3DY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.43Å | 1.45Å | |
| C6 | C5 | sing | 1.55Å | 1.54Å | |
| C6 | O3 | sing | 1.45Å | 1.46Å | |
| C5 | C4 | sing | 1.56Å | 1.48Å | |
| C5 | O5 | sing | 1.44Å | 1.51Å | |
| C4 | C3 | sing | 1.55Å | 1.55Å | |
| O3 | C3 | sing | 1.44Å | 1.47Å | |
| C3 | C2 | sing | 1.54Å | 1.55Å | |
| O5 | C1 | sing | 1.43Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.58Å | |
| C2 | O2 | sing | 1.43Å | 1.50Å | |
| C1 | O1 | sing | 1.43Å | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O2 | H7 | sing | 0.97Å | 0.95Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | C5 | 106.4° | 111.5° |
| O4 | C4 | C3 | 111.5° | 111.4° |
| O4 | C4 | H3 | 113.5° | 111.2° |
| C4 | O4 | H8 | 109.5° | 114.0° |
| C5 | C6 | O3 | 105.8° | 107.4° |
| C6 | C5 | C4 | 102.9° | 101.6° |
| C6 | C5 | O5 | 110.2° | 106.7° |
| C6 | C5 | H4 | 110.7° | 114.4° |
| C5 | C6 | H5 | 110.4° | 109.9° |
| C5 | C6 | H6 | 110.4° | 109.9° |
| C6 | O3 | C3 | 107.0° | 108.3° |
| O3 | C6 | H5 | 110.4° | 109.8° |
| O3 | C6 | H6 | 110.4° | 109.7° |
| C4 | C5 | O5 | 110.0° | 105.8° |
| C5 | C4 | C3 | 99.4° | 99.4° |
| C5 | C4 | H3 | 113.0° | 111.4° |
| C4 | C5 | H4 | 111.6° | 113.7° |
| C5 | O5 | C1 | 114.7° | 113.5° |
| O5 | C5 | H4 | 111.1° | 113.5° |
| C4 | C3 | O3 | 103.4° | 104.9° |
| C4 | C3 | C2 | 108.4° | 106.0° |
| C4 | C3 | H2 | 110.8° | 112.7° |
| C3 | C4 | H3 | 112.0° | 111.4° |
| O3 | C3 | C2 | 111.1° | 107.1° |
| O3 | C3 | H2 | 112.0° | 112.8° |
| C3 | C2 | C1 | 112.0° | 108.7° |
| C3 | C2 | O2 | 110.9° | 109.6° |
| C3 | C2 | H1 | 108.3° | 109.7° |
| C2 | C3 | H2 | 110.8° | 112.7° |
| O5 | C1 | C2 | 112.7° | 110.3° |
| O5 | C1 | O1 | 118.4° | 109.3° |
| O5 | C1 | H9 | 103.3° | 109.3° |
| C1 | C2 | O2 | 108.6° | 109.6° |
| C2 | C1 | O1 | 114.0° | 109.3° |
| C1 | C2 | H1 | 108.0° | 109.6° |
| C2 | C1 | H9 | 102.6° | 109.3° |
| O2 | C2 | H1 | 109.0° | 109.6° |
| C2 | O2 | H7 | 109.5° | 114.0° |
| O1 | C1 | H9 | 103.3° | 109.3° |
| C1 | O1 | H10 | 109.5° | 114.0° |
| H5 | C6 | H6 | 109.4° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C5 | C6 | 73.1° | 79.2° |
| O4 | C4 | C5 | C3 | 115.9° | 117.6° |
| O4 | C4 | C5 | H3 | 125.3° | 124.9° |
| O4 | C4 | C5 | O5 | 169.5° | 169.5° |
| O4 | C4 | C3 | H3 | 128.5° | 124.9° |
| O4 | C4 | C3 | O3 | 67.7° | 76.0° |
| O4 | C4 | C3 | C2 | 174.3° | 170.9° |
| O4 | C4 | C3 | H2 | 52.5° | 47.1° |
| O4 | C4 | C5 | H4 | 45.7° | 44.2° |
| C5 | C6 | O3 | H5 | 119.4° | 119.5° |
| C5 | C6 | O3 | H6 | 119.5° | 119.5° |
| C6 | C5 | C4 | O5 | 117.4° | 111.3° |
| C6 | C5 | C4 | H4 | 118.7° | 123.5° |
| C6 | C5 | O5 | H4 | 123.1° | 127.0° |
| C6 | C5 | C4 | C3 | 42.8° | 38.3° |
| C5 | C6 | O3 | C3 | 0.9° | 2.5° |
| C6 | C5 | O5 | C1 | 53.9° | 39.4° |
| C6 | C5 | C4 | H3 | 161.6° | 155.9° |
| C5 | C6 | H5 | H6 | 121.7° | 121.2° |
