GU1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.44Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O5 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | C7 | sing | 1.43Å | 1.43Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | C8 | sing | 1.43Å | 1.43Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6B | sing | 1.34Å | 1.23Å | |
| C6 | O6A | doub | 1.21Å | 1.23Å | |
| O6B | HO6B | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | HO1 | 109.5° | 114.1° |
| O1 | C1 | C2 | 107.1° | 109.5° |
| O1 | C1 | O5 | 109.9° | 109.5° |
| O1 | C1 | H1 | 111.3° | 109.4° |
| C2 | C1 | O5 | 111.2° | 109.5° |
| C2 | C1 | H1 | 110.1° | 109.5° |
| C1 | C2 | O2 | 108.0° | 109.6° |
| C1 | C2 | C3 | 108.8° | 109.1° |
| C1 | C2 | H2 | 111.4° | 109.5° |
| O5 | C1 | H1 | 107.2° | 109.5° |
| C1 | O5 | C5 | 113.5° | 114.1° |
| O2 | C2 | C3 | 111.1° | 109.5° |
| O2 | C2 | H2 | 109.1° | 109.6° |
| C2 | O2 | C7 | 110.7° | 114.0° |
| C3 | C2 | H2 | 108.3° | 109.6° |
| C2 | C3 | O3 | 112.0° | 109.5° |
| C2 | C3 | C4 | 110.2° | 109.1° |
| C2 | C3 | H3 | 108.5° | 109.5° |
| O2 | C7 | H71 | 109.5° | 109.5° |
| O2 | C7 | H72 | 109.4° | 109.5° |
| O2 | C7 | H73 | 109.5° | 109.5° |
| H71 | C7 | H72 | 109.5° | 109.5° |
| H71 | C7 | H73 | 109.5° | 109.4° |
| H72 | C7 | H73 | 109.5° | 109.5° |
| O3 | C3 | C4 | 112.9° | 109.5° |
| O3 | C3 | H3 | 105.5° | 109.5° |
| C3 | O3 | C8 | 114.5° | 114.0° |
| C4 | C3 | H3 | 107.5° | 109.7° |
| C3 | C4 | C5 | 107.5° | 109.2° |
| C3 | C4 | O4 | 112.4° | 109.5° |
| C3 | C4 | H4 | 109.2° | 109.6° |
| O3 | C8 | H81 | 109.5° | 109.4° |
| O3 | C8 | H82 | 109.5° | 109.5° |
| O3 | C8 | H83 | 109.5° | 109.5° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| H81 | C8 | H83 | 109.5° | 109.5° |
| H82 | C8 | H83 | 109.5° | 109.5° |
| O5 | C5 | C6 | 109.1° | 109.5° |
| O5 | C5 | C4 | 110.6° | 109.4° |
| O5 | C5 | H5 | 109.0° | 109.4° |
| C6 | C5 | C4 | 109.7° | 109.5° |
| C6 | C5 | H5 | 109.9° | 109.5° |
| C5 | C6 | O6B | 120.0° | 120.0° |
| C5 | C6 | O6A | 120.2° | 120.0° |
| C4 | C5 | H5 | 108.4° | 109.5° |
| C5 | C4 | O4 | 110.5° | 109.5° |
| C5 | C4 | H4 | 111.1° | 109.5° |
| O6B | C6 | O6A | 119.8° | 120.0° |
| C6 | O6B | HO6B | 109.5° | 117.0° |
| O4 | C4 | H4 | 106.2° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O5 | 120.1° | 120.0° |
| O1 | C1 | C2 | H1 | 121.2° | 119.9° |
| O1 | C1 | O5 | H1 | 121.2° | 120.0° |
| O1 | C1 | C2 | O2 | 63.9° | 62.5° |
| O1 | C1 | C2 | C3 | 175.3° | 177.6° |
| O1 | C1 | C2 | H2 | 55.9° | 57.7° |
| O1 | C1 | O5 | C5 | 175.8° | 178.8° |
| HO1 | O1 | C1 | C2 | 180.0° | 179.9° |
| HO1 | O1 | C1 | O5 | 59.1° | 60.1° |
| HO1 | O1 | C1 | H1 | 59.6° | 60.0° |
| C2 | C1 | O5 | H1 | 120.4° | 120.0° |
| C1 | C2 | O2 | C3 | 119.3° | 119.6° |
| C1 | C2 | O2 | H2 | 121.2° | 120.1° |
| C1 | C2 | C3 | H2 | 121.3° | 119.9° |
| C1 | C2 | O2 | C7 | 136.3° | 90.0° |
| C1 | C2 | C3 | O3 | 176.0° | 176.8° |
| C1 | C2 | C3 | C4 | 57.4° | 57.0° |
| C1 | C2 | C3 | H3 | 60.0° | 63.0° |
| C2 | C1 | O5 | C5 | 57.4° | 61.1° |
| O5 | C1 | C2 | O2 | 175.9° | 177.5° |
