AXR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.54Å | 1.53Å | |
| C4 | O4 | sing | 1.44Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | C1 | sing | 1.44Å | 1.43Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.55Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.55Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | O5 | HO5 | 109.5° | 114.0° |
| O5 | C5 | C4 | 104.6° | 109.5° |
| O5 | C5 | H51 | 111.2° | 109.4° |
| O5 | C5 | H52 | 112.2° | 109.5° |
| C4 | C5 | H51 | 111.2° | 109.5° |
| C4 | C5 | H52 | 112.2° | 109.5° |
| C5 | C4 | C3 | 106.3° | 109.9° |
| C5 | C4 | O4 | 105.5° | 109.9° |
| C5 | C4 | H4 | 111.4° | 109.8° |
| H51 | C5 | H52 | 105.7° | 109.5° |
| C3 | C4 | O4 | 100.8° | 107.3° |
| C3 | C4 | H4 | 115.5° | 109.8° |
| C4 | C3 | O3 | 106.3° | 110.5° |
| C4 | C3 | C2 | 97.2° | 104.2° |
| C4 | C3 | H3 | 117.5° | 110.5° |
| O4 | C4 | H4 | 116.2° | 110.0° |
| C4 | O4 | C1 | 108.4° | 107.0° |
| O4 | C1 | C2 | 104.9° | 103.5° |
| O4 | C1 | O1 | 110.0° | 110.6° |
| O4 | C1 | H1 | 110.7° | 110.6° |
| O3 | C3 | C2 | 105.4° | 110.5° |
| O3 | C3 | H3 | 110.6° | 110.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C2 | C3 | H3 | 118.2° | 110.4° |
| C3 | C2 | O2 | 108.0° | 110.9° |
| C3 | C2 | C1 | 101.3° | 102.1° |
| C3 | C2 | H2 | 114.4° | 110.9° |
| O2 | C2 | C1 | 106.3° | 110.9° |
| O2 | C2 | H2 | 110.0° | 110.8° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C1 | C2 | H2 | 116.0° | 110.9° |
| C2 | C1 | O1 | 105.1° | 110.6° |
| C2 | C1 | H1 | 115.2° | 110.6° |
| O1 | C1 | H1 | 110.5° | 110.7° |
| C1 | O1 | C6 | 109.6° | 114.0° |
| O1 | C6 | H6 | 109.5° | 109.4° |
| O1 | C6 | H6A | 109.4° | 109.5° |
| O1 | C6 | H6B | 109.5° | 109.5° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| H6 | C6 | H6B | 109.4° | 109.5° |
| H6A | C6 | H6B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C5 | C4 | H51 | 120.0° | 119.9° |
| O5 | C5 | C4 | H52 | 121.8° | 120.1° |
| O5 | C5 | H51 | H52 | 122.0° | 120.0° |
| O5 | C5 | C4 | C3 | 169.7° | 175.0° |
| O5 | C5 | C4 | O4 | 63.3° | 67.1° |
| O5 | C5 | C4 | H4 | 63.6° | 54.1° |
| HO5 | O5 | C5 | C4 | 102.2° | 180.0° |
| HO5 | O5 | C5 | H51 | 17.8° | 60.1° |
| HO5 | O5 | C5 | H52 | 135.9° | 59.9° |
| C4 | C5 | H51 | H52 | 122.0° | 120.0° |
| C5 | C4 | C3 | O4 | 109.8° | 119.5° |
| C5 | C4 | C3 | H4 | 124.2° | 120.9° |
| C5 | C4 | O4 | H4 | 124.0° | 121.1° |
| C5 | C4 | O4 | C1 | 148.4° | 92.9° |
| C5 | C4 | C3 | O3 | 91.1° | 123.9° |
| C5 | C4 | C3 | C2 | 160.5° | 117.4° |
| C5 | C4 | C3 | H3 | 33.4° | 1.2° |
