U1Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | O1 | sing | 1.43Å | 1.44Å | |
| O1 | C1 | sing | 1.43Å | 1.39Å | |
| O2 | C2 | sing | 1.43Å | 1.40Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O5 | sing | 1.43Å | 1.39Å | |
| C2 | C3 | sing | 1.53Å | 1.48Å | |
| O5 | C5 | sing | 1.43Å | 1.38Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.48Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.46Å | |
| C6 | S6 | sing | 1.81Å | 1.75Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| S6 | HS6 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | O1 | C1 | 104.6° | 114.0° |
| O1 | C7 | H71 | 109.5° | 109.4° |
| O1 | C7 | H72 | 109.5° | 109.5° |
| O1 | C7 | H73 | 109.5° | 109.5° |
| O1 | C1 | C2 | 118.2° | 109.5° |
| O1 | C1 | O5 | 91.5° | 109.5° |
| O1 | C1 | H1 | 112.7° | 109.5° |
| O2 | C2 | C1 | 113.4° | 109.5° |
| O2 | C2 | C3 | 105.2° | 109.5° |
| O2 | C2 | H2 | 112.0° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C1 | O5 | 109.6° | 109.4° |
| C1 | C2 | C3 | 105.1° | 109.2° |
| C2 | C1 | H1 | 110.6° | 109.5° |
| C1 | C2 | H2 | 110.1° | 109.5° |
| C1 | O5 | C5 | 118.0° | 114.1° |
| O5 | C1 | H1 | 112.8° | 109.5° |
| C2 | C3 | O3 | 116.0° | 109.5° |
| C2 | C3 | C4 | 107.6° | 109.0° |
| C2 | C3 | H3 | 109.2° | 109.6° |
| C3 | C2 | H2 | 110.7° | 109.5° |
| O5 | C5 | C4 | 113.2° | 109.4° |
| O5 | C5 | C6 | 95.6° | 109.5° |
| O5 | C5 | H5 | 111.2° | 109.5° |
| O3 | C3 | C4 | 104.3° | 109.6° |
| O3 | C3 | H3 | 110.2° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | C5 | 114.7° | 109.2° |
| C3 | C4 | O4 | 97.4° | 109.5° |
| C3 | C4 | H4 | 109.8° | 109.6° |
| C4 | C3 | H3 | 109.2° | 109.5° |
| C4 | C5 | C6 | 118.3° | 109.5° |
| C5 | C4 | O4 | 115.2° | 109.5° |
| C4 | C5 | H5 | 108.9° | 109.6° |
| C5 | C4 | H4 | 109.0° | 109.6° |
| C5 | C6 | S6 | 97.9° | 109.5° |
| C6 | C5 | H5 | 109.0° | 109.5° |
| C5 | C6 | H61 | 112.3° | 109.5° |
| C5 | C6 | H62 | 112.3° | 109.5° |
| O4 | C4 | H4 | 110.2° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| S6 | C6 | H61 | 112.3° | 109.5° |
| S6 | C6 | H62 | 112.3° | 109.4° |
| C6 | S6 | HS6 | 102.0° | 103.0° |
| H71 | C7 | H72 | 109.5° | 109.5° |
| H71 | C7 | H73 | 109.4° | 109.5° |
| H72 | C7 | H73 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | O1 | C1 | C2 | 45.5° | 175.0° |
| C7 | O1 | C1 | O5 | 158.8° | 65.1° |
| C7 | O1 | C1 | H1 | 85.7° | 55.0° |
| O1 | C7 | H71 | H72 | 120.0° | 120.0° |
| O1 | C7 | H71 | H73 | 120.0° | 120.0° |
| O1 | C7 | H72 | H73 | 120.0° | 120.0° |
| O1 | C1 | C2 | O2 | 75.4° | 62.5° |
| O1 | C1 | C2 | O5 | 102.9° | 120.0° |
| O1 | C1 | C2 | H1 | 132.1° | 120.0° |
| O1 | C1 | O5 | H1 | 115.5° | 120.1° |
| O1 | C1 | C2 | C3 | 170.2° | 177.6° |
| O1 | C1 | O5 | C5 | 176.4° | 178.9° |
| C1 | O1 | C7 | H71 | 180.0° | 60.0° |
| C1 | O1 | C7 | H72 | 60.0° | 60.0° |
| C1 | O1 | C7 | H73 | 60.0° | 180.0° |
| O1 | C1 | C2 | H2 | 50.9° | 57.7° |
| O2 | C2 | C1 | C3 | 114.4° | 119.9° |
| O2 | C2 | C1 | H2 | 126.3° | 120.2° |
| O2 | C2 | C1 | O5 | 178.3° | 177.5° |
| O2 | C2 | C3 | H2 | 121.2° | 120.2° |
