Obsolete: YYR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | N2 | sing | 1.47Å | 1.47Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | N2 | sing | 1.35Å | 1.35Å | |
| C21 | O21 | doub | 1.21Å | 1.22Å | |
| C21 | C2M | sing | 1.51Å | 1.50Å | |
| C2M | H2M3 | sing | 1.09Å | 1.10Å | |
| C2M | H2M1 | sing | 1.09Å | 1.10Å | |
| C2M | H2M2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | O4 | sing | 1.43Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| N2 | H2N | sing | 0.97Å | 1.00Å | |
| O3 | H3O | sing | 0.97Å | 0.95Å | |
| O4 | H4O | sing | 0.97Å | 0.95Å | |
| O6 | H6O | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O5 | 107.2° | 109.5° |
| C2 | C1 | H11 | 110.0° | 109.5° |
| C2 | C1 | H12 | 110.0° | 109.5° |
| C1 | C2 | C3 | 108.5° | 109.1° |
| C1 | C2 | N2 | 108.3° | 109.5° |
| C1 | C2 | H2 | 108.7° | 109.5° |
| O5 | C1 | H11 | 110.0° | 109.5° |
| O5 | C1 | H12 | 110.0° | 109.5° |
| C1 | O5 | C5 | 114.9° | 114.1° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| C3 | C2 | N2 | 113.7° | 109.5° |
| C3 | C2 | H2 | 108.4° | 109.5° |
| C2 | C3 | C4 | 118.9° | 109.0° |
| C2 | C3 | O3 | 104.9° | 109.5° |
| C2 | C3 | H3 | 108.2° | 109.5° |
| N2 | C2 | H2 | 109.2° | 109.6° |
| C2 | N2 | C21 | 127.6° | 120.0° |
| C2 | N2 | H2N | 116.2° | 119.9° |
| N2 | C21 | O21 | 124.7° | 120.0° |
| N2 | C21 | C2M | 116.7° | 120.0° |
| C21 | N2 | H2N | 116.2° | 120.1° |
| O21 | C21 | C2M | 118.6° | 120.0° |
| C21 | C2M | H2M3 | 109.5° | 109.5° |
| C21 | C2M | H2M1 | 109.5° | 109.5° |
| C21 | C2M | H2M2 | 109.5° | 109.5° |
| H2M3 | C2M | H2M1 | 109.5° | 109.4° |
| H2M3 | C2M | H2M2 | 109.5° | 109.4° |
| H2M1 | C2M | H2M2 | 109.4° | 109.5° |
| C4 | C3 | O3 | 106.8° | 109.5° |
| C4 | C3 | H3 | 108.0° | 109.6° |
| C3 | C4 | H4 | 104.6° | 109.5° |
| C3 | C4 | O4 | 115.0° | 109.5° |
| C3 | C4 | C5 | 110.7° | 109.1° |
| O3 | C3 | H3 | 109.7° | 109.6° |
| C3 | O3 | H3O | 109.5° | 114.0° |
| H4 | C4 | O4 | 105.4° | 109.6° |
| H4 | C4 | C5 | 104.6° | 109.5° |
| O4 | C4 | C5 | 115.2° | 109.6° |
| C4 | O4 | H4O | 109.5° | 113.9° |
| C4 | C5 | H5 | 107.9° | 109.5° |
| C4 | C5 | O5 | 116.0° | 109.4° |
| C4 | C5 | C6 | 110.2° | 109.5° |
| H5 | C5 | O5 | 109.4° | 109.4° |
| H5 | C5 | C6 | 108.2° | 109.5° |
| O5 | C5 | C6 | 104.9° | 109.5° |