| H51 | C5 | C4 | C3 | 49.7° | 65.0° |
| H51 | C5 | C4 | O4 | 56.7° | 52.8° |
| H51 | C5 | C4 | H4 | 176.3° | 174.0° |
| H52 | C5 | C4 | C3 | 68.4° | 55.0° |
| H52 | C5 | C4 | O4 | 174.9° | 172.8° |
| H52 | C5 | C4 | H4 | 58.2° | 66.0° |
| C3 | C4 | O4 | H4 | 125.6° | 119.5° |
| C3 | C4 | O4 | C1 | 37.9° | 26.5° |
| C4 | C3 | O3 | C2 | 102.5° | 114.8° |
| C4 | C3 | O3 | H3 | 128.6° | 122.7° |
| C4 | C3 | C2 | H3 | 126.6° | 118.7° |
| C4 | C3 | O3 | HO3 | 62.7° | 180.0° |
| C4 | C3 | C2 | O2 | 156.3° | 139.1° |
| C4 | C3 | C2 | C1 | 44.8° | 20.9° |
| C4 | C3 | C2 | H2 | 80.7° | 97.3° |
| O4 | C4 | C3 | O3 | 159.1° | 116.6° |
| O4 | C4 | C3 | C2 | 50.7° | 2.0° |
| O4 | C4 | C3 | H3 | 76.4° | 120.7° |
| C4 | O4 | C1 | C2 | 8.7° | 40.0° |
| C4 | O4 | C1 | O1 | 103.9° | 158.6° |
| C4 | O4 | C1 | H1 | 133.6° | 78.4° |
| H4 | C4 | O4 | C1 | 87.7° | 146.0° |
| H4 | C4 | C3 | O3 | 33.1° | 3.0° |
| H4 | C4 | C3 | C2 | 75.4° | 121.7° |
| H4 | C4 | C3 | H3 | 157.5° | 119.7° |
| O4 | C1 | C2 | C3 | 24.0° | 37.0° |
| O4 | C1 | C2 | O2 | 136.8° | 155.2° |
| O4 | C1 | C2 | O1 | 116.1° | 118.5° |
| O4 | C1 | C2 | H1 | 122.0° | 118.4° |
| O4 | C1 | C2 | H2 | 100.5° | 81.2° |
| O4 | C1 | O1 | H1 | 122.6° | 122.9° |
| O4 | C1 | O1 | C6 | 77.3° | 71.4° |
| O3 | C3 | C2 | H3 | 124.2° | 122.6° |
| O3 | C3 | C2 | O2 | 94.5° | 102.2° |
| O3 | C3 | C2 | C1 | 154.0° | 139.6° |
| O3 | C3 | C2 | H2 | 28.5° | 21.4° |
| C2 | C3 | O3 | HO3 | 39.9° | 65.2° |
| C3 | C2 | O2 | C1 | 108.1° | 112.7° |
| C3 | C2 | O2 | H2 | 125.6° | 123.7° |
| C3 | C2 | C1 | H2 | 124.5° | 118.2° |
| C3 | C2 | O2 | HO2 | 102.7° | 180.0° |
| C3 | C2 | C1 | O1 | 140.1° | 155.5° |
| C3 | C2 | C1 | H1 | 98.0° | 81.4° |
| H3 | C3 | O3 | HO3 | 168.7° | 57.3° |
| H3 | C3 | C2 | O2 | 29.7° | 20.4° |
| H3 | C3 | C2 | C1 | 81.8° | 97.8° |
| H3 | C3 | C2 | H2 | 152.7° | 144.0° |
| O2 | C2 | C1 | H2 | 122.7° | 123.6° |
| O2 | C2 | C1 | O1 | 107.1° | 86.3° |
| O2 | C2 | C1 | H1 | 14.8° | 36.8° |
| C1 | C2 | O2 | HO2 | 149.2° | 67.3° |
| C2 | C1 | O1 | H1 | 124.9° | 123.0° |
| C2 | C1 | O1 | C6 | 170.2° | 174.5° |
| H2 | C2 | O2 | HO2 | 22.9° | 56.4° |
| H2 | C2 | C1 | O1 | 15.5° | 37.3° |
| H2 | C2 | C1 | H1 | 137.5° | 160.4° |
| C1 | O1 | C6 | H6 | 12.0° | 180.0° |
| C1 | O1 | C6 | H6A | 132.0° | 60.0° |
| C1 | O1 | C6 | H6B | 108.0° | 60.1° |
| H1 | C1 | O1 | C6 | 45.3° | 51.5° |
| O1 | C6 | H6 | H6A | 120.0° | 120.0° |
| O1 | C6 | H6 | H6B | 120.0° | 120.0° |
| O1 | C6 | H6A | H6B | 120.0° | 120.1° |
| H6 | C6 | H6A | H6B | 120.0° | 120.0° |
