RRY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.49Å | |
| C3 | C4 | sing | 1.55Å | 1.56Å | |
| C3 | C2 | sing | 1.54Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.45Å | |
| C4 | C5 | sing | 1.55Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.44Å | 1.44Å | |
| C6 | CL6 | sing | 1.80Å | 1.84Å | |
| O5 | C2 | sing | 1.44Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C1 | CL1 | sing | 1.80Å | 1.74Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C4 | 115.1° | 110.5° |
| O3 | C3 | C2 | 111.5° | 110.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O3 | C3 | H3 | 109.5° | 110.4° |
| C4 | C3 | C2 | 103.1° | 104.2° |
| C3 | C4 | O4 | 110.5° | 110.9° |
| C3 | C4 | C5 | 101.8° | 102.1° |
| C4 | C3 | H3 | 108.5° | 110.5° |
| C3 | C4 | H4 | 110.3° | 110.9° |
| C3 | C2 | O5 | 105.4° | 107.3° |
| C3 | C2 | C1 | 108.1° | 109.9° |
| C3 | C2 | O2 | 110.2° | 109.9° |
| C2 | C3 | H3 | 109.0° | 110.6° |
| O4 | C4 | C5 | 111.2° | 110.9° |
| O4 | C4 | H4 | 111.9° | 110.8° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C5 | C6 | 113.1° | 110.6° |
| C4 | C5 | O5 | 100.4° | 103.5° |
| C5 | C4 | H4 | 110.8° | 111.0° |
| C4 | C5 | H5 | 110.3° | 110.6° |
| C6 | C5 | O5 | 110.9° | 110.6° |
| C5 | C6 | CL6 | 111.2° | 109.4° |
| C6 | C5 | H5 | 110.2° | 110.6° |
| C5 | C6 | H61 | 109.1° | 109.5° |
| C5 | C6 | H62 | 109.0° | 109.5° |
| C5 | O5 | C2 | 103.8° | 107.0° |
| O5 | C5 | H5 | 111.6° | 110.7° |
| CL6 | C6 | H61 | 109.0° | 109.5° |
| CL6 | C6 | H62 | 109.0° | 109.5° |
| O5 | C2 | C1 | 106.8° | 109.9° |
| O5 | C2 | O2 | 118.2° | 109.8° |
| C1 | C2 | O2 | 107.9° | 110.0° |
| C2 | C1 | CL1 | 110.9° | 109.5° |
| C2 | C1 | H11 | 109.1° | 109.5° |
| C2 | C1 | H12 | 109.1° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| CL1 | C1 | H11 | 109.1° | 109.4° |
| CL1 | C1 | H12 | 109.1° | 109.5° |
| H61 | C6 | H62 | 109.4° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C4 | C2 | 121.6° | 118.6° |
| O3 | C3 | C4 | H3 | 123.0° | 122.6° |
| O3 | C3 | C2 | H3 | 120.9° | 122.5° |
| O3 | C3 | C4 | O4 | 99.3° | 102.3° |
| O3 | C3 | C4 | C5 | 142.6° | 139.5° |
| O3 | C3 | C2 | O5 | 115.4° | 116.7° |
| O3 | C3 | C2 | C1 | 130.8° | 123.9° |
| O3 | C3 | C2 | O2 | 13.1° | 2.7° |
| O3 | C3 | C4 | H4 | 25.0° | 21.3° |
| C4 | C3 | C2 | H3 | 115.1° | 118.8° |
| C3 | C4 | O4 | C5 | 112.2° | 112.7° |
| C3 | C4 | O4 | H4 | 123.3° | 123.6° |
| C3 | C4 | C5 | H4 | 117.3° | 118.3° |
| C3 | C4 | C5 | C6 | 162.1° | 155.6° |
| C3 | C4 | C5 | O5 | 43.8° | 37.1° |
| C4 | C3 | C2 | O5 | 8.6° | 2.0° |
| C4 | C3 | C2 | C1 | 105.2° | 117.4° |
| C4 | C3 | C2 | O2 | 137.1° | 121.4° |