| O2 | C2 | C3 | O3 | 59.1° | 63.2° |
| O2 | C2 | C3 | C4 | 175.4° | 176.9° |
| O2 | C2 | C1 | H1 | 56.7° | 57.5° |
| O2 | C2 | C3 | H3 | 66.2° | 57.0° |
| C2 | C1 | O5 | H1 | 123.7° | 120.0° |
| C1 | C2 | C3 | H2 | 118.8° | 119.9° |
| C2 | C1 | O5 | C5 | 55.6° | 61.2° |
| C1 | C2 | C3 | O3 | 179.1° | 176.9° |
| C1 | C2 | C3 | C4 | 64.6° | 57.0° |
| C1 | C2 | C3 | H3 | 53.8° | 62.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| O5 | C1 | C2 | C3 | 67.3° | 57.6° |
| C1 | O5 | C5 | C4 | 39.0° | 61.2° |
| C1 | O5 | C5 | C6 | 163.1° | 178.9° |
| C1 | O5 | C5 | H5 | 84.0° | 58.8° |
| O5 | C1 | C2 | H2 | 52.0° | 62.3° |
| C2 | C3 | O3 | C4 | 118.2° | 119.5° |
| C2 | C3 | O3 | H3 | 124.7° | 120.3° |
| C2 | C3 | C4 | H3 | 118.5° | 119.9° |
| C2 | C3 | C4 | C5 | 51.4° | 57.0° |
| C2 | C3 | C4 | O4 | 173.5° | 176.9° |
| C3 | C2 | C1 | H1 | 57.6° | 62.4° |
| C2 | C3 | C4 | H4 | 71.8° | 63.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.4° |
| C3 | C2 | O2 | HO2 | 65.7° | 179.6° |
| O5 | C5 | C4 | C3 | 36.6° | 57.7° |
| O5 | C5 | C4 | C6 | 110.6° | 119.9° |
| O5 | C5 | C4 | H5 | 124.2° | 120.0° |
| O5 | C5 | C6 | H5 | 114.7° | 120.0° |
| O5 | C5 | C4 | O4 | 148.4° | 177.5° |
| O5 | C5 | C6 | S6 | 113.3° | 65.0° |
| C5 | O5 | C1 | H1 | 68.1° | 58.8° |
| O5 | C5 | C4 | H4 | 87.1° | 62.3° |
| O5 | C5 | C6 | H61 | 128.6° | 55.0° |
| O5 | C5 | C6 | H62 | 4.7° | 175.0° |
| O3 | C3 | C4 | H3 | 117.8° | 120.2° |
| O3 | C3 | C4 | C5 | 175.2° | 176.9° |
| O3 | C3 | C4 | O4 | 62.7° | 63.2° |
| O3 | C3 | C4 | H4 | 52.0° | 56.9° |
| O3 | C3 | C2 | H2 | 62.1° | 56.9° |
| C3 | C4 | C5 | O4 | 111.8° | 119.9° |
| C3 | C4 | C5 | H4 | 123.6° | 120.0° |
| C3 | C4 | C5 | C6 | 147.2° | 177.6° |
| C3 | C4 | O4 | H4 | 114.4° | 120.1° |
| C3 | C4 | C5 | H5 | 87.7° | 62.3° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.3° |
| C4 | C3 | O3 | HO3 | 61.9° | 180.0° |
| C4 | C3 | C2 | H2 | 54.2° | 63.0° |
| C4 | C5 | C6 | H5 | 125.1° | 120.1° |
| C5 | C4 | O4 | H4 | 123.9° | 120.2° |
| C4 | C5 | C6 | S6 | 126.5° | 175.1° |
| C5 | C4 | O4 | HO4 | 58.3° | 179.9° |
| C5 | C4 | C3 | H3 | 67.0° | 62.9° |
| C4 | C5 | C6 | H61 | 8.4° | 64.9° |
| C4 | C5 | C6 | H62 | 115.5° | 55.1° |
| C6 | C5 | C4 | O4 | 101.0° | 62.5° |
| C5 | C6 | S6 | H61 | 118.1° | 120.0° |
| C5 | C6 | S6 | H62 | 118.0° | 120.0° |
| C6 | C5 | C4 | H4 | 23.5° | 57.6° |
| C5 | C6 | H61 | H62 | 125.4° | 120.0° |
| C5 | C6 | S6 | HS6 | 180.0° | 180.0° |
| O4 | C4 | C5 | H5 | 24.1° | 57.5° |
| O4 | C4 | C3 | H3 | 55.1° | 57.0° |
| S6 | C6 | C5 | H5 | 1.4° | 55.0° |
| S6 | C6 | H61 | H62 | 125.4° | 120.0° |
| H1 | C1 | C2 | H2 | 176.9° | 177.7° |
| H71 | C7 | H72 | H73 | 119.9° | 120.0° |
| H5 | C5 | C4 | H4 | 148.7° | 177.7° |
| H5 | C5 | C6 | H61 | 116.7° | 175.0° |
| H5 | C5 | C6 | H62 | 119.4° | 65.0° |
| H4 | C4 | O4 | HO4 | 65.7° | 59.9° |
| H4 | C4 | C3 | H3 | 169.8° | 177.1° |
| H3 | C3 | O3 | HO3 | 55.2° | 59.8° |
| H3 | C3 | C2 | H2 | 172.7° | 177.2° |
| H2 | C2 | O2 | HO2 | 54.7° | 60.2° |
| H61 | C6 | S6 | HS6 | 62.0° | 60.0° |
| H62 | C6 | S6 | HS6 | 61.9° | 60.0° |