| O3 | C6 | C5 | C4 | 27.6° | 23.8° |
| O3 | C6 | C5 | O5 | 89.7° | 86.9° |
| C6 | O3 | C3 | C4 | 27.8° | 28.1° |
| C6 | O3 | C3 | C2 | 88.3° | 84.3° |
| C6 | O3 | C3 | H2 | 147.2° | 151.2° |
| O3 | C6 | C5 | H4 | 147.0° | 146.7° |
| O3 | C6 | H5 | H6 | 121.7° | 120.9° |
| C4 | C5 | O5 | H4 | 124.1° | 125.4° |
| C5 | C4 | C3 | H3 | 119.6° | 117.5° |
| C5 | C4 | C3 | O3 | 44.3° | 41.6° |
| C5 | C4 | C3 | C2 | 73.7° | 71.5° |
| C4 | C5 | O5 | C1 | 59.0° | 68.3° |
| C5 | C4 | C3 | H2 | 164.5° | 164.7° |
| C4 | C5 | C6 | H5 | 91.9° | 95.7° |
| C4 | C5 | C6 | H6 | 147.0° | 143.1° |
| C5 | C4 | O4 | H8 | 180.0° | 69.9° |
| O5 | C5 | C4 | C3 | 74.6° | 73.0° |
| C5 | O5 | C1 | C2 | 35.8° | 55.8° |
| C5 | O5 | C1 | O1 | 100.9° | 64.4° |
| O5 | C5 | C4 | H3 | 44.2° | 44.6° |
| O5 | C5 | C6 | H5 | 150.8° | 153.7° |
| O5 | C5 | C6 | H6 | 29.7° | 32.5° |
| C5 | O5 | C1 | H9 | 145.8° | 176.1° |
| C4 | C3 | O3 | C2 | 116.1° | 112.4° |
| C4 | C3 | O3 | H2 | 119.4° | 123.1° |
| C4 | C3 | C2 | H2 | 121.8° | 123.8° |
| C4 | C3 | C2 | C1 | 56.1° | 62.8° |
| C4 | C3 | C2 | O2 | 65.3° | 56.9° |
| C4 | C3 | C2 | H1 | 175.2° | 177.3° |
| C3 | C4 | C5 | H4 | 161.5° | 161.8° |
| C3 | C4 | O4 | H8 | 72.6° | 179.9° |
| O3 | C3 | C2 | H2 | 125.2° | 124.6° |
| O3 | C3 | C2 | C1 | 56.8° | 48.8° |
| O3 | C3 | C2 | O2 | 178.3° | 168.5° |
| O3 | C3 | C2 | H1 | 62.2° | 71.1° |
| O3 | C3 | C4 | H3 | 163.9° | 159.2° |
| C3 | O3 | C6 | H5 | 120.4° | 121.9° |
| C3 | O3 | C6 | H6 | 118.5° | 117.0° |
| C3 | C2 | C1 | O5 | 35.4° | 51.7° |
| C3 | C2 | C1 | O2 | 122.7° | 119.7° |
| C3 | C2 | C1 | H1 | 119.2° | 119.9° |
| C3 | C2 | O2 | H1 | 119.1° | 120.5° |
| C3 | C2 | C1 | O1 | 103.2° | 68.5° |
| C2 | C3 | C4 | H3 | 45.9° | 46.0° |
| C3 | C2 | O2 | H7 | 180.0° | 179.2° |
| C3 | C2 | C1 | H9 | 145.9° | 172.0° |
| O5 | C1 | C2 | O1 | 138.6° | 120.2° |
| O5 | C1 | C2 | H9 | 110.5° | 120.2° |
| O5 | C1 | C2 | O2 | 87.3° | 68.0° |
| O5 | C1 | O1 | H9 | 113.4° | 119.6° |
| O5 | C1 | C2 | H1 | 154.6° | 171.7° |
| C1 | O5 | C5 | H4 | 176.9° | 166.4° |
| O5 | C1 | O1 | H10 | 180.0° | 59.6° |
| C1 | C2 | O2 | H1 | 117.5° | 120.4° |
| C2 | C1 | O1 | H9 | 110.5° | 119.6° |
| C1 | C2 | C3 | H2 | 177.9° | 173.4° |
| C1 | C2 | O2 | H7 | 56.6° | 60.0° |
| C2 | C1 | O1 | H10 | 43.9° | 179.6° |
| O2 | C2 | C1 | O1 | 134.1° | 171.8° |
| O2 | C2 | C3 | H2 | 56.5° | 66.9° |
| O2 | C2 | C1 | H9 | 23.2° | 52.2° |
| O1 | C1 | C2 | H1 | 16.0° | 51.4° |
| H1 | C2 | C3 | H2 | 63.0° | 53.5° |
| H1 | C2 | O2 | H7 | 60.9° | 60.3° |
| H1 | C2 | C1 | H9 | 94.9° | 68.1° |
| H2 | C3 | C4 | H3 | 75.9° | 77.7° |
| H3 | C4 | C5 | H4 | 79.6° | 80.7° |
| H3 | C4 | O4 | H8 | 55.0° | 55.1° |
| H4 | C5 | C6 | H5 | 27.5° | 27.3° |
| H4 | C5 | C6 | H6 | 93.6° | 93.9° |
| H9 | C1 | O1 | H10 | 66.6° | 60.0° |
