AOL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.43Å | 1.42Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C4 | C3 | sing | 1.54Å | 1.54Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| 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 | 1.41Å | |
| C2 | C1 | sing | 1.55Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | C5 | sing | 1.54Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C5 | N5 | sing | 1.47Å | 1.47Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N5 | HN51 | sing | 1.01Å | 1.00Å | |
| N5 | HN52 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | O4 | HO4 | 109.5° | 106.9° |
| O4 | C4 | C3 | 118.8° | 110.0° |
| O4 | C4 | C5 | 106.4° | 110.1° |
| O4 | C4 | H4 | 103.8° | 110.0° |
| C3 | C4 | C5 | 103.8° | 106.6° |
| C3 | C4 | H4 | 106.3° | 110.1° |
| C4 | C3 | O3 | 108.9° | 110.5° |
| C4 | C3 | C2 | 106.0° | 104.2° |
| C4 | C3 | H3 | 116.1° | 110.5° |
| C5 | C4 | H4 | 118.7° | 110.0° |
| C4 | C5 | C1 | 107.5° | 106.6° |
| C4 | C5 | N5 | 118.0° | 110.0° |
| C4 | C5 | H5 | 103.0° | 110.1° |
| O3 | C3 | C2 | 119.0° | 110.6° |
| O3 | C3 | H3 | 102.2° | 110.4° |
| C3 | O3 | HO3 | 109.5° | 106.8° |
| C2 | C3 | H3 | 105.3° | 110.5° |
| C3 | C2 | O2 | 114.6° | 110.8° |
| C3 | C2 | C1 | 101.5° | 102.8° |
| C3 | C2 | H2 | 114.3° | 110.8° |
| O2 | C2 | C1 | 116.7° | 110.9° |
| O2 | C2 | H2 | 98.3° | 110.7° |
| C2 | O2 | HO2 | 109.5° | 106.8° |
| C1 | C2 | H2 | 112.1° | 110.7° |
| C2 | C1 | O1 | 114.1° | 110.5° |
| C2 | C1 | C5 | 101.8° | 104.1° |
| C2 | C1 | H1 | 115.1° | 110.5° |
| O1 | C1 | C5 | 118.1° | 110.6° |
| O1 | C1 | H1 | 97.6° | 110.4° |
| C1 | O1 | HO1 | 109.5° | 106.8° |
| C5 | C1 | H1 | 110.8° | 110.6° |
| C1 | C5 | N5 | 102.2° | 110.0° |
| C1 | C5 | H5 | 118.6° | 110.0° |
| N5 | C5 | H5 | 108.3° | 110.1° |
| C5 | N5 | HN51 | 109.5° | 106.7° |
| C5 | N5 | HN52 | 109.5° | 106.7° |
| HN51 | N5 | HN52 | 109.5° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C3 | C5 | 117.8° | 119.4° |
| O4 | C4 | C3 | H4 | 116.3° | 121.4° |
| O4 | C4 | C5 | H4 | 116.3° | 121.3° |
| O4 | C4 | C3 | O3 | 7.7° | 24.2° |
| O4 | C4 | C3 | C2 | 136.8° | 143.0° |
| O4 | C4 | C3 | H3 | 106.8° | 98.4° |
| O4 | C4 | C5 | C1 | 117.5° | 119.3° |
| O4 | C4 | C5 | N5 | 2.8° | 0.1° |
| O4 | C4 | C5 | H5 | 116.4° | 121.4° |
| HO4 | O4 | C4 | C3 | 29.0° | 62.8° |
| HO4 | O4 | C4 | C5 | 87.5° | 179.9° |
| HO4 | O4 | C4 | H4 | 146.6° | 58.6° |
| C3 | C4 | C5 | H4 | 117.6° | 119.3° |
| C4 | C3 | O3 | C2 | 121.5° | 114.8° |
| C4 | C3 | O3 | H3 | 123.2° | 122.6° |
| C4 | C3 | C2 | H3 | 123.5° | 118.7° |
| C4 | C3 | O3 | HO3 | 179.8° | 180.0° |