| C5 | C6 | H61 | 109.4° | 109.5° |
| C5 | C6 | H62 | 109.4° | 109.5° |
| C5 | C6 | O6 | 109.9° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| H61 | C6 | O6 | 109.4° | 109.5° |
| H62 | C6 | O6 | 109.4° | 109.4° |
| C6 | O6 | H6O | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O5 | H11 | 119.7° | 120.0° |
| C2 | C1 | O5 | H12 | 119.7° | 120.0° |
| C2 | C1 | H11 | H12 | 121.1° | 120.0° |
| C1 | C2 | C3 | N2 | 120.5° | 119.9° |
| C1 | C2 | C3 | H2 | 117.9° | 119.9° |
| C1 | C2 | N2 | H2 | 118.2° | 120.2° |
| C1 | C2 | N2 | C21 | 137.3° | 85.0° |
| C1 | C2 | C3 | C4 | 9.2° | 57.0° |
| C1 | C2 | C3 | O3 | 128.4° | 176.8° |
| C1 | C2 | C3 | H3 | 114.5° | 62.9° |
| C2 | C1 | O5 | C5 | 70.8° | 61.1° |
| C1 | C2 | N2 | H2N | 42.7° | 95.0° |
| O5 | C1 | H11 | H12 | 121.0° | 120.0° |
| O5 | C1 | C2 | C3 | 58.9° | 57.6° |
| O5 | C1 | C2 | N2 | 64.9° | 62.3° |
| O5 | C1 | C2 | H2 | 176.6° | 177.5° |
| C1 | O5 | C5 | C4 | 25.8° | 61.1° |
| C1 | O5 | C5 | H5 | 96.6° | 58.8° |
| C1 | O5 | C5 | C6 | 147.6° | 178.9° |
| H11 | C1 | C2 | C3 | 178.5° | 177.6° |
| H11 | C1 | C2 | N2 | 54.7° | 57.7° |
| H11 | C1 | C2 | H2 | 63.8° | 62.5° |
| H11 | C1 | O5 | C5 | 169.5° | 178.8° |
| H12 | C1 | C2 | C3 | 60.8° | 62.4° |
| H12 | C1 | C2 | N2 | 175.4° | 177.7° |
| H12 | C1 | C2 | H2 | 56.9° | 57.5° |
| H12 | C1 | O5 | C5 | 48.8° | 58.8° |
| C3 | C2 | N2 | H2 | 121.1° | 120.2° |
| C3 | C2 | N2 | C21 | 102.1° | 155.3° |
| C2 | C3 | C4 | O3 | 118.3° | 119.8° |
| C2 | C3 | C4 | H3 | 123.8° | 119.9° |
| C2 | C3 | O3 | H3 | 116.1° | 120.2° |
| C2 | C3 | C4 | H4 | 143.2° | 62.9° |
| C2 | C3 | C4 | O4 | 101.7° | 177.0° |
| C2 | C3 | C4 | C5 | 31.1° | 57.0° |
| C3 | C2 | N2 | H2N | 77.9° | 24.6° |
| C2 | C3 | O3 | H3O | 180.0° | 180.0° |
| C2 | N2 | C21 | H2N | 180.0° | 179.9° |
| C2 | N2 | C21 | O21 | 58.2° | 0.0° |
| C2 | N2 | C21 | C2M | 122.9° | 180.0° |
| N2 | C2 | C3 | C4 | 111.3° | 62.9° |
| N2 | C2 | C3 | O3 | 7.9° | 57.0° |
| N2 | C2 | C3 | H3 | 125.0° | 177.2° |
| H2 | C2 | N2 | C21 | 19.1° | 35.1° |
| H2 | C2 | C3 | C4 | 127.1° | 176.9° |
| H2 | C2 | C3 | O3 | 113.7° | 63.3° |
| H2 | C2 | C3 | H3 | 3.4° | 56.9° |
| H2 | C2 | N2 | H2N | 160.9° | 144.8° |
| N2 | C21 | O21 | C2M | 178.9° | 180.0° |
| N2 | C21 | C2M | H2M3 | 179.0° | 90.0° |