| O5 | C1 | C2 | C3 | 55.2° | 57.6° |
| O5 | C1 | C2 | H2 | 64.2° | 62.3° |
| C1 | O5 | C5 | C6 | 179.8° | 178.9° |
| C1 | O5 | C5 | C4 | 59.4° | 61.1° |
| C1 | O5 | C5 | H5 | 59.7° | 58.8° |
| H1 | C1 | C2 | O2 | 57.3° | 57.5° |
| H1 | C1 | C2 | C3 | 63.5° | 62.5° |
| H1 | C1 | C2 | H2 | 177.1° | 177.7° |
| H1 | C1 | O5 | C5 | 63.0° | 58.9° |
| O2 | C2 | C3 | H2 | 119.9° | 120.2° |
| C2 | O2 | C7 | H71 | 180.0° | 180.0° |
| C2 | O2 | C7 | H72 | 60.0° | 60.0° |
| C2 | O2 | C7 | H73 | 60.0° | 60.0° |
| O2 | C2 | C3 | O3 | 57.2° | 63.3° |
| O2 | C2 | C3 | C4 | 176.3° | 176.9° |
| O2 | C2 | C3 | H3 | 58.9° | 56.9° |
| C3 | C2 | O2 | C7 | 104.4° | 150.3° |
| C2 | C3 | O3 | C4 | 125.1° | 119.5° |
| C2 | C3 | O3 | H3 | 117.8° | 120.1° |
| C2 | C3 | C4 | H3 | 118.0° | 119.9° |
| C2 | C3 | O3 | C8 | 55.5° | 149.9° |
| C2 | C3 | C4 | C5 | 58.9° | 57.0° |
| C2 | C3 | C4 | O4 | 179.3° | 176.9° |
| C2 | C3 | C4 | H4 | 61.8° | 62.9° |
| H2 | C2 | O2 | C7 | 15.0° | 30.1° |
| H2 | C2 | C3 | O3 | 62.7° | 57.0° |
| H2 | C2 | C3 | C4 | 63.9° | 62.9° |
| H2 | C2 | C3 | H3 | 178.7° | 177.1° |
| O2 | C7 | H71 | H72 | 120.0° | 120.0° |
| O2 | C7 | H71 | H73 | 120.0° | 120.0° |
| O2 | C7 | H72 | H73 | 120.0° | 120.0° |
| H71 | C7 | H72 | H73 | 120.0° | 120.0° |
| O3 | C3 | C4 | H3 | 116.0° | 120.2° |
| C3 | O3 | C8 | H81 | 180.0° | 60.0° |
| C3 | O3 | C8 | H82 | 60.0° | 59.9° |
| C3 | O3 | C8 | H83 | 60.0° | 180.0° |
| O3 | C3 | C4 | C5 | 175.1° | 176.9° |
| O3 | C3 | C4 | O4 | 53.3° | 63.3° |
| O3 | C3 | C4 | H4 | 64.2° | 56.9° |
| C4 | C3 | O3 | C8 | 69.5° | 90.5° |
| C3 | C4 | C5 | O5 | 58.7° | 57.6° |
| C3 | C4 | C5 | C6 | 179.1° | 177.6° |
| C3 | C4 | C5 | O4 | 123.0° | 119.9° |
| C3 | C4 | C5 | H4 | 119.5° | 120.0° |
| C3 | C4 | C5 | H5 | 60.8° | 62.3° |
| C3 | C4 | O4 | H4 | 119.3° | 120.2° |
| C3 | C4 | O4 | HO4 | 180.0° | 179.9° |
| H3 | C3 | O3 | C8 | 173.3° | 29.8° |
| H3 | C3 | C4 | C5 | 59.1° | 62.9° |
| H3 | C3 | C4 | O4 | 62.6° | 57.0° |
| H3 | C3 | C4 | H4 | 179.8° | 177.1° |
| O3 | C8 | H81 | H82 | 120.0° | 120.0° |
| O3 | C8 | H81 | H83 | 120.0° | 120.0° |
| O3 | C8 | H82 | H83 | 120.0° | 120.0° |
| H81 | C8 | H82 | H83 | 120.0° | 120.0° |
| O5 | C5 | C6 | C4 | 121.3° | 119.9° |
| O5 | C5 | C6 | H5 | 119.5° | 120.0° |
| O5 | C5 | C4 | H5 | 119.5° | 119.9° |
| O5 | C5 | C6 | O6B | 148.3° | 175.0° |
| O5 | C5 | C6 | O6A | 31.7° | 5.0° |
| O5 | C5 | C4 | O4 | 178.4° | 177.5° |
| O5 | C5 | C4 | H4 | 60.8° | 62.4° |
| C6 | C5 | C4 | H5 | 120.1° | 120.1° |
| C5 | C6 | O6B | O6A | 180.0° | 179.9° |
| C5 | C6 | O6B | HO6B | 180.0° | 180.0° |
| C6 | C5 | C4 | O4 | 58.0° | 62.5° |
| C6 | C5 | C4 | H4 | 59.6° | 57.6° |
| C4 | C5 | C6 | O6B | 90.4° | 65.1° |
| C4 | C5 | C6 | O6A | 89.7° | 114.9° |
| C5 | C4 | O4 | H4 | 120.6° | 120.1° |
| C5 | C4 | O4 | HO4 | 59.9° | 60.3° |
| H5 | C5 | C6 | O6B | 28.8° | 55.1° |
| H5 | C5 | C6 | O6A | 151.2° | 125.0° |
| H5 | C5 | C4 | O4 | 62.1° | 57.6° |
| H5 | C5 | C4 | H4 | 179.7° | 177.7° |
| O6A | C6 | O6B | HO6B | 0.0° | 0.1° |
| H4 | C4 | O4 | HO4 | 60.7° | 59.9° |