| C4 | C3 | C2 | O2 | 165.8° | 156.4° |
| C4 | C3 | C2 | C1 | 39.2° | 37.9° |
| C4 | C3 | C2 | H2 | 81.7° | 80.3° |
| C3 | C4 | C5 | C1 | 8.5° | 0.0° |
| C3 | C4 | C5 | N5 | 123.3° | 119.2° |
| C3 | C4 | C5 | H5 | 117.5° | 119.3° |
| C5 | C4 | C3 | O3 | 110.1° | 95.2° |
| C5 | C4 | C3 | C2 | 19.0° | 23.6° |
| C5 | C4 | C3 | H3 | 135.5° | 142.3° |
| C4 | C5 | C1 | C2 | 32.5° | 23.6° |
| C4 | C5 | C1 | O1 | 93.3° | 95.1° |
| C4 | C5 | C1 | N5 | 124.9° | 119.3° |
| C4 | C5 | C1 | H5 | 116.2° | 119.4° |
| C4 | C5 | C1 | H1 | 155.4° | 142.3° |
| C4 | C5 | N5 | H5 | 116.4° | 121.5° |
| C4 | C5 | N5 | HN51 | 28.2° | 179.3° |
| C4 | C5 | N5 | HN52 | 91.8° | 65.5° |
| H4 | C4 | C3 | O3 | 124.0° | 145.5° |
| H4 | C4 | C3 | C2 | 106.9° | 95.7° |
| H4 | C4 | C3 | H3 | 9.5° | 23.0° |
| H4 | C4 | C5 | C1 | 126.1° | 119.3° |
| H4 | C4 | C5 | N5 | 119.1° | 121.5° |
| H4 | C4 | C5 | H5 | 0.1° | 0.0° |
| O3 | C3 | C2 | H3 | 113.6° | 122.6° |
| O3 | C3 | C2 | O2 | 42.9° | 37.7° |
| O3 | C3 | C2 | C1 | 83.7° | 80.8° |
| O3 | C3 | C2 | H2 | 155.4° | 160.9° |
| C2 | C3 | O3 | HO3 | 58.8° | 65.2° |
| C3 | C2 | O2 | C1 | 118.4° | 113.4° |
| C3 | C2 | O2 | H2 | 121.6° | 123.3° |
| C3 | C2 | C1 | H2 | 122.4° | 118.3° |
| C3 | C2 | O2 | HO2 | 105.0° | 61.4° |
| C3 | C2 | C1 | O1 | 85.2° | 80.9° |
| C3 | C2 | C1 | C5 | 43.2° | 37.9° |
| C3 | C2 | C1 | H1 | 163.1° | 156.6° |
| H3 | C3 | O3 | HO3 | 56.5° | 57.4° |
| H3 | C3 | C2 | O2 | 70.7° | 84.9° |
| H3 | C3 | C2 | C1 | 162.7° | 156.6° |
| H3 | C3 | C2 | H2 | 41.7° | 38.4° |
| O2 | C2 | C1 | H2 | 112.3° | 123.3° |
| O2 | C2 | C1 | O1 | 40.1° | 37.6° |
| O2 | C2 | C1 | C5 | 168.4° | 156.3° |
| O2 | C2 | C1 | H1 | 71.6° | 84.9° |
| C1 | C2 | O2 | HO2 | 136.6° | 174.9° |
| C2 | C1 | O1 | C5 | 119.6° | 114.8° |
| C2 | C1 | O1 | H1 | 121.9° | 122.5° |
| C2 | C1 | C5 | H1 | 122.9° | 118.7° |
| C2 | C1 | O1 | HO1 | 39.4° | 61.4° |
| C2 | C1 | C5 | N5 | 157.4° | 142.9° |
| C2 | C1 | C5 | H5 | 83.7° | 95.8° |
| H2 | C2 | O2 | HO2 | 16.6° | 61.9° |
| H2 | C2 | C1 | O1 | 152.4° | 160.8° |
| H2 | C2 | C1 | C5 | 79.2° | 80.4° |
| H2 | C2 | C1 | H1 | 40.7° | 38.3° |
| O1 | C1 | C5 | H1 | 111.3° | 122.6° |
| O1 | C1 | C5 | N5 | 31.6° | 24.1° |
| O1 | C1 | C5 | H5 | 150.5° | 145.5° |
| C5 | C1 | O1 | HO1 | 159.0° | 176.2° |
| C1 | C5 | N5 | H5 | 126.0° | 121.3° |
| C1 | C5 | N5 | HN51 | 145.8° | 62.1° |
| C1 | C5 | N5 | HN52 | 25.8° | 51.7° |
| H1 | C1 | O1 | HO1 | 82.5° | 61.1° |
| H1 | C1 | C5 | N5 | 79.7° | 98.5° |
| H1 | C1 | C5 | H5 | 39.2° | 22.9° |
| C5 | N5 | HN51 | HN52 | 120.0° | 113.8° |
| H5 | C5 | N5 | HN51 | 88.2° | 59.2° |
| H5 | C5 | N5 | HN52 | 151.8° | 173.0° |
