2 | O2 | 178.3° | 73.1° |
C4 | C3 | C2 | C1 | 57.3° | 48.2° |
C4 | C3 | C2 | H2 | 62.4° | 169.6° |
C3 | C4 | O4 | HO4 | 68.2° | 149.8° |
O4 | C4 | C5 | O5 | 128.5° | 72.9° |
O4 | C4 | C5 | C6 | 109.8° | 160.3° |
O4 | C4 | C5 | H5 | 9.9° | 42.2° |
O4 | C4 | C3 | O3 | 104.3° | 163.6° |
O4 | C4 | C3 | C2 | 130.5° | 75.8° |
O4 | C4 | C3 | H3 | 12.2° | 45.5° |
H4 | C4 | C5 | O5 | 88.5° | 170.7° |
H4 | C4 | C5 | C6 | 33.2° | 43.9° |
H4 | C4 | C5 | H5 | 152.9° | 74.2° |
H4 | C4 | C3 | O3 | 37.7° | 47.1° |
H4 | C4 | C3 | C2 | 87.5° | 167.7° |
H4 | C4 | C3 | H3 | 154.2° | 71.0° |
H4 | C4 | O4 | HO4 | 55.6° | 31.1° |
O5 | C5 | C6 | H5 | 118.7° | 113.9° |
O5 | C5 | C6 | O6 | 59.8° | 52.5° |
O5 | C5 | C6 | H61 | 65.4° | 67.0° |
O5 | C5 | C6 | H62 | 174.9° | 172.0° |
C5 | O5 | C1 | C2 | 63.8° | 60.9° |
C5 | O5 | C1 | O1 | 58.6° | 179.1° |
C5 | O5 | C1 | H1 | 176.8° | 61.6° |
C6 | C5 | O5 | C1 | 178.5° | 72.2° |
C5 | C6 | O6 | H61 | 125.3° | 119.9° |
C5 | C6 | O6 | H62 | 125.3° | 119.9° |
C5 | C6 | H61 | H62 | 118.0° | 121.0° |
C5 | C6 | O6 | C9 | 178.4° | 180.0° |
H5 | C5 | O5 | C1 | 58.8° | 172.9° |
H5 | C5 | C6 | O6 | 178.5° | 61.4° |
H5 | C5 | C6 | H61 | 53.3° | 179.0° |
H5 | C5 | C6 | H62 | 56.2° | 58.1° |
O5 | C1 | C2 | C3 | 61.7° | 55.7° |
O5 | C1 | C2 | O2 | 178.7° | 65.5° |
O5 | C1 | C2 | O1 | 121.9° | 121.1° |
O5 | C1 | C2 | H1 | 119.9° | 121.5° |
O5 | C1 | C2 | H2 | 59.4° | 178.0° |
O5 | C1 | O1 | H1 | 119.8° | 118.9° |
O5 | C1 | O1 | HO1 | 180.0° | 0.3° |
O6 | C6 | H61 | H62 | 118.0° | 119.9° |
C6 | O6 | C9 | H91 | 180.0° | 14.5° |
C6 | O6 | C9 | H92 | 54.7° | 106.3° |
C6 | O6 | C9 | H93 | 54.7° | 134.1° |
H61 | C6 | O6 | C9 | 56.3° | 60.1° |
H62 | C6 | O6 | C9 | 53.1° | 60.1° |
O6 | C9 | H91 | H92 | 125.2° | 120.4° |
O6 | C9 | H91 | H93 | 125.3° | 119.4° |
O6 | C9 | H92 | H93 | 118.1° | 119.3° |
H91 | C9 | H92 | H93 | 118.1° | 120.2° |
O3 | C3 | C2 | H3 | 116.8° | 117.1° |
C3 | O3 | C8 | H81 | 180.0° | 41.8° |
C3 | O3 | C8 | H82 | 54.7° | 79.0° |
C3 | O3 | C8 | H83 | 54.8° | 161.4° |
O3 | C3 | C2 | O2 | 55.2° | 165.3° |
O3 | C3 | C2 | C1 | 176.2° | 73.4° |
O3 | C3 | C2 | H2 | 64.1° | 48.1° |
C2 | C3 | O3 | C8 | 62.6° | 177.3° |
C3 | C2 | O2 | C1 | 119.1° | 122.3° |
C3 | C2 | O2 | H2 | 121.1° | 119.7° |
C3 | C2 | C1 | H2 | 121.1° | 122.3° |
C3 | C2 | O2 | C7 | 153.8° | 60.0° |
C3 | C2 | C1 | O1 | 60.3° | 176.8° |
C3 | C2 | C1 | H1 | 178.4° | 65.9° |
H3 | C3 | O3 | C8 | 179.1° | 59.2° |
H3 | C3 | C2 | O2 | 61.6° | 48.2° |
H3 | C3 | C2 | C1 | 59.4° | 169.5° |
H3 | C3 | C2 | H2 | 179.1° | 69.0° |
O3 | C8 | H81 | H82 | 125.3° | 120.5° |
O3 | C8 | H81 | H83 | 125.2° | 119.4° |
O3 | C8 | H82 | H83 | 116.4° | 119.4° |
H81 | C8 | H82 | H83 | 116.5° | 120.1° |
O2 | C2 | C1 | H2 | 119.3° | 116.5° |
C2 | O2 | C7 | H71 | 179.9° | 105.2° |
C2 | O2 | C7 | H72 | 54.8° | 15.6° |
C2 | O2 | C7 | H73 | 54.7° | 135.1° |
O2 | C2 | C1 | O1 | 59.3° | 55.6° |
O2 | C2 | C1 | H1 | 58.8° | 172.9° |
C1 | C2 | O2 | C7 | 87.0° | 177.7° |
C2 | C1 | O1 | H1 | 119.4° | 119.9° |
C2 | C1 | O1 | HO1 | 59.2° | 121.0° |
H2 | C2 | O2 | C7 | 32.7° | 59.7° |
H2 | C2 | C1 | O1 | 178.6° | 60.8° |
H2 | C2 | C1 | H1 | 60.5° | 56.5° |
O2 | C7 | H71 | H72 | 125.2° | 120.4° |
O2 | C7 | H71 | H73 | 125.3° | 119.4° |
O2 | C7 | H72 | H73 | 117.8° | 119.4° |
H71 | C7 | H72 | H73 | 117.9° | 120.2° |
H1 | C1 | O1 | HO1 | 60.1° | 119.2° |