| N2 | C21 | C2M | H2M1 | 59.0° | 150.0° |
| N2 | C21 | C2M | H2M2 | 61.0° | 29.9° |
| O21 | C21 | C2M | H2M3 | 0.0° | 90.0° |
| O21 | C21 | C2M | H2M1 | 120.0° | 29.9° |
| O21 | C21 | C2M | H2M2 | 120.0° | 150.0° |
| O21 | C21 | N2 | H2N | 121.8° | 180.0° |
| C21 | C2M | H2M3 | H2M1 | 120.0° | 120.0° |
| C21 | C2M | H2M3 | H2M2 | 120.0° | 120.0° |
| C21 | C2M | H2M1 | H2M2 | 120.0° | 120.1° |
| C2M | C21 | N2 | H2N | 57.1° | 0.1° |
| H2M3 | C2M | H2M1 | H2M2 | 120.0° | 120.0° |
| C4 | C3 | O3 | H3 | 116.8° | 120.3° |
| C3 | C4 | H4 | O4 | 121.7° | 120.1° |
| C3 | C4 | H4 | C5 | 116.4° | 119.6° |
| C3 | C4 | O4 | C5 | 130.6° | 119.7° |
| C3 | C4 | C5 | H5 | 147.1° | 62.3° |
| C3 | C4 | C5 | O5 | 24.0° | 57.6° |
| C3 | C4 | C5 | C6 | 95.0° | 177.6° |
| C4 | C3 | O3 | H3O | 52.9° | 60.4° |
| C3 | C4 | O4 | H4O | 180.0° | 180.0° |
| O3 | C3 | C4 | H4 | 24.9° | 56.9° |
| O3 | C3 | C4 | O4 | 140.0° | 63.2° |
| O3 | C3 | C4 | C5 | 87.2° | 176.8° |
| H3 | C3 | C4 | H4 | 93.0° | 177.2° |
| H3 | C3 | C4 | O4 | 22.1° | 57.1° |
| H3 | C3 | C4 | C5 | 154.9° | 62.9° |
| H3 | C3 | O3 | H3O | 63.9° | 59.9° |
| H4 | C4 | O4 | C5 | 114.8° | 120.2° |
| H4 | C4 | C5 | H5 | 100.8° | 177.8° |
| H4 | C4 | C5 | O5 | 136.0° | 62.3° |
| H4 | C4 | C5 | C6 | 17.1° | 57.7° |
| H4 | C4 | O4 | H4O | 65.4° | 59.9° |
| O4 | C4 | C5 | H5 | 14.4° | 57.6° |
| O4 | C4 | C5 | O5 | 108.7° | 177.5° |
| O4 | C4 | C5 | C6 | 132.4° | 62.5° |
| C4 | C5 | H5 | O5 | 127.0° | 119.9° |
| C4 | C5 | H5 | C6 | 119.3° | 120.0° |
| C4 | C5 | O5 | C6 | 121.8° | 120.0° |
| C4 | C5 | C6 | H61 | 49.4° | 55.0° |
| C4 | C5 | C6 | H62 | 70.5° | 65.0° |
| C4 | C5 | C6 | O6 | 169.4° | 175.0° |
| C5 | C4 | O4 | H4O | 49.4° | 60.3° |
| H5 | C5 | O5 | C6 | 115.8° | 120.1° |
| H5 | C5 | C6 | H61 | 68.4° | 65.0° |
| H5 | C5 | C6 | H62 | 171.7° | 175.0° |
| H5 | C5 | C6 | O6 | 51.6° | 55.0° |
| O5 | C5 | C6 | H61 | 174.9° | 175.0° |
| O5 | C5 | C6 | H62 | 55.0° | 55.0° |
| O5 | C5 | C6 | O6 | 65.0° | 65.0° |
| C5 | C6 | H61 | H62 | 119.8° | 120.1° |
| C5 | C6 | H61 | O6 | 120.4° | 120.0° |
| C5 | C6 | H62 | O6 | 120.4° | 120.0° |
| C5 | C6 | O6 | H6O | 180.0° | 179.9° |
| H61 | C6 | H62 | O6 | 119.8° | 120.0° |
| H61 | C6 | O6 | H6O | 59.9° | 59.9° |
| H62 | C6 | O6 | H6O | 59.9° | 60.0° |