| C4 | C3 | O3 | HO3 | 180.0° | 61.5° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 74.0° | 81.6° |
| C2 | C3 | C4 | O4 | 139.2° | 139.1° |
| C2 | C3 | C4 | C5 | 21.1° | 20.9° |
| C3 | C2 | O5 | C5 | 37.6° | 26.5° |
| C3 | C2 | O5 | C1 | 114.7° | 119.4° |
| C3 | C2 | O5 | O2 | 123.6° | 119.4° |
| C3 | C2 | C1 | O2 | 119.1° | 121.2° |
| C3 | C2 | C1 | CL1 | 72.8° | 180.0° |
| C2 | C3 | O3 | HO3 | 63.1° | 176.2° |
| C2 | C3 | C4 | H4 | 96.6° | 97.4° |
| C3 | C2 | C1 | H11 | 47.4° | 60.0° |
| C3 | C2 | C1 | H12 | 167.0° | 60.0° |
| C3 | C2 | O2 | HO2 | 180.0° | 180.0° |
| O4 | C4 | C5 | H4 | 125.1° | 123.5° |
| O4 | C4 | C5 | C6 | 80.3° | 86.3° |
| O4 | C4 | C5 | O5 | 161.5° | 155.3° |
| O4 | C4 | C3 | H3 | 23.8° | 20.3° |
| O4 | C4 | C5 | H5 | 43.6° | 36.6° |
| C4 | C5 | C6 | O5 | 111.9° | 114.0° |
| C4 | C5 | C6 | H5 | 124.0° | 122.9° |
| C4 | C5 | O5 | H5 | 116.9° | 118.6° |
| C4 | C5 | C6 | CL6 | 145.2° | 175.0° |
| C4 | C5 | O5 | C2 | 51.0° | 40.1° |
| C5 | C4 | C3 | H3 | 94.4° | 97.9° |
| C5 | C4 | O4 | HO4 | 67.8° | 67.3° |
| C4 | C5 | C6 | H61 | 94.5° | 55.0° |
| C4 | C5 | C6 | H62 | 24.9° | 65.0° |
| C6 | C5 | O5 | H5 | 123.3° | 123.0° |
| C5 | C6 | CL6 | H61 | 120.3° | 120.0° |
| C5 | C6 | CL6 | H62 | 120.3° | 120.0° |
| C6 | C5 | O5 | C2 | 170.8° | 158.5° |
| C6 | C5 | C4 | H4 | 44.8° | 37.3° |
| C5 | C6 | H61 | H62 | 119.2° | 120.1° |
| O5 | C5 | C6 | CL6 | 33.3° | 70.9° |
| C5 | O5 | C2 | C1 | 77.2° | 92.9° |
| C5 | O5 | C2 | O2 | 161.2° | 146.0° |
| O5 | C5 | C4 | H4 | 73.4° | 81.2° |
| O5 | C5 | C6 | H61 | 153.6° | 169.1° |
| O5 | C5 | C6 | H62 | 87.0° | 49.0° |
| CL6 | C6 | C5 | H5 | 90.8° | 52.1° |
| CL6 | C6 | H61 | H62 | 119.2° | 120.0° |
| O5 | C2 | C1 | O2 | 127.9° | 121.0° |
| O5 | C2 | C1 | CL1 | 174.3° | 62.2° |
| O5 | C2 | C3 | H3 | 123.7° | 120.8° |
| C2 | O5 | C5 | H5 | 65.9° | 78.5° |
| O5 | C2 | C1 | H11 | 65.5° | 177.8° |
| O5 | C2 | C1 | H12 | 54.1° | 57.8° |
| O5 | C2 | O2 | HO2 | 58.9° | 62.2° |
| C2 | C1 | CL1 | H11 | 120.2° | 120.0° |
| C2 | C1 | CL1 | H12 | 120.2° | 120.0° |
| C1 | C2 | C3 | H3 | 9.9° | 1.4° |
| C2 | C1 | H11 | H12 | 119.3° | 120.0° |
| C1 | C2 | O2 | HO2 | 62.2° | 58.8° |
| O2 | C2 | C1 | CL1 | 46.3° | 58.8° |
| O2 | C2 | C3 | H3 | 107.8° | 119.8° |
| O2 | C2 | C1 | H11 | 166.6° | 61.1° |
| O2 | C2 | C1 | H12 | 73.9° | 178.8° |
| CL1 | C1 | H11 | H12 | 119.4° | 120.0° |
| HO3 | O3 | C3 | H3 | 57.5° | 61.2° |
| H3 | C3 | C4 | H4 | 148.0° | 143.8° |
| H4 | C4 | O4 | HO4 | 56.6° | 56.4° |
| H4 | C4 | C5 | H5 | 168.7° | 160.1° |
| H5 | C5 | C6 | H61 | 29.4° | 67.9° |
| H5 | C5 | C6 | H62 | 148.9° | 172.1° |
